| 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 | 35.6 | Very low | 38.7 | Very low | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | 0 | -65.3 | 0 | -156.4 | 176.6 | -74.2 | 0 | 0 | 110.1 | W4 F5 L566 F569 F573 W764 T789 | M1-W4 PolarHBondContact O-N 2.99Å; M1-F5 PolarHBondContact O-N 3.1Å; M1-F5 VanDerWaalsContact O-N 3.12Å; M1-L566 HydrophobicContact CE-CD1 3.53Å; M1-F569 HydrophobicContact CB-CE1 3.89Å; M1-F569 HydrophobicContact CE-CD1 3.57Å; M1-F569 HydrophobicContact CE-CE1 3.4Å; M1-F569 HydrophobicContact CE-CZ 4.48Å; M1-F569 HydrophobicContact CG-CE1 4Å; M1-F573 VanDerWaalsContact N-CZ 3.29Å; M1-W764 HydrophobicContact CE-CH2 4.22Å; M1-W764 HydrophobicContact CE-CZ2 3.61Å; M1-W764 HydrophobicContact CG-CH2 3.86Å; M1-W764 HydrophobicContact CG-CZ2 4.02Å; M1-W764 HydrophobicContact SD-CH2 3.9Å; M1-W764 HydrophobicContact SD-CZ2 3.4Å; M1-W764 WeakPolarHBondContact SD-CZ2 3.33Å; M1-T789 HydrophobicContact SD-CG2 4.07Å | |||
| 2 | E | 35.9 | Very low | 38.3 | Very low | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.023 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -56.6 | -169.1 | -49.4 | 173.7 | -156.8 | 0 | 0 | 112.6 | C6 S519 L523 T790 | E2-C6 WeakPolarHBondContact O-CB 3.48Å; E2-C6 PolarHBondContact O-N 3.18Å; E2-S519 VanDerWaalsContact OE2-CA 3.31Å; E2-S519 WeakPolarHBondContact OE2-CA 3.47Å; E2-L523 HydrophobicContact CG-CD2 4.12Å; E2-L523 HydrophobicContact CG-CG 4.33Å; E2-L523 VanDerWaalsContact OE1-CD2 3.26Å; E2-L523 WeakPolarHBondContact OE1-CD2 3.16Å; E2-L523 VanDerWaalsContact OE1-CG 3.28Å; E2-L523 WeakPolarHBondContact OE1-CG 3.3Å; E2-L523 PolarHBondContact OE1-N 2.69Å; E2-T790 HydrophobicContact CB-CG2 4.37Å; E2-T790 HydrophobicContact CG-CG2 3.7Å; E2-T790 WeakPolarHBondContact OE1-CA 3.27Å; E2-T790 VanDerWaalsContact OE1-CB 3.25Å; E2-T790 WeakPolarHBondContact OE1-CB 3.47Å; E2-T790 WeakPolarHBondContact OE2-CB 3.5Å; E2-T790 WeakPolarHBondContact OE2-CG2 3.37Å |
| 3 | A | 35.7 | Very low | 38 | Very low | 5 Ų | 5 | 20 Ų | 20 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F5 C6 V7 F573 | A3-F5 PolarHBondContact O-N 3.49Å; A3-C6 PolarHBondContact O-N 3.11Å; A3-V7 VanDerWaalsContact O-CB 3.22Å; A3-V7 WeakPolarHBondContact O-CB 3.32Å; A3-V7 VanDerWaalsContact O-CG2 3.22Å; A3-V7 WeakPolarHBondContact O-CG2 3.39Å; A3-V7 PolarHBondContact O-N 2.59Å; A3-F573 HydrophobicContact CB-CZ 4.28Å |
| 4 | W | 39.7 | Very low | 37.3 | Very low | 16 Ų | 16 | 25.9 Ų | 25.9 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.2 | -56.1 | -176.7 | -168.5 | 60 | 0 | 0 | 0 | 113 | M1 V8 F573 W689 M705 F709 | M1-W4 PolarHBondContact O-N 2.99Å; W4-V8 HydrophobicContact CD2-CG2 4.42Å; W4-V8 HydrophobicContact CG-CG2 4.5Å; W4-V8 HydrophobicContact CZ2-CB 4.31Å; W4-V8 HydrophobicContact CZ2-CG1 4.16Å; W4-V8 HydrophobicContact CZ2-CG2 3.84Å; W4-V8 VanDerWaalsContact O-CB 3.23Å; W4-V8 WeakPolarHBondContact O-CB 3.44Å; W4-V8 VanDerWaalsContact O-CG2 3.3Å; W4-V8 WeakPolarHBondContact O-CG2 3.45Å; W4-V8 PolarHBondContact O-N 3.05Å; W4-F573 HydrophobicContact CB-CD2 4.26Å; W4-F573 HydrophobicContact CB-CE2 3.6Å; W4-F573 HydrophobicContact CB-CZ 4.31Å; W4-F573 HydrophobicContact CG-CE2 4.48Å; W4-W689 HydrophobicContact CD2-CD2 4.31Å; W4-W689 HydrophobicContact CD2-CE3 4.47Å; W4-W689 HydrophobicContact CD2-CG 4.48Å; W4-W689 AromaticContact CE2-CD1 3.69Å; W4-W689 AromaticContact CE2-CD2 3.81Å; W4-W689 AromaticContact CE2-CG 3.58Å; W4-W689 HydrophobicContact CE3-CD2 4.42Å; W4-W689 HydrophobicContact CE3-CE3 4.46Å; W4-W689 AromaticContact CH2-CD1 3.63Å; W4-W689 AromaticContact CH2-CD2 3.78Å; W4-W689 HydrophobicContact CH2-CD2 3.78Å; W4-W689 AromaticContact CH2-CE2 3.29Å; W4-W689 HydrophobicContact CH2-CG 4.06Å; W4-W689 AromaticContact CH2-CZ2 3.76Å; W4-W689 HydrophobicContact CH2-CZ2 3.76Å; W4-W689 AromaticContact CH2-NE1 3.18Å; W4-W689 HydrophobicContact CZ2-CB 4.36Å; W4-W689 AromaticContact CZ2-CD1 3.04Å; W4-W689 AromaticContact CZ2-CD2 3.62Å; W4-W689 HydrophobicContact CZ2-CD2 3.62Å; W4-W689 AromaticContact CZ2-CE2 3.55Å; W4-W689 AromaticContact CZ2-CG 3.42Å; W4-W689 HydrophobicContact CZ2-CG 3.42Å; W4-W689 VanDerWaalsContact CZ2-CG 3.42Å; W4-W689 HydrophobicContact CZ2-CZ2 4.44Å; W4-W689 AromaticContact CZ2-NE1 3.16Å; W4-W689 HydrophobicContact CZ3-CD2 4.12Å; W4-W689 AromaticContact CZ3-CE2 3.79Å; W4-W689 HydrophobicContact CZ3-CE3 4.43Å; W4-W689 HydrophobicContact CZ3-CH2 4.27Å; W4-W689 AromaticContact CZ3-CZ2 3.9Å; W4-W689 HydrophobicContact CZ3-CZ2 3.9Å; W4-W689 HydrophobicContact CZ3-CZ3 4.49Å; W4-W689 AromaticContact NE1-CG 3.75Å; W4-M705 HydrophobicContact CH2-CE 3.92Å; W4-M705 HydrophobicContact CZ2-CE 4.34Å; W4-F709 HydrophobicContact CZ3-CE1 4.42Å |
| 5 | F | 43.3 | Very low | 36.7 | Very low | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.8 | -35.3 | -175 | -113.5 | -73.2 | 0 | 0 | 0 | 112.4 | M1 A3 L9 F709 W764 F785 | M1-F5 PolarHBondContact O-N 3.1Å; M1-F5 VanDerWaalsContact O-N 3.12Å; A3-F5 PolarHBondContact O-N 3.49Å; F5-L9 HydrophobicContact CD1-CD1 3.75Å; F5-L9 HydrophobicContact CD1-CG 4.11Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 VanDerWaalsContact O-CD1 3.3Å; F5-L9 WeakPolarHBondContact O-CD1 3.19Å; F5-L9 WeakPolarHBondContact O-CG 3.39Å; F5-L9 PolarHBondContact O-N 2.91Å; F5-F709 HydrophobicContact CE2-CE1 4.31Å; F5-F709 HydrophobicContact CE2-CZ 4.4Å; F5-F709 HydrophobicContact CZ-CE1 4.12Å; F5-W764 HydrophobicContact CD2-CH2 4.38Å; F5-W764 AromaticContact CD2-CZ3 3.73Å; F5-W764 HydrophobicContact CD2-CZ3 3.73Å; F5-W764 HydrophobicContact CE2-CE3 4.44Å; F5-W764 HydrophobicContact CE2-CH2 4.4Å; F5-W764 AromaticContact CE2-CZ3 3.56Å; F5-W764 HydrophobicContact CE2-CZ3 3.56Å; F5-W764 HydrophobicContact CZ-CZ3 4.45Å; F5-F785 HydrophobicContact CB-CD1 4.44Å; F5-F785 HydrophobicContact CB-CE1 3.41Å; F5-F785 VanDerWaalsContact CB-CE1 3.41Å; F5-F785 HydrophobicContact CB-CZ 3.7Å; F5-F785 HydrophobicContact CD2-CZ 4.13Å; F5-F785 HydrophobicContact CG-CE1 4.07Å; F5-F785 AromaticContact CG-CZ 3.87Å; F5-F785 HydrophobicContact CG-CZ 3.87Å |
| 6 | C | 38.8 | Very low | 36.1 | Very low | 13 Ų | 13 | 34.1 Ų | 34.1 | 9% | 0.088 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -46.4 | 175.7 | -74.2 | 0 | 0 | 0 | 0 | 112 | E2 A3 L9 T10 L515 | E2-C6 WeakPolarHBondContact O-CB 3.48Å; E2-C6 PolarHBondContact O-N 3.18Å; A3-C6 PolarHBondContact O-N 3.11Å; C6-L9 PolarHBondContact O-N 3.21Å; C6-T10 PolarHBondContact O-N 2.87Å; C6-T10 PolarHBondContact O-OG1 2.73Å; C6-L515 HydrophobicContact CB-CD2 3.35Å |
