| 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 | 44.3 | Very low | 50.1 | Low | 215 Ų | 215 | 123.7 Ų | 123.7 | 100% | 1.059 | 66% | 0.657 | S | S | * | * | 0 | -23.5 | 0 | -78.2 | -176.8 | 146.7 | 0 | 0 | 113.8 | L3 R4 | M1-L3 PolarHBondContact O-N 3.41Å; M1-R4 PolarHBondContact O-N 3.49Å | |||
| 2 | L | 51.1 | Low | 50.2 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 83% | 0.827 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -64 | -26.5 | -176.5 | -71.7 | 158.9 | 0 | 0 | 0 | 116.6 | R4 L6 | L2-R4 VanDerWaalsContact C-N 3.32Å; L2-R4 PolarHBondContact O-N 3.28Å; L2-L6 PolarHBondContact O-N 3.32Å |
| 3 | L | 50.5 | Low | 50.3 | Low | 140 Ų | 140 | 120.2 Ų | 120.2 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.8 | -23 | -175.3 | -158.1 | 69.8 | 0 | 0 | 0 | 113.5 | M1 V7 | M1-L3 PolarHBondContact O-N 3.41Å; L3-V7 VanDerWaalsContact O-CG2 3.3Å; L3-V7 WeakPolarHBondContact O-CG2 3.3Å |
| 4 | R | 50.6 | Low | 50.3 | Low | 194 Ų | 194 | 117 Ų | 117 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85 | -37.9 | -177.2 | -64.7 | -179.6 | 68.1 | -165 | -2.6 | 111.7 | M1 L2 V7 L8 | M1-R4 PolarHBondContact O-N 3.49Å; L2-R4 VanDerWaalsContact C-N 3.32Å; L2-R4 PolarHBondContact O-N 3.28Å; R4-V7 PolarHBondContact O-N 3.39Å; R4-L8 PolarHBondContact O-N 3.49Å; R4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | D | 44.8 | Very low | 50.6 | Low | 120 Ų | 120 | 115.1 Ų | 115.1 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.3 | -36.1 | 173.8 | -83.4 | -76.6 | 0 | 0 | 0 | 112.6 | V7 L8 G9 | D5-V7 VanDerWaalsContact C-N 3.28Å; D5-V7 PolarHBondContact O-N 2.93Å; D5-L8 PolarHBondContact O-N 3.37Å; D5-G9 PolarHBondContact O-N 3.38Å |
| 6 | L | 52.6 | Low | 50.9 | Low | 96 Ų | 96 | 112.8 Ų | 112.8 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.1 | -29.6 | 175.6 | -162.6 | 72.8 | 0 | 0 | 0 | 112.9 | L2 R10 | L2-L6 PolarHBondContact O-N 3.32Å; L6-R10 WeakPolarHBondContact O-CB 3.29Å |
| 7 | V | 53.8 | Low | 51.3 | Low | 75 Ų | 75 | 111.6 Ų | 111.6 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -79.6 | -34.8 | 177.2 | 166.1 | 0 | 0 | 0 | 0 | 111.7 | L3 R4 D5 W14 | L3-V7 VanDerWaalsContact O-CG2 3.3Å; L3-V7 WeakPolarHBondContact O-CG2 3.3Å; R4-V7 PolarHBondContact O-N 3.39Å; D5-V7 VanDerWaalsContact C-N 3.28Å; D5-V7 PolarHBondContact O-N 2.93Å; V7-W14 HydrophobicContact CG2-CH2 4.31Å; V7-W14 HydrophobicContact CG2-CZ2 4.49Å |
| 8 | L | 52 | Low | 51.8 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 78% | 0.775 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.3 | -42.6 | -179 | -127.4 | 71.9 | 0 | 0 | 0 | 112.6 | R4 D5 R10 G11 | R4-L8 PolarHBondContact O-N 3.49Å; R4-L8 VanDerWaalsContact O-N 3.12Å; D5-L8 PolarHBondContact O-N 3.37Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 3.36Å; L8-G11 PolarHBondContact O-N 3.12Å |
| 9 | G | 49.5 | Very low | 52.3 | Low | 70 Ų | 70 | 109.4 Ų | 109.4 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -17.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D5 | D5-G9 PolarHBondContact O-N 3.38Š|
| 10 | R | 49.1 | Very low | 52.6 | Low | 109 Ų | 109 | 110.6 Ų | 110.6 | 41% | 0.411 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.6 | 1.2 | -177.9 | -145.5 | 163.7 | 110 | -169.1 | 6.7 | 112.1 | L6 L8 C12 C13 W14 | L6-R10 WeakPolarHBondContact O-CB 3.29Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 3.36Å; R10-C12 PolarHBondContact O-N 2.85Å; R10-C13 HydrophobicContact CG-CB 4.23Å; R10-C13 CarbonylContact O-C 3.51Å; R10-C13 PolarHBondContact O-N 2.78Å; R10-C13 VanDerWaalsContact O-N 3.13Å; R10-W14 VanDerWaalsContact C-CD1 3.43Å; R10-W14 VanDerWaalsContact NE-NE1 3.14Å; R10-W14 WeakPolarHBondContact O-CB 2.92Å; R10-W14 VanDerWaalsContact O-CG 3.22Å; R10-W14 PolarHBondContact O-N 3.13Å |
| 11 | G | 53.5 | Low | 52.9 | Low | 36 Ų | 36 | 109.2 Ų | 109.2 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -56.9 | -38.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L8 W14 | L8-G11 PolarHBondContact O-N 3.12Å; G11-W14 PolarHBondContact O-N 3.2Å |
| 12 | C | 51.1 | Low | 53.7 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 83% | 0.831 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -36.1 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | R10 | R10-C12 PolarHBondContact O-N 2.85Å |
| 13 | C | 51 | Low | 54.2 | Low | 78 Ų | 78 | 98.4 Ų | 98.4 | 53% | 0.527 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.2 | -22.5 | 172.9 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | R10 S16 L17 | R10-C13 HydrophobicContact CG-CB 4.23Å; R10-C13 CarbonylContact O-C 3.51Å; R10-C13 PolarHBondContact O-N 2.78Å; R10-C13 VanDerWaalsContact O-N 3.13Å; C13-S16 PolarHBondContact O-N 3.28Å; C13-L17 VanDerWaalsContact O-CB 3.28Å; C13-L17 WeakPolarHBondContact O-CB 3.15Å; C13-L17 PolarHBondContact O-N 3.1Å |
| 14 | W | 50.7 | Low | 54.8 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 29% | 0.288 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.4 | -38.5 | -176.1 | -82.3 | 31.3 | 0 | 0 | 0 | 112.6 | V7 R10 G11 S16 L17 L18 | V7-W14 HydrophobicContact CG2-CH2 4.31Å; V7-W14 HydrophobicContact CG2-CZ2 4.49Å; R10-W14 VanDerWaalsContact C-CD1 3.43Å; R10-W14 VanDerWaalsContact NE-NE1 3.14Å; R10-W14 WeakPolarHBondContact O-CB 2.92Å; R10-W14 VanDerWaalsContact O-CG 3.22Å; R10-W14 PolarHBondContact O-N 3.13Å; G11-W14 PolarHBondContact O-N 3.2Å; W14-S16 VanDerWaalsContact C-N 3.27Å; W14-S16 PolarHBondContact O-N 3.12Å; W14-L17 PolarHBondContact O-N 2.94Å; W14-L18 WeakPolarHBondContact O-CB 3.03Å; W14-L18 WeakPolarHBondContact O-CD1 3.47Å; W14-L18 WeakPolarHBondContact O-CG 3.29Å; W14-L18 PolarHBondContact O-N 2.96Å |
| 15 | S | 54.5 | Low | 55.3 | Low | 89 Ų | 89 | 92.9 Ų | 92.9 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 172.6 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L19 | S15-L19 VanDerWaalsContact O-CB 3.25Å; S15-L19 WeakPolarHBondContact O-CB 3.41Å; S15-L19 PolarHBondContact O-N 2.79Å |
| 16 | S | 55.5 | Low | 56.1 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 175.1 | -118.6 | 0 | 0 | 0 | 0 | 112.4 | C13 W14 L19 H20 | C13-S16 PolarHBondContact O-N 3.28Å; W14-S16 VanDerWaalsContact C-N 3.27Å; W14-S16 PolarHBondContact O-N 3.12Å; S16-L19 PolarHBondContact O-N 3.27Å; S16-H20 WeakPolarHBondContact O-CB 3.48Å; S16-H20 PolarHBondContact O-N 2.98Å |
| 17 | L | 57.4 | Low | 56.4 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 179 | -142.4 | 85.9 | 0 | 0 | 0 | 111.5 | C13 W14 H20 C21 | C13-L17 VanDerWaalsContact O-CB 3.28Å; C13-L17 WeakPolarHBondContact O-CB 3.15Å; C13-L17 PolarHBondContact O-N 3.1Å; W14-L17 PolarHBondContact O-N 2.94Å; L17-H20 PolarHBondContact O-N 2.97Å; L17-C21 VanDerWaalsContact O-CB 3.23Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.18Å; L17-C21 PolarHBondContact O-SG 3.41Å |