| 7 | V | 40.2 | Very low | 35.7 | Very low | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | A3 L9 T10 L11 Y511 L515 F687 | A3-V7 VanDerWaalsContact O-CB 3.22Å; A3-V7 WeakPolarHBondContact O-CB 3.32Å; A3-V7 VanDerWaalsContact O-CG2 3.22Å; A3-V7 WeakPolarHBondContact O-CG2 3.39Å; A3-V7 PolarHBondContact O-N 2.59Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-L9 PolarHBondContact O-N 3.15Å; V7-T10 WeakPolarHBondContact CA-OG1 3.42Å; V7-T10 PolarHBondContact O-N 3.16Å; V7-T10 PolarHBondContact O-OG1 3.16Å; V7-L11 HydrophobicContact CG1-CD1 3.68Å; V7-L11 HydrophobicContact CG1-CG 4.37Å; V7-L11 WeakPolarHBondContact O-CB 3.34Å; V7-L11 VanDerWaalsContact O-CG 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.45Å; V7-L11 PolarHBondContact O-N 3.35Å; V7-Y511 HydrophobicContact CG1-CE2 4.21Å; V7-Y511 HydrophobicContact CG2-CE2 3.96Å; V7-L515 HydrophobicContact CG2-CD2 4.12Å; V7-F687 HydrophobicContact CG1-CE1 4.11Å; V7-F687 HydrophobicContact CG1-CE2 4.14Å; V7-F687 HydrophobicContact CG1-CZ 3.5Å; V7-F687 VanDerWaalsContact CG1-CZ 3.5Å |
| 8 | V | 40 | Very low | 35.2 | Very low | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 176 | 171 | 0 | 0 | 0 | 0 | 112 | W4 L11 V12 M705 | W4-V8 HydrophobicContact CD2-CG2 4.42Å; W4-V8 HydrophobicContact CG-CG2 4.5Å; W4-V8 HydrophobicContact CZ2-CB 4.31Å; W4-V8 HydrophobicContact CZ2-CG1 4.16Å; W4-V8 HydrophobicContact CZ2-CG2 3.84Å; W4-V8 VanDerWaalsContact O-CB 3.23Å; W4-V8 WeakPolarHBondContact O-CB 3.44Å; W4-V8 VanDerWaalsContact O-CG2 3.3Å; W4-V8 WeakPolarHBondContact O-CG2 3.45Å; W4-V8 PolarHBondContact O-N 3.05Å; V8-L11 PolarHBondContact O-N 3.44Å; V8-V12 HydrophobicContact CG1-CG2 3.63Å; V8-V12 WeakPolarHBondContact O-CB 3.14Å; V8-V12 WeakPolarHBondContact O-CG2 3.28Å; V8-V12 PolarHBondContact O-N 3.29Å; V8-M705 HydrophobicContact CG1-CE 4.18Å |
| 9 | L | 42.1 | Very low | 34.9 | Very low | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 174.3 | -79.4 | 162.3 | 0 | 0 | 0 | 113.3 | F5 C6 V7 L11 V13 V770 L771 | F5-L9 HydrophobicContact CD1-CD1 3.75Å; F5-L9 HydrophobicContact CD1-CG 4.11Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 VanDerWaalsContact O-CD1 3.3Å; F5-L9 WeakPolarHBondContact O-CD1 3.19Å; F5-L9 WeakPolarHBondContact O-CG 3.39Å; F5-L9 PolarHBondContact O-N 2.91Å; C6-L9 PolarHBondContact O-N 3.21Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-L9 PolarHBondContact O-N 3.15Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-V13 PolarHBondContact O-N 3.15Å; L9-V770 HydrophobicContact CB-CG1 4.29Å; L9-V770 HydrophobicContact CD1-CB 3.6Å; L9-V770 HydrophobicContact CD1-CG1 3.78Å; L9-V770 HydrophobicContact CD1-CG2 3.91Å; L9-V770 HydrophobicContact CD2-CB 3.74Å; L9-V770 HydrophobicContact CD2-CG1 3.74Å; L9-V770 HydrophobicContact CG-CB 4.26Å; L9-V770 HydrophobicContact CG-CG1 4.15Å; L9-L771 HydrophobicContact CD2-CD2 3.52Å; L9-L771 HydrophobicContact CD2-CG 3.84Å |
| 10 | T | 38.3 | Very low | 34.5 | Very low | 88 Ų | 88 | 50.9 Ų | 50.9 | 54% | 0.54 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -76 | -16.5 | 173.2 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | C6 V7 | C6-T10 PolarHBondContact O-N 2.87Å; C6-T10 PolarHBondContact O-OG1 2.73Å; V7-T10 WeakPolarHBondContact CA-OG1 3.42Å; V7-T10 PolarHBondContact O-N 3.16Å; V7-T10 PolarHBondContact O-OG1 3.16Å |
| 11 | L | 36.3 | Very low | 34.1 | Very low | 58 Ų | 58 | 54 Ų | 54 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -98.7 | -34.2 | 176.5 | -68.2 | 172.9 | 0 | 0 | 0 | 113.3 | V7 V8 L9 F687 | V7-L11 HydrophobicContact CG1-CD1 3.68Å; V7-L11 HydrophobicContact CG1-CG 4.37Å; V7-L11 WeakPolarHBondContact O-CB 3.34Å; V7-L11 VanDerWaalsContact O-CG 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.45Å; V7-L11 PolarHBondContact O-N 3.35Å; V8-L11 PolarHBondContact O-N 3.44Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L11-F687 HydrophobicContact CD1-CE2 3.89Å; L11-F687 HydrophobicContact CD1-CZ 4.18Å |
| 12 | V | 34.3 | Very low | 33.8 | Very low | 10 Ų | 10 | 60.1 Ų | 60.1 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.8 | -27.2 | 179.4 | 168.2 | 0 | 0 | 0 | 0 | 112.7 | V8 L693 F699 | V8-V12 HydrophobicContact CG1-CG2 3.63Å; V8-V12 WeakPolarHBondContact O-CB 3.14Å; V8-V12 WeakPolarHBondContact O-CG2 3.28Å; V8-V12 PolarHBondContact O-N 3.29Å; V12-L693 HydrophobicContact CG2-CD1 3.46Å; V12-L693 VanDerWaalsContact CG2-CD1 3.46Å; V12-L693 HydrophobicContact CG2-CG 4.12Å; V12-F699 HydrophobicContact CG1-CB 4.02Å; V12-F699 HydrophobicContact CG1-CD2 3.69Å; V12-F699 HydrophobicContact CG1-CG 4.22Å |
| 13 | V | 34.1 | Very low | 33.3 | Very low | 37 Ų | 37 | 68.6 Ų | 68.6 | 22% | 0.224 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -115.1 | 105.9 | 175.3 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | L9 A15 T774 | L9-V13 PolarHBondContact O-N 3.15Å; V13-A15 PolarHBondContact O-N 3.41Å; V13-T774 HydrophobicContact CG1-CG2 4.4Å |
| 14 | P | 27.8 | Very low | 32.8 | Very low | 102 Ų | 102 | 71.2 Ų | 71.2 | 66% | 0.662 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 131.9 | 179.1 | 24.4 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 15 | A | 28 | Very low | 32.4 | Very low | 80 Ų | 80 | 76.8 Ų | 76.8 | 66% | 0.661 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 129.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | V13 N17 | V13-A15 PolarHBondContact O-N 3.41Å; A15-N17 PolarHBondContact O-N 3.12Å |
| 16 | P | 28 | Very low | 31.6 | Very low | 104 Ų | 104 | 83 Ų | 83 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 118 | 177.2 | 25.1 | -32.8 | 0 | 0 | 0 | 107.8 | S18 | P16-S18 PolarHBondContact O-N 3.06Š|
| 17 | N | 28.3 | Very low | 31.1 | Very low | 161 Ų | 161 | 89.4 Ų | 89.4 | 86% | 0.861 | 58% | 0.575 | S | S | * | * | trans | -42.3 | 113.6 | -174.4 | -79.3 | -34.8 | 0 | 0 | 0 | 110.3 | A15 A19 | A15-N17 PolarHBondContact O-N 3.12Å; N17-A19 PolarHBondContact O-N 3.17Å | ||
| 18 | S | 28.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 93.4 Ų | 93.4 | 83% | 0.832 | 61% | 0.608 | S | S | * | * | trans | -74.9 | 68.1 | 176.7 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | P16 S20 | P16-S18 PolarHBondContact O-N 3.06Å; S18-S20 PolarHBondContact O-N 2.85Å; S18-S20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | A | 27.9 | Very low | 29.7 | Very low | 73 Ų | 73 | 104.5 Ų | 104.5 | 60% | 0.603 | 65% | 0.649 | S | S | * | * | trans | -53.7 | 117.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | N17 T21 | N17-A19 PolarHBondContact O-N 3.17Å; A19-T21 PolarHBondContact O-N 3.27Å; A19-T21 PolarHBondContact O-OG1 3.33Å | ||
| 20 | S | 27.7 | Very low | 29 | Very low | 119 Ų | 119 | 108.8 Ų | 108.8 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -72.1 | 67.4 | 176.7 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | S18 T22 | S18-S20 PolarHBondContact O-N 2.85Å; S18-S20 VanDerWaalsContact O-N 3.1Å; S20-T22 PolarHBondContact O-N 3.49Å | ||
| 21 | T | 26.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 111 Ų | 111 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | trans | -72.7 | 94.9 | -175.2 | -48.8 | 0 | 0 | 0 | 0 | 109.5 | A19 L23 | A19-T21 PolarHBondContact O-N 3.27Å; A19-T21 PolarHBondContact O-OG1 3.33Å; T21-L23 PolarHBondContact O-N 3.06Å | ||
| 22 | T | 27.9 | Very low | 27.8 | Very low | 134 Ų | 134 | 112.6 Ų | 112.6 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -58.9 | 127.9 | 170.9 | 33.8 | 0 | 0 | 0 | 0 | 110.1 | S20 G24 | S20-T22 PolarHBondContact O-N 3.49Å; T22-G24 PolarHBondContact O-N 3.25Å | ||
| 23 | L | 27.2 | Very low | 27.4 | Very low | 183 Ų | 183 | 118.4 Ų | 118.4 | 96% | 0.958 | 75% | 0.75 | S | S | * | * | trans | -68.6 | 112.9 | -177.1 | -83.4 | 146.8 | 0 | 0 | 0 | 111.3 | T21 | T21-L23 PolarHBondContact O-N 3.06Š| ||
| 24 | G | 24.9 | Very low | 27.1 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | trans | -112 | 149 | 162 | 0 | 0 | 0 | 0 | 0 | 110.2 | T22 | T22-G24 PolarHBondContact O-N 3.25Š| ||
| 25 | P | 31.8 | Very low | 27.1 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -77.3 | 155 | -162.7 | 29.5 | -35.8 | 0 | 0 | 0 | 115.3 | ||||
| 26 | T | 26.1 | Very low | 27.4 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -63 | 139.7 | -179.2 | 50.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 27 | T | 27.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -122.3 | 160 | 144.2 | 47 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 28 | A | 25 | Very low | 27.8 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -125.6 | -174.9 | -165 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 29 | W | 27 | Very low | 27.7 | Very low | 245 Ų | 245 | 127.4 Ų | 127.4 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | 92.6 | 147.3 | -178.7 | -57.4 | 20.6 | 0 | 0 | 0 | 114.3 | ||||
| 30 | S | 25.6 | Very low | 27.6 | Very low | 90 Ų | 90 | 128 Ų | 128 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | cis | -168.7 | 123.4 | -25.9 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | T | 25.6 | Very low | 27.5 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 31.4 | 131.6 | 149.9 | 50.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 32 | A | 25.5 | Very low | 27.4 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 77.7 | 159.3 | 147 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 33 | T | 26.2 | Very low | 27.3 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | cis | -152.4 | 159.3 | 8.6 | -27.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 34 | A | 26.3 | Very low | 27.3 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 138.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 35 | A | 27.8 | Very low | 27.3 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -120.1 | 147.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 36 | P | 35.3 | Very low | 27 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -92.5 | 169.7 | 164.9 | -4.6 | 25.4 | 0 | 0 | 0 | 112.9 | ||||
| 37 | P | 35.5 | Very low | 27 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -107.9 | -172.6 | -158.2 | 42.2 | -37.3 | 0 | 0 | 0 | 116.3 | ||||
| 38 | L | 28.8 | Very low | 26.8 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -55.3 | 157.9 | 174.4 | -69.9 | 65 | 0 | 0 | 0 | 114.1 | ||||
| 39 | E | 25.1 | Very low | 26.8 | Very low | 198 Ų | 198 | 125.8 Ų | 125.8 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -140.1 | 151.8 | 140.1 | -149.2 | 164.5 | -133.1 | 0 | 0 | 109.9 | ||||
| 40 | A | 26.3 | Very low | 26.7 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -157.2 | 128.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 41 | T | 25.1 | Very low | 26.8 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -159.8 | 113.9 | 173.9 | 26.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 42 | T | 25.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | 88.2 | 117.4 | 72.7 | 58.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 43 | D | 25.8 | Very low | 26.9 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 75.6 | 107.7 | 131.4 | -59.7 | -19.9 | 0 | 0 | 0 | 124.5 | ||||
| 44 | A | 27.1 | Very low | 26.8 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 96.3 | 166.6 | 107.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 45 | A | 25.8 | Very low | 26.8 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 68.5 | 112.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 46 | A | 25.2 | Very low | 26.6 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | 77.6 | 145.3 | 78.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 47 | T | 25.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -161.5 | 166.4 | 41 | -42.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 48 | M | 24.3 | Very low | 25.7 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | 16.9 | 124.2 | 158.8 | -73.4 | 171.2 | 177.2 | 0 | 0 | 120.5 | ||||
| 49 | S | 24 | Very low | 25.5 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 80.2 | 121.2 | 62.9 | -175.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 50 | T | 25.5 | Very low | 25.6 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | -171.1 | 161.8 | 124.9 | 16.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 51 | H | 26.8 | Very low | 25.5 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -76.7 | 160.4 | 175.7 | -73.4 | -107.5 | 0 | 0 | 0 | 112.5 | ||||
| 52 | H | 26.4 | Very low | 25.6 | Very low | 184 Ų | 184 | 126.7 Ų | 126.7 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | -150 | 154.8 | 113.6 | -118.2 | -79.2 | 0 | 0 | 0 | 112.5 | |||||
| 53 | T | 26.7 | Very low | 25.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | -142.3 | 131.7 | -176.1 | -50.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 54 | T | 24.9 | Very low | 25.8 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -147.5 | 140.2 | 169.9 | -24.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 55 | K | 25.9 | Very low | 25.9 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -114 | 148.9 | 172.3 | -66.7 | 177.7 | 176.7 | 178.8 | 0 | 110 | ||||