| 18 | L | 61.2 | Low | 56.9 | Low | 70 Ų | 70 | 94.1 Ų | 94.1 | 37% | 0.366 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175 | -74.6 | 168.9 | 0 | 0 | 0 | 111.1 | W14 H20 C21 A22 F106 | W14-L18 WeakPolarHBondContact O-CB 3.03Å; W14-L18 WeakPolarHBondContact O-CD1 3.47Å; W14-L18 WeakPolarHBondContact O-CG 3.29Å; W14-L18 PolarHBondContact O-N 2.96Å; L18-H20 VanDerWaalsContact C-N 3.34Å; L18-C21 CarbonylContact O-C 3.56Å; L18-C21 PolarHBondContact O-N 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 2.82Å; L18-F106 HydrophobicContact CD2-CE2 3.7Å; L18-F106 HydrophobicContact CD2-CZ 4.23Å |
| 19 | L | 61.5 | Low | 57.2 | Low | 112 Ų | 112 | 94.1 Ų | 94.1 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 173.3 | -168.4 | 69 | 0 | 0 | 0 | 110.6 | S15 S16 C21 A22 L23 | S15-L19 VanDerWaalsContact O-CB 3.25Å; S15-L19 WeakPolarHBondContact O-CB 3.41Å; S15-L19 PolarHBondContact O-N 2.79Å; S16-L19 PolarHBondContact O-N 3.27Å; L19-C21 VanDerWaalsContact C-N 3.35Å; L19-C21 PolarHBondContact O-N 3.32Å; L19-A22 PolarHBondContact O-N 2.82Å; L19-L23 HydrophobicContact CD2-CD1 4.5Å; L19-L23 HydrophobicContact CG-CD1 3.87Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CD1 3.33Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 2.87Å |
| 20 | H | 58.4 | Low | 57.7 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | 173.9 | -126.8 | -84.9 | 0 | 0 | 0 | 112 | S16 L17 L18 A22 L23 H24 | S16-H20 WeakPolarHBondContact O-CB 3.48Å; S16-H20 PolarHBondContact O-N 2.98Å; L17-H20 PolarHBondContact O-N 2.97Å; L18-H20 VanDerWaalsContact C-N 3.34Å; H20-A22 VanDerWaalsContact C-N 3.32Å; H20-A22 PolarHBondContact O-N 2.81Å; H20-L23 PolarHBondContact O-N 2.61Å; H20-H24 WeakPolarHBondContact O-CB 3.21Å; H20-H24 PolarHBondContact O-N 3.37Å |
| 21 | C | 59 | Low | 58.1 | Low | 82 Ų | 82 | 95.2 Ų | 95.2 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.5 | -22.9 | 176.6 | -75.2 | 0 | 0 | 0 | 0 | 113.2 | L17 L18 L19 P25 | L17-C21 VanDerWaalsContact O-CB 3.23Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.18Å; L17-C21 PolarHBondContact O-SG 3.41Å; L18-C21 CarbonylContact O-C 3.56Å; L18-C21 PolarHBondContact O-N 3.31Å; L19-C21 VanDerWaalsContact C-N 3.35Å; L19-C21 PolarHBondContact O-N 3.32Å; C21-P25 WeakPolarHBondContact O-CD 3.44Å; C21-P25 VanDerWaalsContact O-CG 3.25Å; C21-P25 WeakPolarHBondContact O-CG 3.28Å |
| 22 | A | 61 | Low | 58.3 | Low | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -85 | -33.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L18 L19 H20 P25 L26 | L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 2.82Å; L19-A22 PolarHBondContact O-N 2.82Å; H20-A22 VanDerWaalsContact C-N 3.32Å; H20-A22 PolarHBondContact O-N 2.81Å; A22-P25 WeakPolarHBondContact O-CD 3.1Å; A22-L26 WeakPolarHBondContact O-CD1 3.39Å |
| 23 | L | 59.9 | Low | 58.5 | Low | 93 Ų | 93 | 97.9 Ų | 97.9 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.6 | -30.5 | 176.3 | -74.4 | 161.6 | 0 | 0 | 0 | 112.6 | L19 H20 L26 W27 | L19-L23 HydrophobicContact CD2-CD1 4.5Å; L19-L23 HydrophobicContact CG-CD1 3.87Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CD1 3.33Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 2.87Å; H20-L23 PolarHBondContact O-N 2.61Å; L23-L26 PolarHBondContact O-N 2.77Å; L23-W27 WeakPolarHBondContact O-CB 3.14Å; L23-W27 PolarHBondContact O-N 3.1Å |
| 24 | H | 63.6 | Low | 58.4 | Low | 137 Ų | 137 | 102 Ų | 102 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | -177.9 | -156.8 | -79.7 | 0 | 0 | 0 | 114.1 | H20 W27 G28 | H20-H24 WeakPolarHBondContact O-CB 3.21Å; H20-H24 PolarHBondContact O-N 3.37Å; H24-W27 PolarHBondContact O-N 3.3Å; H24-G28 PolarHBondContact O-N 2.93Å |
| 25 | P | 61.9 | Low | 58 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 53% | 0.526 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 170.3 | -22.6 | 32.7 | 0 | 0 | 0 | 112.5 | C21 A22 G28 F29 | C21-P25 WeakPolarHBondContact O-CD 3.44Å; C21-P25 VanDerWaalsContact O-CG 3.25Å; C21-P25 WeakPolarHBondContact O-CG 3.28Å; A22-P25 WeakPolarHBondContact O-CD 3.1Å; P25-G28 PolarHBondContact O-N 2.85Å; P25-F29 WeakPolarHBondContact O-CB 3.37Å; P25-F29 PolarHBondContact O-N 2.76Å |
| 26 | L | 60 | Low | 57.6 | Low | 112 Ų | 112 | 103 Ų | 103 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 176 | -85 | 158.8 | 0 | 0 | 0 | 111.7 | A22 L23 F29 V30 | A22-L26 WeakPolarHBondContact O-CD1 3.39Å; L23-L26 PolarHBondContact O-N 2.77Å; L26-F29 WeakPolarHBondContact O-CB 3.32Å; L26-F29 PolarHBondContact O-N 3.38Å; L26-V30 WeakPolarHBondContact O-CG2 3.23Å; L26-V30 PolarHBondContact O-N 3.33Å |
| 27 | W | 60.3 | Low | 57.1 | Low | 175 Ų | 175 | 104.7 Ų | 104.7 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.2 | -38.6 | 174.6 | -170 | -96.4 | 0 | 0 | 0 | 112.1 | L23 H24 V30 Q31 | L23-W27 WeakPolarHBondContact O-CB 3.14Å; L23-W27 PolarHBondContact O-N 3.1Å; H24-W27 PolarHBondContact O-N 3.3Å; W27-V30 PolarHBondContact O-N 3.43Å; W27-Q31 PolarHBondContact O-N 2.78Å |
| 28 | G | 63.1 | Low | 56.4 | Low | 30 Ų | 30 | 107.3 Ų | 107.3 | 31% | 0.309 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -37.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H24 P25 Q31 V32 | H24-G28 PolarHBondContact O-N 2.93Å; P25-G28 PolarHBondContact O-N 2.85Å; G28-Q31 PolarHBondContact O-N 3.33Å; G28-V32 PolarHBondContact O-N 2.94Å |
| 29 | F | 58.3 | Low | 55.7 | Low | 149 Ų | 149 | 112.5 Ų | 112.5 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.6 | -42.8 | 175.5 | -130.2 | -96.9 | 0 | 0 | 0 | 111.6 | P25 L26 Q31 V32 T33 | P25-F29 WeakPolarHBondContact O-CB 3.37Å; P25-F29 PolarHBondContact O-N 2.76Å; L26-F29 WeakPolarHBondContact O-CB 3.32Å; L26-F29 PolarHBondContact O-N 3.38Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 2.92Å; F29-V32 PolarHBondContact O-N 3.16Å; F29-T33 HydrophobicContact CD1-CG2 4.46Å; F29-T33 WeakPolarHBondContact O-CG2 3.3Å; F29-T33 PolarHBondContact O-N 3.29Å; F29-T33 PolarHBondContact O-OG1 2.94Å |
| 30 | V | 61 | Low | 54.8 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65 | -36.4 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 111 | L26 W27 T33 H34 | L26-V30 WeakPolarHBondContact O-CG2 3.23Å; L26-V30 PolarHBondContact O-N 3.33Å; W27-V30 PolarHBondContact O-N 3.43Å; V30-T33 WeakPolarHBondContact CA-OG1 3.27Å; V30-T33 PolarHBondContact O-N 2.83Å; V30-T33 PolarHBondContact O-OG1 3.21Å; V30-H34 WeakPolarHBondContact O-CA 3.22Å; V30-H34 WeakPolarHBondContact O-CB 3.42Å; V30-H34 PolarHBondContact O-N 2.76Å |