| 56 | S | 24 | Very low | 25.9 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -164.4 | 144.4 | 140.4 | -152.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 57 | S | 24.5 | Very low | 26.1 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | 64 | 142.1 | 32.4 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 58 | T | 26.2 | Very low | 26.2 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | cis | -168.3 | 162.8 | 9.8 | -5.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 59 | T | 25.8 | Very low | 26.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -160.5 | 161.1 | 4.7 | -31.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 60 | T | 26.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 59.3 | 170 | 150.9 | 30.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 61 | D | 25.6 | Very low | 26.5 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | -147.1 | 174.3 | 3.7 | -132.9 | -48.1 | 0 | 0 | 0 | 116 | ||||
| 62 | T | 26.7 | Very low | 27.4 | Very low | 107 Ų | 107 | 131 Ų | 131 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -62.6 | 145 | 175.9 | -29.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 63 | T | 26.9 | Very low | 27.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | 165.6 | 172 | 85.6 | 43.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 64 | T | 27.3 | Very low | 27.5 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | cis | 164 | 140.9 | -23.1 | -68.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 65 | A | 29.6 | Very low | 27.5 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | 67.3 | 160.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 66 | A | 27.3 | Very low | 27.7 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | cis | -166.4 | 161.9 | -26.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 67 | T | 29.2 | Very low | 28.5 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | 27.7 | 130.4 | 150.7 | -40.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 68 | E | 26.4 | Very low | 28.7 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | 160.7 | 177.8 | 110.2 | -157.4 | 129 | -117.8 | 0 | 0 | 113.3 | |||||
| 69 | R | 28 | Very low | 28.6 | Very low | 221 Ų | 221 | 130.7 Ų | 130.7 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -147.9 | 141.7 | -168.4 | 166.2 | -151.2 | -83.3 | -171.8 | -6.9 | 109.5 | ||||
| 70 | I | 26.1 | Very low | 28.7 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -160.9 | 155.4 | 155.1 | -105.4 | 146.8 | 0 | 0 | 0 | 112 | ||||
| 71 | T | 25.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -103.8 | -152.8 | 178.3 | 4.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 72 | P | 45.7 | Very low | 28.7 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | cis | -133.4 | -177.5 | -10.4 | 27.7 | -2.3 | 0 | 0 | 0 | 115.8 | ||||
| 73 | E | 27.4 | Very low | 28.6 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 170.9 | 144.5 | -72.6 | 176.5 | 116.5 | 0 | 0 | 121.7 | ||||
| 74 | T | 27.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -168.4 | 158.9 | -38.5 | -84.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 75 | E | 25.9 | Very low | 28.5 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | 141 | 158.6 | 147.1 | -74.7 | -158.9 | 129.9 | 0 | 0 | 115.2 | ||||
| 76 | A | 29.3 | Very low | 28.3 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -115.6 | -171.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 77 | P | 42.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -154.2 | 168.3 | 96 | 39.9 | -21.8 | 0 | 0 | 0 | 117.5 | |||||
| 78 | D | 26.8 | Very low | 28.7 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 40.1 | 136.3 | 148.9 | -69.9 | -50.1 | 0 | 0 | 0 | 123.9 | ||||
| 79 | T | 25.4 | Very low | 28.7 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | cis | 102.5 | 115.1 | 35.1 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 80 | T | 27.3 | Very low | 28.6 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -164.3 | 172.7 | 159.7 | -2.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | T | 25.2 | Very low | 28.8 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -148.3 | 167.9 | -150 | -37.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 82 | I | 27.5 | Very low | 29.1 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 80.6 | 125.6 | 167.1 | -35.3 | 175.7 | 0 | 0 | 0 | 113.3 | ||||
| 83 | T | 24.6 | Very low | 28.5 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | -161.8 | 150 | 62.7 | -48.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 84 | T | 27.9 | Very low | 28.7 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -109.3 | 144.6 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 85 | T | 24 | Very low | 29.2 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -144 | 130.1 | 161.3 | -40.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 86 | T | 25.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 122 Ų | 122 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -92.4 | 158 | 171.7 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 87 | T | 27 | Very low | 30.7 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 145.3 | 174.5 | 85.1 | -7.3 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 88 | P | 36.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -129.6 | 160.2 | -23.2 | 32.9 | -13.8 | 0 | 0 | 0 | 115.4 | ||||
| 89 | T | 26.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 20.6 | 130 | 138.6 | -37.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 90 | T | 26.8 | Very low | 31.9 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | trans | -141.8 | 142.4 | 131.8 | -34.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 91 | T | 29.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -134.6 | 131.4 | -177.3 | -44.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 92 | T | 32.5 | Very low | 33.1 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -140.2 | 143.5 | 171.6 | -43.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 93 | A | 31.7 | Very low | 33.3 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -92.7 | 168.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 94 | A | 33.1 | Very low | 33.3 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -102 | 160.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 95 | P | 37.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -109.2 | 152.3 | 158.4 | 36.7 | -28.1 | 0 | 0 | 0 | 112.9 | ||||
| 96 | P | 44.7 | Very low | 33.2 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 159.8 | -177.4 | 37 | -36 | 0 | 0 | 0 | 114.6 | ||
| 97 | P | 41.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 150.7 | 174.2 | 34 | -34.6 | 0 | 0 | 0 | 114.3 | ||
| 98 | P | 42.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 170.9 | -178.1 | 36.4 | -36.8 | 0 | 0 | 0 | 115.6 | ||
| 99 | P | 38.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 168.2 | -168.9 | 36.8 | -37.4 | 0 | 0 | 0 | 117.4 | ||
| 100 | P | 39.8 | Very low | 32 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -90.3 | -168.7 | 175.6 | 41.4 | -40.1 | 0 | 0 | 0 | 112.7 | ||||
| 101 | P | 42.4 | Very low | 31.8 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | -116.2 | -118.4 | -1.1 | 34.2 | -10.6 | 0 | 0 | 0 | 112.1 | ||||
| 102 | P | 35.2 | Very low | 31.5 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | cis | -119.2 | -170.1 | 9.1 | 44.9 | -30.7 | 0 | 0 | 0 | 115.7 | ||||
| 103 | N | 31 | Very low | 31 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -111.1 | 152.3 | 166.3 | -78.7 | -29.7 | 0 | 0 | 0 | 110.8 | ||||
| 104 | T | 25.5 | Very low | 30.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -148.7 | 135.1 | 152.4 | -26.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 105 | T | 24.8 | Very low | 30.1 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 169.1 | 168.4 | -24.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 106 | T | 23.8 | Very low | 29.4 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | 176.6 | 143.1 | 115.1 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 107 | T | 23.2 | Very low | 28.4 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -73.6 | 149.4 | 179 | -42.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 108 | T | 23.5 | Very low | 27.6 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -146.3 | 134.5 | 148.1 | -42.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 109 | T | 21.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -148.4 | 131.9 | 175.3 | -50.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 110 | T | 23.1 | Very low | 26.3 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 163.3 | 147.8 | 160.4 | 24.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | T | 22.2 | Very low | 25.7 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -159.8 | 150.9 | -17.6 | -9.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | T | 24.1 | Very low | 25.1 | Very low | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 55.6 | 145.8 | 153.7 | 40.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 113 | T | 21.7 | Very low | 24.8 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -141.9 | -176.4 | 21.2 | -11.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 114 | S | 23 | Very low | 25 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -155.2 | 169.2 | 10.3 | 39.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 115 | T | 22 | Very low | 25.3 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -33.8 | 150.8 | 157.9 | 11.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 116 | T | 23.6 | Very low | 25.9 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | cis | -156.3 | 144.2 | 7.5 | -31.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 117 | T | 23.8 | Very low | 26.9 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 54.8 | 142.2 | 158.4 | 39.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 118 | T | 24.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | cis | -144.8 | 150.5 | 30.1 | -50 | 0 | 0 | 0 | 0 | 111.2 | S120 | T118-S120 PolarHBondContact O-N 3.06Š| ||
| 119 | T | 26.6 | Very low | 30.3 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | trans | -63 | 126.5 | 178.4 | -45.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 120 | S | 27 | Very low | 33.1 | Very low | 100 Ų | 100 | 116.5 Ų | 116.5 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | -129.6 | 127.4 | 160.1 | 51.2 | 0 | 0 | 0 | 0 | 109.1 | T118 T122 | T118-S120 PolarHBondContact O-N 3.06Å; S120-T122 PolarHBondContact O-N 3.26Å | ||
| 121 | T | 27.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -86.1 | 99.1 | -176 | -48.9 | 0 | 0 | 0 | 0 | 109.1 | T123 | T121-T123 VanDerWaalsContact C-N 3.28Å; T121-T123 PolarHBondContact O-N 3.4Å | ||
| 122 | T | 28.7 | Very low | 39.3 | Very low | 133 Ų | 133 | 109.8 Ų | 109.8 | 82% | 0.816 | 69% | 0.689 | S | S | * | * | trans | -73.4 | 81.5 | 178.5 | -45 | 0 | 0 | 0 | 0 | 110.8 | S120 A124 | S120-T122 PolarHBondContact O-N 3.26Å; T122-A124 PolarHBondContact O-N 3.33Å | ||
| 123 | T | 29.8 | Very low | 42.3 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | trans | -55 | 127.4 | 167.5 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | T121 T125 | T121-T123 VanDerWaalsContact C-N 3.28Å; T121-T123 PolarHBondContact O-N 3.4Å; T123-T125 PolarHBondContact O-N 3.18Å; T123-T125 VanDerWaalsContact O-N 3.17Å | ||
| 124 | A | 34.4 | Very low | 45.1 | Very low | 85 Ų | 85 | 104.7 Ų | 104.7 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | trans | -62.4 | 118.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T122 T126 | T122-A124 PolarHBondContact O-N 3.33Å; A124-T126 PolarHBondContact O-N 3.42Å | ||
| 125 | T | 32.6 | Very low | 47.9 | Very low | 131 Ų | 131 | 100.4 Ų | 100.4 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -71.6 | 90.4 | -174.9 | -41.9 | 0 | 0 | 0 | 0 | 110.7 | T123 T127 | T123-T125 PolarHBondContact O-N 3.18Å; T123-T125 VanDerWaalsContact O-N 3.17Å; T125-T127 PolarHBondContact O-N 3.24Å | ||
| 126 | T | 36.5 | Very low | 50.8 | Low | 127 Ų | 127 | 98.2 Ų | 98.2 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | trans | -62.6 | 105.8 | 163.8 | 31.9 | 0 | 0 | 0 | 0 | 108.8 | A124 T128 | A124-T126 PolarHBondContact O-N 3.42Å; T126-T128 PolarHBondContact O-N 3.4Å; T126-T128 VanDerWaalsContact O-N 3.13Å | ||
| 127 | T | 45.3 | Very low | 53.4 | Low | 128 Ų | 128 | 97.8 Ų | 97.8 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -58.9 | 115.8 | 169.6 | 44.3 | 0 | 0 | 0 | 0 | 108.9 | T125 M129 | T125-T127 PolarHBondContact O-N 3.24Å; T127-M129 PolarHBondContact O-N 2.9Å | ||