| 31 | Q | 58 | Low | 54.1 | Low | 119 Ų | 119 | 111.5 Ų | 111.5 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.5 | -35.2 | 171.7 | -79.3 | -177.8 | 51.5 | 0 | 0 | 113.1 | W27 G28 F29 G35 | W27-Q31 PolarHBondContact O-N 2.78Å; G28-Q31 PolarHBondContact O-N 3.33Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 2.92Å; Q31-G35 WeakPolarHBondContact O-CA 3.49Å; Q31-G35 PolarHBondContact O-N 2.75Å |
| 32 | V | 56.8 | Low | 53.5 | Low | 115 Ų | 115 | 112 Ų | 112 | 70% | 0.697 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.2 | -31.8 | 174.6 | 157.4 | 0 | 0 | 0 | 0 | 112 | G28 F29 | G28-V32 PolarHBondContact O-N 2.94Å; F29-V32 PolarHBondContact O-N 3.16Å |
| 33 | T | 55.2 | Low | 52.4 | Low | 101 Ų | 101 | 117.9 Ų | 117.9 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88 | -21.9 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | F29 V30 | F29-T33 HydrophobicContact CD1-CG2 4.46Å; F29-T33 WeakPolarHBondContact O-CG2 3.3Å; F29-T33 PolarHBondContact O-N 3.29Å; F29-T33 PolarHBondContact O-OG1 2.94Å; V30-T33 WeakPolarHBondContact CA-OG1 3.27Å; V30-T33 PolarHBondContact O-N 2.83Å; V30-T33 PolarHBondContact O-OG1 3.21Å |
| 34 | H | 48.3 | Very low | 51.6 | Low | 163 Ų | 163 | 120.4 Ų | 120.4 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -109.9 | -9.9 | -176.3 | -144.5 | -134.5 | 0 | 0 | 0 | 113.4 | V30 E36 | V30-H34 WeakPolarHBondContact O-CA 3.22Å; V30-H34 WeakPolarHBondContact O-CB 3.42Å; V30-H34 PolarHBondContact O-N 2.76Å; H34-E36 PolarHBondContact O-N 3.48Å |
| 35 | G | 42.7 | Very low | 50.7 | Low | 47 Ų | 47 | 118.5 Ų | 118.5 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | trans | -73.4 | 80.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q31 P37 | Q31-G35 WeakPolarHBondContact O-CA 3.49Å; Q31-G35 PolarHBondContact O-N 2.75Å; G35-P37 WeakPolarHBondContact O-CD 3.01Å | ||
| 36 | E | 46.8 | Very low | 50.1 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | trans | -43.9 | 121.7 | 153.3 | -145.6 | -77.7 | 115.1 | 0 | 0 | 106.7 | H34 Q38 | H34-E36 PolarHBondContact O-N 3.48Å; E36-Q38 PolarHBondContact O-N 3.31Å | ||
| 37 | P | 45.6 | Very low | 49.5 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 74% | 0.74 | 66% | 0.663 | S | S | * | * | trans | -66.8 | 86.4 | 175.8 | 10.3 | -5.2 | 0 | 0 | 0 | 108.3 | G35 K39 | G35-P37 WeakPolarHBondContact O-CD 3.01Å; P37-K39 PolarHBondContact O-N 3.38Å | ||
| 38 | Q | 41.3 | Very low | 48.8 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | -56.2 | 101.3 | 167.8 | -101.7 | -81.9 | -56.2 | 0 | 0 | 108.1 | E36 | E36-Q38 PolarHBondContact O-N 3.31Š| ||
| 39 | K | 48 | Very low | 48.1 | Very low | 179 Ų | 179 | 123.5 Ų | 123.5 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | trans | 40.4 | 99.1 | 153.6 | -80.6 | 166.6 | 167.5 | 162 | 0 | 115.8 | P37 | P37-K39 PolarHBondContact O-N 3.38Š| ||
| 40 | S | 41.6 | Very low | 47.8 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -141.9 | 96.3 | 132.6 | -164.4 | 0 | 0 | 0 | 0 | 109.4 | S42 | S40-S42 PolarHBondContact O-N 2.84Å; S40-S42 WeakPolarHBondContact OG-CB 3.29Å | ||
| 41 | C | 44.4 | Very low | 47.1 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -67.8 | 76.9 | 161.3 | -172.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 42 | S | 45.2 | Very low | 46.5 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | trans | -128.2 | 48.6 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | S40 | S40-S42 PolarHBondContact O-N 2.84Å; S40-S42 WeakPolarHBondContact OG-CB 3.29Å | ||
| 43 | K | 37.6 | Very low | 46.1 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | trans | -163.1 | 106.8 | 146.8 | -141.9 | 167.8 | 166.1 | 72.5 | 0 | 108.1 | T45 | K43-T45 VanDerWaalsContact C-N 3.29Å; K43-T45 PolarHBondContact O-N 3.16Å | ||
| 44 | V | 44.7 | Very low | 45.6 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 89% | 0.885 | 71% | 0.709 | S | S | * | * | trans | -61.8 | 95.7 | 166.3 | 167.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 45 | T | 43 | Very low | 45.5 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | trans | -144.1 | 106.1 | 166.8 | -60.1 | 0 | 0 | 0 | 0 | 105.8 | K43 S47 | K43-T45 VanDerWaalsContact C-N 3.29Å; K43-T45 PolarHBondContact O-N 3.16Å; T45-S47 PolarHBondContact O-N 3.31Å | ||
| 46 | D | 50.6 | Low | 46 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 15.8 | -27.9 | 167.6 | -132 | -110.6 | 0 | 0 | 0 | 122.2 | C48 R49 | D46-C48 VanDerWaalsContact C-N 3.26Å; D46-C48 PolarHBondContact O-N 3.41Å; D46-R49 PolarHBondContact O-N 2.98Å |
| 47 | S | 47.7 | Very low | 46.3 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -70.1 | -11.9 | -176.8 | -166 | 0 | 0 | 0 | 0 | 114.9 | T45 R49 | T45-S47 PolarHBondContact O-N 3.31Å; S47-R49 VanDerWaalsContact C-N 3.26Å; S47-R49 PolarHBondContact O-N 2.84Å |
| 48 | C | 46 | Very low | 46.7 | Very low | 72 Ų | 72 | 134 Ų | 134 | 49% | 0.486 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -76 | -9.1 | 175.7 | -162.8 | 0 | 0 | 0 | 0 | 113.5 | D46 H50 | D46-C48 VanDerWaalsContact C-N 3.26Å; D46-C48 PolarHBondContact O-N 3.41Å; C48-H50 PolarHBondContact O-N 3.42Å |
| 49 | R | 46.4 | Very low | 47.5 | Very low | 201 Ų | 201 | 133 Ų | 133 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -70.6 | -15.3 | -177.4 | -70.4 | -172.7 | 97.6 | 171.3 | 5.5 | 114.6 | D46 S47 | D46-R49 PolarHBondContact O-N 2.98Å; S47-R49 VanDerWaalsContact C-N 3.26Å; S47-R49 PolarHBondContact O-N 2.84Å |
| 50 | H | 52.3 | Low | 48.2 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -101.2 | -14.3 | -175.4 | -67.9 | -66.6 | 0 | 0 | 0 | 115 | C48 | C48-H50 PolarHBondContact O-N 3.42Š|
| 51 | V | 46.3 | Very low | 49.3 | Very low | 132 Ų | 132 | 132 Ų | 132 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -19.6 | -175.2 | 173.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 52 | C | 45.2 | Very low | 50.1 | Low | 65 Ų | 65 | 132.1 Ų | 132.1 | 44% | 0.439 | 73% | 0.734 | S | S | . | * | trans | -102.5 | 108.9 | 175.6 | -67 | 0 | 0 | 0 | 0 | 111 | C54 | C52-C54 PolarHBondContact O-N 2.96Š| ||
| 53 | Q | 48.7 | Very low | 51 | Low | 205 Ų | 205 | 133 Ų | 133 | 96% | 0.958 | 74% | 0.738 | S | S | * | * | trans | -64.7 | 75.3 | 156.8 | -77.9 | -167.6 | 28.9 | 0 | 0 | 109.2 | R55 | Q53-R55 PolarHBondContact O-N 3.33Š| ||
| 54 | C | 45.6 | Very low | 52.3 | Low | 105 Ų | 105 | 130.1 Ų | 130.1 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | trans | -74.4 | 104 | 166.8 | -73.5 | 0 | 0 | 0 | 0 | 107.5 | C52 P56 | C52-C54 PolarHBondContact O-N 2.96Å; C54-P56 WeakPolarHBondContact O-CD 3.48Å | ||