| 128 | T | 52.2 | Low | 55.5 | Low | 130 Ų | 130 | 96 Ų | 96 | 80% | 0.798 | 61% | 0.605 | S | S | * | * | trans | -63.3 | 105.8 | 176.2 | 31 | 0 | 0 | 0 | 0 | 109.8 | T126 S130 | T126-T128 PolarHBondContact O-N 3.4Å; T126-T128 VanDerWaalsContact O-N 3.13Å; T128-S130 PolarHBondContact O-N 2.59Å | ||
| 129 | M | 66.4 | Low | 57.9 | Low | 87 Ų | 87 | 92.9 Ų | 92.9 | 43% | 0.429 | 60% | 0.599 | S | S | . | * | trans | -58.6 | 113.7 | 176.1 | -179.3 | 175.2 | -81 | 0 | 0 | 108.9 | T127 | T127-M129 PolarHBondContact O-N 2.9Š| ||
| 130 | S | 80.8 | Confident | 60.3 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | trans | -116.3 | 133.6 | -178 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | T128 | T128-S130 PolarHBondContact O-N 2.59Š| ||
| 131 | C | 85.3 | Confident | 63 | Low | 28 Ų | 28 | 83.4 Ų | 83.4 | 19% | 0.189 | 54% | 0.537 | C | S | . | . | trans | -88.3 | 123.3 | -179.1 | -46.6 | 0 | 0 | 0 | 0 | 108.9 | G135 C141 | C131-G135 VanDerWaalsContact CB-O 3.26Å; C131-G135 WeakPolarHBondContact CB-O 3.45Å; C131-C141 WeakPolarHBondContact CA-SG 3.39Å; C131-C141 HydrophobicContact CB-CB 3.74Å; C131-C141 WeakPolarHBondContact CB-SG 3.22Å; C131-C141 WeakPolarHBondContact SG-CA 3.48Å; C131-C141 WeakPolarHBondContact SG-CB 3.5Å; C131-C141 CovalentContact SG-SG 2.03Å; C131-C141 PolarHBondContact SG-SG 2.72Å | ||
| 132 | V | 89.3 | Confident | 65.7 | Low | 65 Ų | 65 | 78.7 Ų | 78.7 | 39% | 0.394 | 51% | 0.508 | S | S | . | . | trans | -90.3 | 176.6 | 174.2 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | G134 G135 T151 C152 | V132-G134 PolarHBondContact O-N 3.16Å; V132-G135 PolarHBondContact O-N 2.98Å; V132-G135 VanDerWaalsContact O-N 3.09Å; V132-T151 WeakPolarHBondContact CG2-O 3.38Å; V132-T151 PolarHBondContact N-O 3.4Å; V132-C152 WeakPolarHBondContact O-CB 3.23Å | ||
| 133 | N | 87.8 | Confident | 68.5 | Low | 77 Ų | 77 | 73 Ų | 73 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 27.9 | 171.9 | -57.3 | -37 | 0 | 0 | 0 | 115.6 | W147 C152 | N133-W147 HydrophobicContact CB-CD2 3.75Å; N133-W147 HydrophobicContact CB-CE3 4.39Å; N133-W147 HydrophobicContact CB-CG 3.78Å; N133-W147 HydrophobicContact CB-CZ2 4.39Å; N133-W147 WeakPolarHBondContact ND2-CZ3 3.32Å; N133-C152 PolarHBondContact ND2-O 3.14Å |
| 134 | G | 79.4 | Confident | 71.4 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 13.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V132 | V132-G134 PolarHBondContact O-N 3.16Š|
| 135 | G | 82.1 | Confident | 74 | Confident | 14 Ų | 14 | 66 Ų | 66 | 14% | 0.144 | 42% | 0.422 | C | S | . | . | trans | -66.2 | 146 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C131 V132 V142 | C131-G135 VanDerWaalsContact CB-O 3.26Å; C131-G135 WeakPolarHBondContact CB-O 3.45Å; V132-G135 PolarHBondContact O-N 2.98Å; V132-G135 VanDerWaalsContact O-N 3.09Å; G135-V142 VanDerWaalsContact CA-O 3.26Å; G135-V142 WeakPolarHBondContact CA-O 3.45Å | ||
| 136 | T | 82.8 | Confident | 76.8 | Confident | 77 Ų | 77 | 63 Ų | 63 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | 177.9 | 53 | 0 | 0 | 0 | 0 | 111.4 | C141 V142 | T136-C141 WeakPolarHBondContact O-CA 3.36Å; T136-V142 PolarHBondContact N-O 3.3Å; T136-V142 PolarHBondContact O-N 3.36Å |
| 137 | L | 79.4 | Confident | 79.4 | Confident | 100 Ų | 100 | 59.5 Ų | 59.5 | 52% | 0.524 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 103.2 | -176.1 | -177.3 | 66.1 | 0 | 0 | 0 | 111.3 | ||
| 138 | N | 68 | Low | 81.4 | Confident | 92 Ų | 92 | 55 Ų | 55 | 49% | 0.492 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -115.7 | 48.8 | 175.4 | -72.8 | -21.5 | 0 | 0 | 0 | 110.6 | V140 I377 | N138-V140 PolarHBondContact N-O 2.91Å; N138-V140 PolarHBondContact O-N 3.2Å; N138-V140 VanDerWaalsContact O-N 3.15Å; N138-I377 HydrophobicContact CB-CD1 4.29Å |
| 139 | G | 73.8 | Confident | 83 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 63% | 0.629 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 82.6 | -38.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 140 | V | 77.3 | Confident | 83.8 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -121.3 | 158 | 161.2 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | N138 V142 F376 | N138-V140 PolarHBondContact N-O 2.91Å; N138-V140 PolarHBondContact O-N 3.2Å; N138-V140 VanDerWaalsContact O-N 3.15Å; V140-V142 PolarHBondContact O-N 3.38Å; V140-F376 HydrophobicContact CG1-CD1 4.43Å; V140-F376 HydrophobicContact CG1-CE1 3.9Å; V140-F376 HydrophobicContact CG1-CE2 4.09Å; V140-F376 HydrophobicContact CG1-CZ 3.72Å; V140-F376 HydrophobicContact CG2-CD2 4.12Å; V140-F376 HydrophobicContact CG2-CE2 4.01Å; V140-F376 HydrophobicContact CG2-CZ 4.48Å |
| 141 | C | 83.6 | Confident | 84.1 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.9 | 175 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | C131 T136 C143 E150 | C131-C141 WeakPolarHBondContact CA-SG 3.39Å; C131-C141 HydrophobicContact CB-CB 3.74Å; C131-C141 WeakPolarHBondContact CB-SG 3.22Å; C131-C141 WeakPolarHBondContact SG-CA 3.48Å; C131-C141 WeakPolarHBondContact SG-CB 3.5Å; C131-C141 CovalentContact SG-SG 2.03Å; C131-C141 PolarHBondContact SG-SG 2.72Å; T136-C141 WeakPolarHBondContact O-CA 3.36Å; C141-C143 PolarHBondContact O-N 2.99Å; C141-E150 WeakPolarHBondContact CB-O 3.17Å |
| 142 | V | 85.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 50 Ų | 50 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 102.8 | 169.4 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | G135 T136 V140 | G135-V142 VanDerWaalsContact CA-O 3.26Å; G135-V142 WeakPolarHBondContact CA-O 3.45Å; T136-V142 PolarHBondContact N-O 3.3Å; T136-V142 PolarHBondContact O-N 3.36Å; V140-V142 PolarHBondContact O-N 3.38Å |
| 143 | C | 87.4 | Confident | 84.3 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | trans | -80 | 147.9 | -175.2 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | C141 W147 C152 P352 R360 | C141-C143 PolarHBondContact O-N 2.99Å; C143-W147 HydrophobicContact CB-CB 4.35Å; C143-W147 VanDerWaalsContact CB-O 3.26Å; C143-W147 WeakPolarHBondContact CB-O 3.4Å; C143-C152 WeakPolarHBondContact CA-SG 3.45Å; C143-C152 HydrophobicContact CB-CB 3.67Å; C143-C152 WeakPolarHBondContact CB-SG 3.38Å; C143-C152 WeakPolarHBondContact SG-CA 3.17Å; C143-C152 WeakPolarHBondContact SG-CB 3.41Å; C143-C152 CovalentContact SG-SG 2.03Å; C143-C152 PolarHBondContact SG-SG 3.36Å; C143-P352 WeakPolarHBondContact O-CD 3.39Å; C143-R360 PolarHBondContact O-NH2 3.45Å | ||