| 55 | R | 45.9 | Very low | 53.3 | Low | 238 Ų | 238 | 129.1 Ų | 129.1 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 119.7 | 170.8 | -172 | 176 | -177.2 | 176.3 | 0.9 | 108.5 | Q53 | Q53-R55 PolarHBondContact O-N 3.33Š|
| 56 | P | 53.9 | Low | 54.4 | Low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.6 | 178.5 | -19.1 | 31 | 0 | 0 | 0 | 110.3 | C54 | C54-P56 WeakPolarHBondContact O-CD 3.48Š|
| 57 | P | 52.8 | Low | 55.1 | Low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -63 | 150.4 | 169.1 | 25.9 | -30.9 | 0 | 0 | 0 | 110.2 | ||
| 58 | P | 52.8 | Low | 56 | Low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61 | 145 | -177.8 | 25 | -32.8 | 0 | 0 | 0 | 111.1 | L60 | P58-L60 PolarHBondContact O-N 2.86Š|
| 59 | P | 59.2 | Low | 56.6 | Low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.2 | -177.7 | 26.2 | -32 | 0 | 0 | 0 | 110.7 | ||
| 60 | L | 61.5 | Low | 57 | Low | 154 Ų | 154 | 128.2 Ų | 128.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 153 | 166.5 | -87.2 | 81.4 | 0 | 0 | 0 | 110.1 | P58 | P58-L60 PolarHBondContact O-N 2.86Š|
| 61 | P | 64.5 | Low | 57.2 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 144.3 | 177.8 | 23.4 | -32.7 | 0 | 0 | 0 | 111.3 | ||
| 62 | P | 62.4 | Low | 57.2 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.1 | -174.9 | 25.5 | -32.8 | 0 | 0 | 0 | 110.6 | ||
| 63 | P | 64.6 | Low | 57.6 | Low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 149.7 | 168.9 | 26.7 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 64 | P | 65.1 | Low | 57.3 | Low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 148.4 | 179.3 | 23.8 | -33.1 | 0 | 0 | 0 | 111.6 | P66 | P64-P66 WeakPolarHBondContact O-CD 3.35Š|
| 65 | P | 65.1 | Low | 57.2 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 126.6 | -174.5 | 25 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 66 | P | 66.6 | Low | 57.4 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 149.3 | 169.8 | 28.4 | -31 | 0 | 0 | 0 | 111.5 | P64 | P64-P66 WeakPolarHBondContact O-CD 3.35Š|
| 67 | P | 64.3 | Low | 56.9 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65 | 152 | 179.8 | 26 | -33.4 | 0 | 0 | 0 | 112.8 | ||
| 68 | P | 66.6 | Low | 56.4 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 133.8 | -176.6 | 25.1 | -32.4 | 0 | 0 | 0 | 112.5 | ||
| 69 | P | 59.7 | Low | 56.3 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 144.9 | 175.2 | -5.6 | 20.9 | 0 | 0 | 0 | 112.1 | ||
| 70 | P | 53.6 | Low | 55.6 | Low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 133.9 | 173.8 | -19.3 | 31 | 0 | 0 | 0 | 112.2 | L72 | P70-L72 PolarHBondContact O-N 2.96Å; P70-L72 VanDerWaalsContact O-N 3.16Å |
| 71 | R | 57.1 | Low | 54.6 | Low | 241 Ų | 241 | 125.4 Ų | 125.4 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 105.4 | 173.4 | -71.1 | -174.1 | 169.1 | -175.4 | -3 | 109.9 | ||||
| 72 | L | 46.9 | Very low | 53.6 | Low | 162 Ų | 162 | 124.8 Ų | 124.8 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -110.8 | 121.2 | 164.8 | -70 | 177.9 | 0 | 0 | 0 | 109.8 | P70 S74 | P70-L72 PolarHBondContact O-N 2.96Å; P70-L72 VanDerWaalsContact O-N 3.16Å; L72-S74 PolarHBondContact O-N 3.46Å | ||
| 73 | L | 52.4 | Low | 52.4 | Low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -58 | 120.4 | 171.5 | -77.6 | 71.6 | 0 | 0 | 0 | 110.1 | ||||
| 74 | S | 42.2 | Very low | 51.4 | Low | 123 Ų | 123 | 123 Ų | 123 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 179.3 | 135 | 159.7 | -79.8 | 0 | 0 | 0 | 0 | 106.6 | L72 | L72-S74 PolarHBondContact O-N 3.46Š| ||
| 75 | A | 44.1 | Very low | 50.7 | Low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | cis | -158.9 | 169.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | A77 | A75-A77 PolarHBondContact O-N 3.48Š| ||
| 76 | P | 48.9 | Very low | 50.2 | Low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | -64 | 130.6 | 177.6 | -15.4 | 29.4 | 0 | 0 | 0 | 110.8 | ||||
| 77 | A | 43.7 | Very low | 49.7 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -58.7 | 132.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A75 N79 | A75-A77 PolarHBondContact O-N 3.48Å; A77-N79 PolarHBondContact O-N 2.85Å; A77-N79 VanDerWaalsContact O-N 3.17Å | ||
| 78 | P | 44 | Very low | 49.5 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -69.7 | 114.6 | 174.6 | 28.4 | -30.7 | 0 | 0 | 0 | 108.8 | S80 | P78-S80 PolarHBondContact O-N 2.91Å; P78-S80 PolarHBondContact O-OG 3.42Å | ||
| 79 | N | 50.6 | Low | 49.6 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | 1.2 | 83 | 139 | 52.7 | -12 | 0 | 0 | 0 | 114.4 | A77 T81 | A77-N79 PolarHBondContact O-N 2.85Å; A77-N79 VanDerWaalsContact O-N 3.17Å; N79-T81 VanDerWaalsContact C-N 3.26Å; N79-T81 PolarHBondContact O-N 3.41Å | ||
| 80 | S | 43.3 | Very low | 50.2 | Low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -82.5 | 86 | 168.2 | -61.5 | 0 | 0 | 0 | 0 | 107.5 | P78 S82 | P78-S80 PolarHBondContact O-N 2.91Å; P78-S80 PolarHBondContact O-OG 3.42Å; S80-S82 PolarHBondContact O-N 3.28Å | ||
| 81 | T | 40.8 | Very low | 51.2 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | trans | -26.6 | 124.5 | 161.6 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | N79 C83 | N79-T81 VanDerWaalsContact C-N 3.26Å; N79-T81 PolarHBondContact O-N 3.41Å; T81-C83 PolarHBondContact O-N 3.46Å | ||
| 82 | S | 42.8 | Very low | 52.4 | Low | 95 Ų | 95 | 112.4 Ų | 112.4 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | trans | -28.2 | 119.1 | 159.3 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | S80 P84 | S80-S82 PolarHBondContact O-N 3.28Å; S82-P84 WeakPolarHBondContact O-CD 3.23Å | ||
| 83 | C | 37.6 | Very low | 54.1 | Low | 118 Ų | 118 | 109 Ų | 109 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -73.7 | 112 | 155.5 | -70.2 | 0 | 0 | 0 | 0 | 105.8 | T81 T85 | T81-C83 PolarHBondContact O-N 3.46Å; C83-T85 PolarHBondContact O-N 3.23Å; C83-T85 VanDerWaalsContact O-N 3.11Å | ||
| 84 | P | 44.9 | Very low | 55.7 | Low | 78 Ų | 78 | 105.6 Ų | 105.6 | 51% | 0.506 | 64% | 0.641 | S | S | . | * | trans | -70 | 112.3 | 170.6 | 30.3 | -30 | 0 | 0 | 0 | 106.5 | S82 E86 | S82-P84 WeakPolarHBondContact O-CD 3.23Å; P84-E86 HydrophobicContact CB-CB 4.04Å; P84-E86 HydrophobicContact CB-CG 3.89Å; P84-E86 PolarHBondContact O-N 2.94Å | ||
| 85 | T | 50 | Low | 57.7 | Low | 129 Ų | 129 | 104.9 Ų | 104.9 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | trans | -71.1 | 56.4 | 158.6 | -54.3 | 0 | 0 | 0 | 0 | 108 | C83 | C83-T85 PolarHBondContact O-N 3.23Å; C83-T85 VanDerWaalsContact O-N 3.11Å | ||