| 144 | P | 89.9 | Confident | 84.4 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | trans | -58.9 | 156.2 | 161.2 | -20 | 33.6 | 0 | 0 | 0 | 111.4 | E146 W147 | P144-E146 PolarHBondContact O-N 2.65Å; P144-E146 VanDerWaalsContact O-N 3.09Å; P144-W147 PolarHBondContact O-N 2.9Å | ||
| 145 | D | 90.3 | Very high | 84.9 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.2 | -174 | -63.8 | 10.1 | 0 | 0 | 0 | 113.9 | W147 N156 I172 S353 S355 V357 R360 | D145-W147 PolarHBondContact O-N 2.79Å; D145-N156 PolarHBondContact O-ND2 2.88Å; D145-I172 HydrophobicContact CB-CD1 3.56Å; D145-I172 HydrophobicContact CB-CG1 4.34Å; D145-S353 PolarHBondContact OD1-OG 2.86Å; D145-S353 VanDerWaalsContact OD2-CB 3.28Å; D145-S353 WeakPolarHBondContact OD2-CB 3.31Å; D145-S353 PolarHBondContact OD2-OG 2.86Å; D145-S355 PolarHBondContact OD2-OG 2.87Å; D145-V357 HydrophobicContact CB-CG2 3.99Å; D145-R360 IonicContact OD1-CZ 3.54Å; D145-R360 IonicContact OD1-NH1 3.63Å; D145-R360 PolarHBondContact OD1-NH1 2.9Å; D145-R360 IonicContact OD1-NH2 3.27Å; D145-R360 PolarHBondContact OD1-NH2 3.47Å |
| 146 | E | 90.5 | Very high | 85.4 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.6 | 173 | -71.7 | -167.7 | -174.1 | 0 | 0 | 114.1 | P144 N156 F157 K170 | P144-E146 PolarHBondContact O-N 2.65Å; P144-E146 VanDerWaalsContact O-N 3.09Å; E146-N156 WeakPolarHBondContact O-CB 3.32Å; E146-N156 PolarHBondContact O-N 2.9Å; E146-F157 HydrophobicContact CB-CD1 3.62Å; E146-F157 HydrophobicContact CB-CE1 3.92Å; E146-F157 HydrophobicContact CG-CD1 3.98Å; E146-F157 HydrophobicContact CG-CE1 4.46Å; E146-F157 WeakPolarHBondContact O-CD1 3.49Å; E146-F157 WeakPolarHBondContact O-CE1 3.47Å; E146-K170 HydrophobicContact CG-CD 4.33Å; E146-K170 VanDerWaalsContact OE1-CD 3.29Å; E146-K170 WeakPolarHBondContact OE1-CD 3.46Å; E146-K170 IonicContact OE1-NZ 3.19Å; E146-K170 PolarHBondContact OE1-NZ 3.24Å; E146-K170 IonicContact OE2-NZ 2.86Å; E146-K170 PolarHBondContact OE2-NZ 3.03Å |
| 147 | W | 90.5 | Very high | 86 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 21% | 0.205 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.3 | -169 | -61.3 | 97.6 | 0 | 0 | 0 | 112.9 | N133 C143 P144 D145 C152 Q154 A155 F157 | N133-W147 HydrophobicContact CB-CD2 3.75Å; N133-W147 HydrophobicContact CB-CE3 4.39Å; N133-W147 HydrophobicContact CB-CG 3.78Å; N133-W147 HydrophobicContact CB-CZ2 4.39Å; N133-W147 WeakPolarHBondContact ND2-CZ3 3.32Å; C143-W147 HydrophobicContact CB-CB 4.35Å; C143-W147 VanDerWaalsContact CB-O 3.26Å; C143-W147 WeakPolarHBondContact CB-O 3.4Å; P144-W147 PolarHBondContact O-N 2.9Å; D145-W147 PolarHBondContact O-N 2.79Å; W147-C152 HydrophobicContact CB-CB 4.13Å; W147-Q154 CarbonylContact C-O 3.57Å; W147-Q154 WeakPolarHBondContact CA-O 3.27Å; W147-A155 HydrophobicContact CE3-CB 4.4Å; W147-A155 HydrophobicContact CH2-CB 4.43Å; W147-A155 HydrophobicContact CZ3-CB 3.96Å; W147-F157 HydrophobicContact CH2-CE1 4.29Å; W147-F157 HydrophobicContact CH2-CZ 4.37Å; W147-F157 AromaticContact CZ2-CE1 3.91Å; W147-F157 HydrophobicContact CZ2-CE1 3.91Å; W147-F157 HydrophobicContact CZ2-CZ 4.15Å |
| 148 | T | 88.5 | Confident | 86.7 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 178.5 | -176.3 | -164.5 | 0 | 0 | 0 | 0 | 111.8 | C152 S153 Q154 N156 N359 | T148-C152 CarbonylContact O-C 3.53Å; T148-C152 WeakPolarHBondContact O-CA 3.48Å; T148-S153 PolarHBondContact O-N 2.82Å; T148-Q154 HydrophobicContact CG2-CB 3.66Å; T148-Q154 PolarHBondContact N-O 2.89Å; T148-Q154 WeakPolarHBondContact O-CB 3.15Å; T148-Q154 PolarHBondContact O-N 3.44Å; T148-N156 HydrophobicContact CG2-CB 4.22Å; T148-N359 VanDerWaalsContact CB-ND2 3.33Å; T148-N359 WeakPolarHBondContact CB-ND2 3.1Å; T148-N359 PolarHBondContact OG1-ND2 2.91Å |
| 149 | G | 85.1 | Confident | 88 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 79.8 | 164.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T151 C152 | G149-T151 PolarHBondContact O-N 2.93Å; G149-C152 PolarHBondContact O-N 3.36Å |
| 150 | E | 83.6 | Confident | 89.1 | Confident | 150 Ų | 150 | 46.5 Ų | 46.5 | 70% | 0.701 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.1 | -170 | -59.9 | 178.7 | 164.4 | 0 | 0 | 114.9 | C141 | C141-E150 WeakPolarHBondContact CB-O 3.17Š|
| 151 | T | 86.1 | Confident | 89.9 | Confident | 48 Ų | 48 | 48 Ų | 48 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 5.1 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | V132 G149 S153 | V132-T151 WeakPolarHBondContact CG2-O 3.38Å; V132-T151 PolarHBondContact N-O 3.4Å; G149-T151 PolarHBondContact O-N 2.93Å; T151-S153 VanDerWaalsContact C-N 3.3Å; T151-S153 PolarHBondContact O-N 2.91Å; T151-S153 PolarHBondContact OG1-OG 3.17Å |
| 152 | C | 89.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 63.5 | 30 | -173 | -45.7 | 0 | 0 | 0 | 0 | 114.5 | V132 N133 C143 W147 T148 G149 | V132-C152 WeakPolarHBondContact O-CB 3.23Å; N133-C152 PolarHBondContact ND2-O 3.14Å; C143-C152 WeakPolarHBondContact CA-SG 3.45Å; C143-C152 HydrophobicContact CB-CB 3.67Å; C143-C152 WeakPolarHBondContact CB-SG 3.38Å; C143-C152 WeakPolarHBondContact SG-CA 3.17Å; C143-C152 WeakPolarHBondContact SG-CB 3.41Å; C143-C152 CovalentContact SG-SG 2.03Å; C143-C152 PolarHBondContact SG-SG 3.36Å; W147-C152 HydrophobicContact CB-CB 4.13Å; T148-C152 CarbonylContact O-C 3.53Å; T148-C152 WeakPolarHBondContact O-CA 3.48Å; G149-C152 PolarHBondContact O-N 3.36Å |
| 153 | S | 89.3 | Confident | 90.9 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 43% | 0.427 | 28% | 0.284 | S | S | . | . | trans | -92.6 | -16.2 | -175 | 46.8 | 0 | 0 | 0 | 0 | 114.7 | T148 T151 | T148-S153 PolarHBondContact O-N 2.82Å; T151-S153 VanDerWaalsContact C-N 3.3Å; T151-S153 PolarHBondContact O-N 2.91Å; T151-S153 PolarHBondContact OG1-OG 3.17Å | ||
| 154 | Q | 90.5 | Very high | 91 | Very high | 118 Ų | 118 | 54.9 Ų | 54.9 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131 | -178 | -58.5 | 172.8 | 5.6 | 0 | 0 | 110.3 | W147 T148 | W147-Q154 CarbonylContact C-O 3.57Å; W147-Q154 WeakPolarHBondContact CA-O 3.27Å; T148-Q154 HydrophobicContact CG2-CB 3.66Å; T148-Q154 PolarHBondContact N-O 2.89Å; T148-Q154 WeakPolarHBondContact O-CB 3.15Å; T148-Q154 PolarHBondContact O-N 3.44Å |