| 86 | E | 54.3 | Low | 59.7 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 44% | 0.439 | 62% | 0.62 | S | S | . | * | trans | -102.2 | 6.9 | 179.9 | -76.6 | -167.4 | 116.3 | 0 | 0 | 112.2 | P84 W89 W90 | P84-E86 HydrophobicContact CB-CB 4.04Å; P84-E86 HydrophobicContact CB-CG 3.89Å; P84-E86 PolarHBondContact O-N 2.94Å; E86-W89 HydrophobicContact CB-CZ2 4.44Å; E86-W89 HydrophobicContact CG-CZ2 4.02Å; E86-W89 PolarHBondContact O-NE1 3.42Å; E86-W89 WeakPolarHBondContact OE1-CZ2 3.25Å; E86-W90 VanDerWaalsContact O-CD1 3.25Å | ||
| 87 | E | 56.4 | Low | 61.7 | Low | 137 Ų | 137 | 104.8 Ų | 104.8 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -87.2 | -12.7 | -177.5 | -54.3 | -57.3 | 146.6 | 0 | 0 | 113.6 | S91 | E87-S91 PolarHBondContact O-OG 3.48Å |
| 88 | S | 59.3 | Low | 63.8 | Low | 87 Ų | 87 | 103.1 Ų | 103.1 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.9 | -39.3 | -174 | 77.9 | 0 | 0 | 0 | 0 | 113.6 | G92 | S88-G92 PolarHBondContact O-N 2.87Å; S88-G92 VanDerWaalsContact O-N 3.15Å |
| 89 | W | 68.9 | Low | 66.1 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 53% | 0.53 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.8 | -35.7 | -175.9 | 63.9 | -9.7 | 0 | 0 | 0 | 113.9 | E86 G92 L93 | E86-W89 HydrophobicContact CB-CZ2 4.44Å; E86-W89 HydrophobicContact CG-CZ2 4.02Å; E86-W89 PolarHBondContact O-NE1 3.42Å; E86-W89 WeakPolarHBondContact OE1-CZ2 3.25Å; W89-G92 PolarHBondContact O-N 2.9Å; W89-L93 WeakPolarHBondContact O-CG 3.4Å; W89-L93 PolarHBondContact O-N 3.44Å |
| 90 | W | 72.9 | Confident | 68 | Low | 159 Ų | 159 | 98.9 Ų | 98.9 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -41.5 | 175.5 | -72.2 | 112.6 | 0 | 0 | 0 | 110.2 | E86 G92 L93 V94 | E86-W90 VanDerWaalsContact O-CD1 3.25Å; W90-G92 VanDerWaalsContact C-N 3.34Å; W90-G92 PolarHBondContact O-N 3.43Å; W90-L93 PolarHBondContact O-N 3.49Å; W90-V94 WeakPolarHBondContact O-CB 3.34Å; W90-V94 VanDerWaalsContact O-CG2 3.24Å; W90-V94 WeakPolarHBondContact O-CG2 3.27Å; W90-V94 PolarHBondContact O-N 2.87Å |
| 91 | S | 74.9 | Confident | 70.2 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.2 | -44.2 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | E87 V94 I95 | E87-S91 PolarHBondContact O-OG 3.48Å; S91-V94 PolarHBondContact O-N 3.23Å; S91-I95 WeakPolarHBondContact O-CD1 3.46Å; S91-I95 WeakPolarHBondContact O-CG1 3.26Å; S91-I95 PolarHBondContact O-N 2.92Å |
| 92 | G | 80.4 | Confident | 72.5 | Confident | 27 Ų | 27 | 93.8 Ų | 93.8 | 28% | 0.278 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | S88 W89 W90 I95 I96 | S88-G92 PolarHBondContact O-N 2.87Å; S88-G92 VanDerWaalsContact O-N 3.15Å; W89-G92 PolarHBondContact O-N 2.9Å; W90-G92 VanDerWaalsContact C-N 3.34Å; W90-G92 PolarHBondContact O-N 3.43Å; G92-I95 PolarHBondContact O-N 3.24Å; G92-I96 WeakPolarHBondContact O-CD1 3.44Å; G92-I96 WeakPolarHBondContact O-CG1 3.36Å; G92-I96 PolarHBondContact O-N 2.8Å |
| 93 | L | 83.9 | Confident | 74.7 | Confident | 90 Ų | 90 | 92 Ų | 92 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.6 | -72.2 | 171.8 | 0 | 0 | 0 | 112.2 | W89 W90 I95 I96 I97 | W89-L93 WeakPolarHBondContact O-CG 3.4Å; W89-L93 PolarHBondContact O-N 3.44Å; W90-L93 PolarHBondContact O-N 3.49Å; L93-I95 VanDerWaalsContact C-N 3.32Å; L93-I95 PolarHBondContact O-N 2.84Å; L93-I96 PolarHBondContact O-N 2.83Å; L93-I97 WeakPolarHBondContact O-CB 3.31Å; L93-I97 WeakPolarHBondContact O-CD1 3.48Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 2.92Å |
| 94 | V | 85.1 | Confident | 77.2 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | W90 S91 I97 A98 | W90-V94 WeakPolarHBondContact O-CB 3.34Å; W90-V94 VanDerWaalsContact O-CG2 3.24Å; W90-V94 WeakPolarHBondContact O-CG2 3.27Å; W90-V94 PolarHBondContact O-N 2.87Å; S91-V94 PolarHBondContact O-N 3.23Å; V94-I97 PolarHBondContact O-N 3.26Å; V94-A98 VanDerWaalsContact O-CB 3.28Å; V94-A98 WeakPolarHBondContact O-CB 3.31Å; V94-A98 PolarHBondContact O-N 2.76Å |
| 95 | I | 85.7 | Confident | 79.3 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 55% | 0.554 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 175.9 | -66.2 | 162 | 0 | 0 | 0 | 110.5 | S91 G92 L93 I97 A98 V99 | S91-I95 WeakPolarHBondContact O-CD1 3.46Å; S91-I95 WeakPolarHBondContact O-CG1 3.26Å; S91-I95 PolarHBondContact O-N 2.92Å; G92-I95 PolarHBondContact O-N 3.24Å; L93-I95 VanDerWaalsContact C-N 3.32Å; L93-I95 PolarHBondContact O-N 2.84Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-I97 PolarHBondContact O-N 3.28Å; I95-A98 PolarHBondContact O-N 3.47Å; I95-V99 HydrophobicContact CG2-CG2 4.34Å; I95-V99 WeakPolarHBondContact O-CB 3.43Å; I95-V99 VanDerWaalsContact O-CG2 3.28Å; I95-V99 WeakPolarHBondContact O-CG2 3.24Å; I95-V99 PolarHBondContact O-N 2.81Å |
| 96 | I | 86.2 | Confident | 80.9 | Confident | 111 Ų | 111 | 90.4 Ų | 90.4 | 57% | 0.569 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | 178.4 | -67.6 | 162.9 | 0 | 0 | 0 | 110.4 | G92 L93 V99 C100 | G92-I96 WeakPolarHBondContact O-CD1 3.44Å; G92-I96 WeakPolarHBondContact O-CG1 3.36Å; G92-I96 PolarHBondContact O-N 2.8Å; L93-I96 PolarHBondContact O-N 2.83Å; I96-V99 PolarHBondContact O-N 3.32Å; I96-C100 WeakPolarHBondContact O-CB 3.33Å; I96-C100 PolarHBondContact O-N 2.82Å |
| 97 | I | 90.9 | Very high | 82.4 | Confident | 101 Ų | 101 | 90.5 Ų | 90.5 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 177.3 | -68.5 | 162.4 | 0 | 0 | 0 | 109.9 | L93 V94 I95 V99 C100 C101 | L93-I97 WeakPolarHBondContact O-CB 3.31Å; L93-I97 WeakPolarHBondContact O-CD1 3.48Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 2.92Å; V94-I97 PolarHBondContact O-N 3.26Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-I97 PolarHBondContact O-N 3.28Å; I97-V99 PolarHBondContact O-N 2.83Å; I97-C100 PolarHBondContact O-N 3Å; I97-C101 VanDerWaalsContact O-CB 3.31Å; I97-C101 WeakPolarHBondContact O-CB 3.38Å; I97-C101 PolarHBondContact O-N 3.38Å; I97-C101 PolarHBondContact O-SG 3.33Å |
| 98 | A | 87.3 | Confident | 83.7 | Confident | 57 Ų | 57 | 87.7 Ų | 87.7 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V94 I95 A102 | V94-A98 VanDerWaalsContact O-CB 3.28Å; V94-A98 WeakPolarHBondContact O-CB 3.31Å; V94-A98 PolarHBondContact O-N 2.76Å; I95-A98 PolarHBondContact O-N 3.47Å; A98-A102 VanDerWaalsContact O-CB 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.44Å; A98-A102 PolarHBondContact O-N 3.36Å |
| 99 | V | 92.1 | Very high | 84.9 | Confident | 84 Ų | 84 | 86.9 Ų | 86.9 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I95 I96 I97 A102 S103 | I95-V99 HydrophobicContact CG2-CG2 4.34Å; I95-V99 WeakPolarHBondContact O-CB 3.43Å; I95-V99 VanDerWaalsContact O-CG2 3.28Å; I95-V99 WeakPolarHBondContact O-CG2 3.24Å; I95-V99 PolarHBondContact O-N 2.81Å; I96-V99 PolarHBondContact O-N 3.32Å; I97-V99 PolarHBondContact O-N 2.83Å; V99-A102 PolarHBondContact O-N 3.28Å; V99-S103 WeakPolarHBondContact O-CB 3.33Å; V99-S103 PolarHBondContact O-N 2.85Å; V99-S103 PolarHBondContact O-OG 2.95Å |
| 100 | C | 91.1 | Very high | 85.7 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 178 | -164.6 | 0 | 0 | 0 | 0 | 110.9 | I96 I97 A102 S103 L104 | I96-C100 WeakPolarHBondContact O-CB 3.33Å; I96-C100 PolarHBondContact O-N 2.82Å; I97-C100 PolarHBondContact O-N 3Å; C100-A102 PolarHBondContact O-N 2.93Å; C100-S103 PolarHBondContact O-N 3.25Å; C100-L104 WeakPolarHBondContact O-CB 3.25Å; C100-L104 VanDerWaalsContact O-CG 3.29Å; C100-L104 WeakPolarHBondContact O-CG 3.49Å; C100-L104 PolarHBondContact O-N 2.79Å |
| 101 | C | 89.1 | Confident | 86.3 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.3 | -71.5 | 0 | 0 | 0 | 0 | 112 | I97 S103 L104 V105 | I97-C101 VanDerWaalsContact O-CB 3.31Å; I97-C101 WeakPolarHBondContact O-CB 3.38Å; I97-C101 PolarHBondContact O-N 3.38Å; I97-C101 PolarHBondContact O-SG 3.33Å; C101-S103 VanDerWaalsContact C-N 3.31Å; C101-S103 PolarHBondContact O-N 3.44Å; C101-L104 PolarHBondContact O-N 2.97Å; C101-V105 WeakPolarHBondContact O-CG2 3.33Å; C101-V105 PolarHBondContact O-N 3.47Å |
| 102 | A | 88.4 | Confident | 87 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A98 V99 C100 F106 | A98-A102 VanDerWaalsContact O-CB 3.31Å; A98-A102 WeakPolarHBondContact O-CB 3.44Å; A98-A102 PolarHBondContact O-N 3.36Å; V99-A102 PolarHBondContact O-N 3.28Å; C100-A102 PolarHBondContact O-N 2.93Å; A102-F106 WeakPolarHBondContact O-CB 2.86Å; A102-F106 PolarHBondContact O-N 3.44Å |
| 103 | S | 89 | Confident | 87.3 | Confident | 58 Ų | 58 | 84 Ų | 84 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.3 | -59 | 0 | 0 | 0 | 0 | 112.1 | V99 C100 C101 F106 L107 | V99-S103 WeakPolarHBondContact O-CB 3.33Å; V99-S103 PolarHBondContact O-N 2.85Å; V99-S103 PolarHBondContact O-OG 2.95Å; C100-S103 PolarHBondContact O-N 3.25Å; C101-S103 VanDerWaalsContact C-N 3.31Å; C101-S103 PolarHBondContact O-N 3.44Å; S103-F106 PolarHBondContact O-N 3.46Å; S103-L107 WeakPolarHBondContact O-CB 3.24Å; S103-L107 VanDerWaalsContact O-CG 3.27Å; S103-L107 WeakPolarHBondContact O-CG 3.36Å; S103-L107 PolarHBondContact O-N 3.17Å |
| 104 | L | 89.7 | Confident | 87.1 | Confident | 100 Ų | 100 | 82.8 Ų | 82.8 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177.9 | -72.2 | 171.8 | 0 | 0 | 0 | 112.1 | C100 C101 F106 L107 T108 | C100-L104 WeakPolarHBondContact O-CB 3.25Å; C100-L104 VanDerWaalsContact O-CG 3.29Å; C100-L104 WeakPolarHBondContact O-CG 3.49Å; C100-L104 PolarHBondContact O-N 2.79Å; C101-L104 PolarHBondContact O-N 2.97Å; L104-F106 VanDerWaalsContact C-N 3.3Å; L104-F106 PolarHBondContact O-N 2.92Å; L104-L107 PolarHBondContact O-N 2.9Å; L104-T108 WeakPolarHBondContact O-CB 3.14Å; L104-T108 VanDerWaalsContact O-CG2 3.29Å; L104-T108 WeakPolarHBondContact O-CG2 3.4Å; L104-T108 PolarHBondContact O-N 3.19Å; L104-T108 PolarHBondContact O-OG1 3.25Å |
| 105 | V | 89.3 | Confident | 86.9 | Confident | 92 Ų | 92 | 85 Ų | 85 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 175 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | C101 T108 V109 | C101-V105 WeakPolarHBondContact O-CG2 3.33Å; C101-V105 PolarHBondContact O-N 3.47Å; V105-T108 WeakPolarHBondContact CA-OG1 3.28Å; V105-T108 PolarHBondContact O-OG1 3.35Å; V105-V109 VanDerWaalsContact O-CG2 3.3Å; V105-V109 WeakPolarHBondContact O-CG2 3.4Å; V105-V109 PolarHBondContact O-N 3.33Å; V105-V109 VanDerWaalsContact O-N 3.1Å |
| 106 | F | 83.6 | Confident | 86.5 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 176.7 | -175.7 | -106.9 | 0 | 0 | 0 | 112.6 | L18 A102 S103 L104 T108 V109 L110 | L18-F106 HydrophobicContact CD2-CE2 3.7Å; L18-F106 HydrophobicContact CD2-CZ 4.23Å; A102-F106 WeakPolarHBondContact O-CB 2.86Å; A102-F106 PolarHBondContact O-N 3.44Å; S103-F106 PolarHBondContact O-N 3.46Å; L104-F106 VanDerWaalsContact C-N 3.3Å; L104-F106 PolarHBondContact O-N 2.92Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 2.9Å; F106-V109 PolarHBondContact O-N 3.15Å; F106-L110 HydrophobicContact CD1-CD1 3.76Å; F106-L110 HydrophobicContact CD1-CG 4.28Å; F106-L110 HydrophobicContact CE1-CD1 3.28Å; F106-L110 HydrophobicContact CE1-CG 3.96Å; F106-L110 HydrophobicContact CZ-CD1 3.78Å; F106-L110 HydrophobicContact CZ-CD2 4.23Å; F106-L110 HydrophobicContact CZ-CG 4.07Å; F106-L110 WeakPolarHBondContact O-CG 3.49Å; F106-L110 PolarHBondContact O-N 3.47Å |
| 107 | L | 85.8 | Confident | 86.1 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 178.6 | -72.6 | 173.3 | 0 | 0 | 0 | 111.9 | S103 L104 L110 V111 | S103-L107 WeakPolarHBondContact O-CB 3.24Å; S103-L107 VanDerWaalsContact O-CG 3.27Å; S103-L107 WeakPolarHBondContact O-CG 3.36Å; S103-L107 PolarHBondContact O-N 3.17Å; L104-L107 PolarHBondContact O-N 2.9Å; L107-L110 PolarHBondContact O-N 2.83Å; L107-V111 WeakPolarHBondContact O-CB 3.36Å; L107-V111 VanDerWaalsContact O-CG2 3.26Å; L107-V111 WeakPolarHBondContact O-CG2 3.13Å; L107-V111 PolarHBondContact O-N 2.82Å |
| 108 | T | 84 | Confident | 85.3 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.6 | 50.6 | 0 | 0 | 0 | 0 | 112 | L104 V105 F106 V111 I112 | L104-T108 WeakPolarHBondContact O-CB 3.14Å; L104-T108 VanDerWaalsContact O-CG2 3.29Å; L104-T108 WeakPolarHBondContact O-CG2 3.4Å; L104-T108 PolarHBondContact O-N 3.19Å; L104-T108 PolarHBondContact O-OG1 3.25Å; V105-T108 WeakPolarHBondContact CA-OG1 3.28Å; V105-T108 PolarHBondContact O-OG1 3.35Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 2.9Å; T108-V111 PolarHBondContact O-N 3.17Å; T108-I112 WeakPolarHBondContact O-CD1 3.49Å; T108-I112 VanDerWaalsContact O-CG1 3.23Å; T108-I112 WeakPolarHBondContact O-CG1 3.33Å; T108-I112 PolarHBondContact O-N 3.39Å |
| 109 | V | 85.4 | Confident | 84.3 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V105 F106 I112 I113 | V105-V109 VanDerWaalsContact O-CG2 3.3Å; V105-V109 WeakPolarHBondContact O-CG2 3.4Å; V105-V109 PolarHBondContact O-N 3.33Å; V105-V109 VanDerWaalsContact O-N 3.1Å; F106-V109 PolarHBondContact O-N 3.15Å; V109-I112 PolarHBondContact O-N 3.23Å; V109-I113 HydrophobicContact CG1-CD1 3.73Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.38Å; V109-I113 PolarHBondContact O-N 3.11Å |
| 110 | L | 84.3 | Confident | 82.8 | Confident | 56 Ų | 56 | 92 Ų | 92 | 29% | 0.293 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 175 | -75.3 | -177.6 | 0 | 0 | 0 | 111.8 | F106 L107 I112 I113 C114 | F106-L110 HydrophobicContact CD1-CD1 3.76Å; F106-L110 HydrophobicContact CD1-CG 4.28Å; F106-L110 HydrophobicContact CE1-CD1 3.28Å; F106-L110 HydrophobicContact CE1-CG 3.96Å; F106-L110 HydrophobicContact CZ-CD1 3.78Å; F106-L110 HydrophobicContact CZ-CD2 4.23Å; F106-L110 HydrophobicContact CZ-CG 4.07Å; F106-L110 WeakPolarHBondContact O-CG 3.49Å; F106-L110 PolarHBondContact O-N 3.47Å; L107-L110 PolarHBondContact O-N 2.83Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 2.87Å; L110-I113 PolarHBondContact O-N 3.04Å; L110-C114 VanDerWaalsContact O-CB 3.27Å; L110-C114 WeakPolarHBondContact O-CB 3.22Å; L110-C114 PolarHBondContact O-N 2.7Å; L110-C114 PolarHBondContact O-SG 2.99Å |
| 111 | V | 86.2 | Confident | 80.9 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 58% | 0.582 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 177.8 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | L107 T108 Y115 | L107-V111 WeakPolarHBondContact O-CB 3.36Å; L107-V111 VanDerWaalsContact O-CG2 3.26Å; L107-V111 WeakPolarHBondContact O-CG2 3.13Å; L107-V111 PolarHBondContact O-N 2.82Å; T108-V111 PolarHBondContact O-N 3.17Å; V111-Y115 WeakPolarHBondContact O-CA 3.33Å; V111-Y115 WeakPolarHBondContact O-CB 3.28Å; V111-Y115 PolarHBondContact O-N 3.42Å |
| 112 | I | 88.5 | Confident | 78.9 | Confident | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 177.6 | -67.5 | 163.4 | 0 | 0 | 0 | 110.9 | T108 V109 L110 K116 | T108-I112 WeakPolarHBondContact O-CD1 3.49Å; T108-I112 VanDerWaalsContact O-CG1 3.23Å; T108-I112 WeakPolarHBondContact O-CG1 3.33Å; T108-I112 PolarHBondContact O-N 3.39Å; V109-I112 PolarHBondContact O-N 3.23Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 2.87Å; I112-K116 HydrophobicContact CG2-CD 4.29Å; I112-K116 WeakPolarHBondContact O-CB 3.05Å; I112-K116 VanDerWaalsContact O-CG 3.29Å; I112-K116 WeakPolarHBondContact O-CG 3.35Å; I112-K116 PolarHBondContact O-N 2.81Å |
| 113 | I | 86.9 | Confident | 77.2 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -48.5 | 178.9 | -66.6 | 168 | 0 | 0 | 0 | 110.4 | V109 L110 K116 A117 | V109-I113 HydrophobicContact CG1-CD1 3.73Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.28Å; V109-I113 WeakPolarHBondContact O-CG1 3.38Å; V109-I113 PolarHBondContact O-N 3.11Å; L110-I113 PolarHBondContact O-N 3.04Å; I113-K116 CarbonylContact O-C 3.56Å; I113-K116 PolarHBondContact O-N 2.85Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 2.83Å |
| 114 | C | 79.9 | Confident | 75.6 | Confident | 64 Ų | 64 | 109.2 Ų | 109.2 | 43% | 0.432 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.7 | -69 | 0 | 0 | 0 | 0 | 111.5 | L110 K116 A117 I118 | L110-C114 VanDerWaalsContact O-CB 3.27Å; L110-C114 WeakPolarHBondContact O-CB 3.22Å; L110-C114 PolarHBondContact O-N 2.7Å; L110-C114 PolarHBondContact O-SG 2.99Å; C114-K116 VanDerWaalsContact C-N 3.31Å; C114-K116 PolarHBondContact O-N 2.9Å; C114-A117 PolarHBondContact O-N 3.3Å; C114-A117 VanDerWaalsContact O-N 3.12Å; C114-I118 WeakPolarHBondContact O-CB 3.45Å; C114-I118 WeakPolarHBondContact O-CD1 3.34Å; C114-I118 VanDerWaalsContact O-CG1 3.22Å; C114-I118 WeakPolarHBondContact O-CG1 3.21Å; C114-I118 PolarHBondContact O-N 2.63Å |
| 115 | Y | 80.5 | Confident | 73.9 | Confident | 139 Ų | 139 | 112 Ų | 112 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.8 | -44.1 | 176 | 178.4 | -96.4 | 0 | 0 | 0 | 110.8 | V111 K119 | V111-Y115 WeakPolarHBondContact O-CA 3.33Å; V111-Y115 WeakPolarHBondContact O-CB 3.28Å; V111-Y115 PolarHBondContact O-N 3.42Å; Y115-K119 HydrophobicContact CD1-CG 4.26Å; Y115-K119 HydrophobicContact CD2-CG 4.23Å; Y115-K119 HydrophobicContact CE1-CG 3.87Å; Y115-K119 HydrophobicContact CE2-CD 4.48Å; Y115-K119 HydrophobicContact CE2-CG 3.87Å; Y115-K119 HydrophobicContact CG-CG 4.43Å; Y115-K119 WeakPolarHBondContact O-CB 3.44Å; Y115-K119 WeakPolarHBondContact O-CG 3.41Å; Y115-K119 PolarHBondContact O-N 3.23Å; Y115-K119 WeakPolarHBondContact OH-CE 3.48Å |
| 116 | K | 79.3 | Confident | 72.3 | Confident | 117 Ų | 117 | 115.1 Ų | 115.1 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.7 | -37 | 174.7 | -71.1 | -177.1 | 84.9 | 161 | 0 | 111.6 | I112 I113 C114 R120 | I112-K116 HydrophobicContact CG2-CD 4.29Å; I112-K116 WeakPolarHBondContact O-CB 3.05Å; I112-K116 VanDerWaalsContact O-CG 3.29Å; I112-K116 WeakPolarHBondContact O-CG 3.35Å; I112-K116 PolarHBondContact O-N 2.81Å; I113-K116 CarbonylContact O-C 3.56Å; I113-K116 PolarHBondContact O-N 2.85Å; C114-K116 VanDerWaalsContact C-N 3.31Å; C114-K116 PolarHBondContact O-N 2.9Å; K116-R120 WeakPolarHBondContact O-CB 3.48Å; K116-R120 WeakPolarHBondContact O-CG 3.02Å; K116-R120 PolarHBondContact O-N 3.36Å |
| 117 | A | 76.5 | Confident | 70.8 | Confident | 47 Ų | 47 | 119.2 Ų | 119.2 | 39% | 0.388 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.5 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I113 C114 K121 | I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 2.83Å; C114-A117 PolarHBondContact O-N 3.3Å; C114-A117 VanDerWaalsContact O-N 3.12Å; A117-K121 WeakPolarHBondContact O-CB 3.19Å; A117-K121 WeakPolarHBondContact O-CG 3.32Å; A117-K121 PolarHBondContact O-N 3.17Å |
| 118 | I | 75.2 | Confident | 69.1 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 57% | 0.569 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.6 | -31.4 | 179.2 | -62.5 | 163.3 | 0 | 0 | 0 | 111.9 | C114 K121 | C114-I118 WeakPolarHBondContact O-CB 3.45Å; C114-I118 WeakPolarHBondContact O-CD1 3.34Å; C114-I118 VanDerWaalsContact O-CG1 3.22Å; C114-I118 WeakPolarHBondContact O-CG1 3.21Å; C114-I118 PolarHBondContact O-N 2.63Å; I118-K121 CarbonylContact C-O 3.56Å; I118-K121 CarbonylContact O-C 3.59Å |
| 119 | K | 65.2 | Low | 67.7 | Low | 142 Ų | 142 | 120.3 Ų | 120.3 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.1 | -23.2 | 173.4 | -73.5 | -65.8 | -153.4 | 179.8 | 0 | 112.9 | Y115 | Y115-K119 HydrophobicContact CD1-CG 4.26Å; Y115-K119 HydrophobicContact CD2-CG 4.23Å; Y115-K119 HydrophobicContact CE1-CG 3.87Å; Y115-K119 HydrophobicContact CE2-CD 4.48Å; Y115-K119 HydrophobicContact CE2-CG 3.87Å; Y115-K119 HydrophobicContact CG-CG 4.43Å; Y115-K119 WeakPolarHBondContact O-CB 3.44Å; Y115-K119 WeakPolarHBondContact O-CG 3.41Å; Y115-K119 PolarHBondContact O-N 3.23Å; Y115-K119 WeakPolarHBondContact OH-CE 3.48Å |
| 120 | R | 60.7 | Low | 66 | Low | 190 Ų | 190 | 123.7 Ų | 123.7 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -88.3 | -25.3 | 175.7 | -66.9 | -72.9 | -174.6 | -173 | -0.5 | 113 | K116 P122 | K116-R120 WeakPolarHBondContact O-CB 3.48Å; K116-R120 WeakPolarHBondContact O-CG 3.02Å; K116-R120 PolarHBondContact O-N 3.36Å; R120-P122 VanDerWaalsContact O-CD 3.29Å; R120-P122 WeakPolarHBondContact O-CD 3.43Å |
| 121 | K | 51.2 | Low | 64.4 | Low | 161 Ų | 161 | 126.9 Ų | 126.9 | 70% | 0.7 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -92.3 | 93.5 | 160.4 | -68.3 | 169.1 | 178.3 | -89.5 | 0 | 106 | A117 I118 L123 | A117-K121 WeakPolarHBondContact O-CB 3.19Å; A117-K121 WeakPolarHBondContact O-CG 3.32Å; A117-K121 PolarHBondContact O-N 3.17Å; I118-K121 CarbonylContact C-O 3.56Å; I118-K121 CarbonylContact O-C 3.59Å; K121-L123 PolarHBondContact O-N 3.38Å |
| 122 | P | 46.9 | Very low | 62.9 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | trans | -51 | 125.5 | 169.1 | 25.6 | -31.4 | 0 | 0 | 0 | 105.3 | R120 R124 | R120-P122 VanDerWaalsContact O-CD 3.29Å; R120-P122 WeakPolarHBondContact O-CD 3.43Å; P122-R124 PolarHBondContact O-N 3.37Å | ||
| 123 | L | 52.5 | Low | 61 | Low | 158 Ų | 158 | 126.5 Ų | 126.5 | 83% | 0.827 | 66% | 0.661 | S | S | * | * | trans | -57.4 | 80.5 | 172.8 | -171.2 | 73 | 0 | 0 | 0 | 106.1 | K121 K125 | K121-L123 PolarHBondContact O-N 3.38Å; L123-K125 PolarHBondContact O-N 3.4Å | ||
| 124 | R | 56.5 | Low | 59.1 | Low | 199 Ų | 199 | 132.1 Ų | 132.1 | 75% | 0.751 | 69% | 0.686 | S | S | * | * | trans | -65.5 | 105.4 | 159 | -72.8 | -157.7 | 90.2 | 91.9 | -2.8 | 101.6 | P122 D126 | P122-R124 PolarHBondContact O-N 3.37Å; R124-D126 PolarHBondContact O-N 3.26Å; R124-D126 VanDerWaalsContact O-OD1 3.13Å | ||
| 125 | K | 53.5 | Low | 57.2 | Low | 160 Ų | 160 | 138.3 Ų | 138.3 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | trans | -32.2 | 87.5 | 161.4 | -176.6 | 169.2 | 180 | 167.9 | 0 | 110 | L123 E127 | L123-K125 PolarHBondContact O-N 3.4Å; K125-E127 VanDerWaalsContact C-N 3.27Å | ||
| 126 | D | 55.4 | Low | 55.8 | Low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 22 | 178.5 | -62.5 | -32.2 | 0 | 0 | 0 | 111.5 | R124 | R124-D126 PolarHBondContact O-N 3.26Å; R124-D126 VanDerWaalsContact O-OD1 3.13Å |
| 127 | E | 53.2 | Low | 54.5 | Low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 24.3 | 178.5 | 67.2 | 175.6 | 112.5 | 0 | 0 | 114.7 | K125 | K125-E127 VanDerWaalsContact C-N 3.27Š|
| 128 | N | 50.3 | Low | 52.9 | Low | 135 Ų | 135 | 144.3 Ų | 144.3 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -148.4 | 94.5 | 161.6 | -166.7 | 47.7 | 0 | 0 | 0 | 112.3 | ||
| 129 | G | 53.8 | Low | 51.5 | Low | 61 Ų | 61 | 145.5 Ų | 145.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 115.7 | 36.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 130 | T | 49.8 | Very low | 50.5 | Low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -144.9 | 52.1 | 166 | -41.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 131 | S | 49.7 | Very low | 49.9 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -109.8 | 23.1 | 152.2 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 132 | V | 55 | Low | 49.5 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -122.1 | 126.5 | -177.3 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 133 | A | 49.9 | Very low | 49.4 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | 86.9 | 58.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 134 | E | 45.7 | Very low | 49 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -106.7 | 70.4 | 137.4 | -115.5 | 173.8 | 150.5 | 0 | 0 | 108.3 | ||||
| 135 | Y | 41.5 | Very low | 48.7 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -114.9 | 120 | 157.3 | -48.2 | -77.6 | 0 | 0 | 0 | 106.1 | M137 | Y135-M137 PolarHBondContact O-N 3.19Å; Y135-M137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | P | 49.9 | Very low | 48.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 103.2 | 172 | 29.6 | -29.2 | 0 | 0 | 0 | 108 | ||||
| 137 | M | 51.8 | Low | 48.4 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -115.2 | 94.9 | 154.6 | -84.8 | -173.6 | -177.9 | 0 | 0 | 107.8 | Y135 | Y135-M137 PolarHBondContact O-N 3.19Å; Y135-M137 VanDerWaalsContact O-N 3.1Å | ||
| 138 | S | 43.4 | Very low | 48.3 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -116.9 | 89.3 | 151.5 | -86.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 139 | T | 45 | Very low | 48.2 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -17 | 118 | 143.9 | -34 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 140 | S | 44.4 | Very low | 48.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -111.7 | 102 | 156.4 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 141 | Q | 48 | Very low | 47.9 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 43.9 | 98.7 | 136.1 | -131.7 | 170.3 | -2 | 0 | 0 | 117.2 | ||||
| 142 | S | 43 | Very low | 47.5 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | 55 | 101.8 | 90.2 | -172.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 143 | N | 44.2 | Very low | 46.7 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | -174.1 | 132.9 | 110.6 | -103.7 | -69.1 | 0 | 0 | 0 | 113.2 | |||||
| 144 | K | 45 | Very low | 46.5 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | 42.9 | 119.1 | 140 | -100.4 | 171 | 169.9 | 175.1 | 0 | 120.3 | ||||
| 145 | G | 49.2 | Very low | 46.6 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 154.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 146 | V | 55 | Low | 46.9 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | trans | -160.1 | 94.3 | 162.2 | 168.4 | 0 | 0 | 0 | 0 | 101.8 | ||||
| 147 | D | 48.8 | Very low | 46.7 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | 63.1 | 120.8 | 91.4 | 106.9 | -109.9 | 0 | 0 | 0 | 115.3 | |||||
| 148 | V | 49.9 | Very low | 46.4 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 79.4 | 119.3 | 141.5 | -173.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 149 | N | 48.2 | Very low | 46.6 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | trans | 88 | 114.2 | 145.4 | -165.4 | 13.1 | 0 | 0 | 0 | 120.2 | T151 | N149-T151 PolarHBondContact ND2-OG1 3.16Å; N149-T151 PolarHBondContact OD1-N 2.79Å; N149-T151 VanDerWaalsContact OD1-N 3.16Å; N149-T151 PolarHBondContact OD1-OG1 3.38Å | ||
| 150 | N | 53.3 | Low | 46.7 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -118.8 | 93.3 | 161.7 | -57.1 | 57.8 | 0 | 0 | 0 | 108.5 | ||||
| 151 | T | 45.7 | Very low | 46.9 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | -86.4 | 155.3 | 157.4 | -8.2 | 0 | 0 | 0 | 0 | 109.1 | N149 | N149-T151 PolarHBondContact ND2-OG1 3.16Å; N149-T151 PolarHBondContact OD1-N 2.79Å; N149-T151 VanDerWaalsContact OD1-N 3.16Å; N149-T151 PolarHBondContact OD1-OG1 3.38Å | ||
| 152 | V | 40.6 | Very low | 46.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 94.3 | 111.5 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 153 | V | 38.4 | Very low | 47.1 | Very low | 208 Ų | 208 | 139 Ų | 139 | 100% | 1.261 | 81% | 0.806 | S | S | * | * | cis | -137.6 | 0 | 40.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 153 of 153 residues in 49.7 ms
(Link to these results)