| 155 | A | 90.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 60 Ų | 60 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W147 F157 | W147-A155 HydrophobicContact CE3-CB 4.4Å; W147-A155 HydrophobicContact CH2-CB 4.43Å; W147-A155 HydrophobicContact CZ3-CB 3.96Å; A155-F157 HydrophobicContact CB-CD1 4.41Å; A155-F157 HydrophobicContact CB-CE1 3.94Å; A155-F157 HydrophobicContact CB-CZ 4.12Å |
| 156 | N | 92.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 8% | 0.075 | 34% | 0.338 | C | S | . | . | trans | -114.8 | 28.8 | -176.5 | -170.4 | 51.8 | 0 | 0 | 0 | 112.2 | D145 E146 T148 I172 I173 V357 | D145-N156 PolarHBondContact O-ND2 2.88Å; E146-N156 WeakPolarHBondContact O-CB 3.32Å; E146-N156 PolarHBondContact O-N 2.9Å; T148-N156 HydrophobicContact CG2-CB 4.22Å; N156-I172 WeakPolarHBondContact O-CA 3.27Å; N156-I173 WeakPolarHBondContact O-CG1 3.38Å; N156-I173 PolarHBondContact O-N 2.98Å; N156-V357 WeakPolarHBondContact ND2-CG1 3.46Å | ||
| 157 | F | 94.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155 | -177.1 | 58.2 | -94.3 | 0 | 0 | 0 | 113 | E146 W147 A155 N159 K170 T171 P206 | E146-F157 HydrophobicContact CB-CD1 3.62Å; E146-F157 HydrophobicContact CB-CE1 3.92Å; E146-F157 HydrophobicContact CG-CD1 3.98Å; E146-F157 HydrophobicContact CG-CE1 4.46Å; E146-F157 WeakPolarHBondContact O-CD1 3.49Å; E146-F157 WeakPolarHBondContact O-CE1 3.47Å; W147-F157 HydrophobicContact CH2-CE1 4.29Å; W147-F157 HydrophobicContact CH2-CZ 4.37Å; W147-F157 AromaticContact CZ2-CE1 3.91Å; W147-F157 HydrophobicContact CZ2-CE1 3.91Å; W147-F157 HydrophobicContact CZ2-CZ 4.15Å; A155-F157 HydrophobicContact CB-CD1 4.41Å; A155-F157 HydrophobicContact CB-CE1 3.94Å; A155-F157 HydrophobicContact CB-CZ 4.12Å; F157-N159 WeakPolarHBondContact CE2-OD1 3.4Å; F157-K170 HydrophobicContact CB-CD 4.19Å; F157-K170 HydrophobicContact CB-CG 4.03Å; F157-K170 HydrophobicContact CD1-CD 4.22Å; F157-K170 HydrophobicContact CD2-CD 3.59Å; F157-K170 HydrophobicContact CD2-CG 3.47Å; F157-K170 VanDerWaalsContact CD2-CG 3.47Å; F157-K170 HydrophobicContact CE2-CD 3.98Å; F157-K170 HydrophobicContact CE2-CG 4.16Å; F157-K170 HydrophobicContact CG-CD 3.73Å; F157-K170 HydrophobicContact CG-CG 3.86Å; F157-K170 HydrophobicContact CZ-CD 4.46Å; F157-T171 CarbonylContact C-O 3.56Å; F157-T171 VanDerWaalsContact CA-O 3.24Å; F157-T171 WeakPolarHBondContact CA-O 3.41Å; F157-T171 WeakPolarHBondContact CB-O 3.39Å; F157-P206 WeakPolarHBondContact O-CB 3.47Å |
| 158 | C | 95.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.2 | 161.7 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | K170 T171 C199 Q207 F208 | C158-K170 VanDerWaalsContact O-CA 3.32Å; C158-K170 WeakPolarHBondContact O-CA 3.41Å; C158-K170 VanDerWaalsContact O-CG 3.28Å; C158-K170 WeakPolarHBondContact O-CG 3.44Å; C158-T171 PolarHBondContact N-O 3.15Å; C158-T171 PolarHBondContact O-N 3.41Å; C158-T171 VanDerWaalsContact O-N 3.12Å; C158-C199 HydrophobicContact CB-CB 3.85Å; C158-C199 WeakPolarHBondContact CB-SG 3.36Å; C158-C199 PolarHBondContact N-SG 3.06Å; C158-C199 WeakPolarHBondContact SG-CA 3.27Å; C158-C199 WeakPolarHBondContact SG-CB 3.48Å; C158-C199 CovalentContact SG-SG 2.04Å; C158-C199 PolarHBondContact SG-SG 3.12Å; C158-Q207 PolarHBondContact SG-N 2.57Å; C158-Q207 VanDerWaalsContact SG-N 3.4Å; C158-Q207 PolarHBondContact SG-O 3.37Å; C158-F208 HydrophobicContact CB-CD1 3.95Å; C158-F208 HydrophobicContact CB-CD2 4.16Å; C158-F208 HydrophobicContact CB-CE1 3.65Å; C158-F208 HydrophobicContact CB-CE2 3.91Å; C158-F208 HydrophobicContact CB-CG 4.18Å; C158-F208 HydrophobicContact CB-CZ 3.64Å |
| 159 | N | 95.2 | Very high | 92.5 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 57% | 0.567 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 154.4 | 176.7 | -82.1 | -57.5 | 0 | 0 | 0 | 112.1 | F157 T161 F208 | F157-N159 WeakPolarHBondContact CE2-OD1 3.4Å; N159-T161 PolarHBondContact O-N 3.35Å; N159-T161 PolarHBondContact O-OG1 2.95Å; N159-F208 WeakPolarHBondContact O-CE2 3.39Å |
| 160 | E | 95.5 | Very high | 93 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 124.2 | 169.9 | -177.9 | 179.7 | 176.8 | 0 | 0 | 110.5 | K167 F168 | E160-K167 WeakPolarHBondContact OE1-CE 3.33Å; E160-K167 IonicContact OE1-NZ 3.8Å; E160-K167 PolarHBondContact OE1-NZ 3.32Å; E160-F168 VanDerWaalsContact CA-O 3.31Å; E160-F168 WeakPolarHBondContact CA-O 3.49Å |
| 161 | T | 94.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 144.9 | -168.7 | -57.6 | 0 | 0 | 0 | 0 | 110 | N159 L163 F168 | N159-T161 PolarHBondContact O-N 3.35Å; N159-T161 PolarHBondContact O-OG1 2.95Å; T161-L163 HydrophobicContact CG2-CD2 4.01Å; T161-L163 HydrophobicContact CG2-CG 4.33Å; T161-F168 PolarHBondContact N-O 2.93Å; T161-F168 PolarHBondContact O-N 2.96Å |
| 162 | T | 95.1 | Very high | 93.9 | Very high | 88 Ų | 88 | 53 Ų | 53 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123 | 169.4 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | F166 | T162-F166 CarbonylContact C-O 3.49Å; T162-F166 VanDerWaalsContact CA-O 3.3Å; T162-F166 WeakPolarHBondContact CA-O 3.33Å; T162-F166 WeakPolarHBondContact CG2-O 3.34Å |
| 163 | L | 93.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.8 | 175.2 | -62.7 | 178.1 | 0 | 0 | 0 | 109.4 | T161 K165 F166 F168 T197 F208 P212 | T161-L163 HydrophobicContact CG2-CD2 4.01Å; T161-L163 HydrophobicContact CG2-CG 4.33Å; L163-K165 PolarHBondContact O-N 3.2Å; L163-F166 PolarHBondContact N-O 3.43Å; L163-F166 PolarHBondContact O-N 2.93Å; L163-F168 HydrophobicContact CB-CD2 4.33Å; L163-F168 HydrophobicContact CB-CE2 4.11Å; L163-F168 HydrophobicContact CD1-CD2 4.29Å; L163-F168 HydrophobicContact CD1-CE2 4.29Å; L163-F168 HydrophobicContact CG-CD2 4.32Å; L163-F168 HydrophobicContact CG-CE2 4.47Å; L163-T197 HydrophobicContact CD1-CG2 4.18Å; L163-F208 HydrophobicContact CD1-CB 3.95Å; L163-P212 HydrophobicContact CB-CG 4.03Å |
| 164 | G | 91.2 | Very high | 94.1 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 86% | 0.856 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -105.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 165 | K | 93.2 | Very high | 94.2 | Very high | 142 Ų | 142 | 48.8 Ų | 48.8 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 9.9 | 178.6 | 69.4 | 161.3 | -168.7 | 165.8 | 0 | 114.3 | L163 | L163-K165 PolarHBondContact O-N 3.2Š|
| 166 | F | 96.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.9 | -171.9 | -59 | -69.2 | 0 | 0 | 0 | 111.7 | T162 L163 F168 E181 Q194 A195 P212 V214 | T162-F166 CarbonylContact C-O 3.49Å; T162-F166 VanDerWaalsContact CA-O 3.3Å; T162-F166 WeakPolarHBondContact CA-O 3.33Å; T162-F166 WeakPolarHBondContact CG2-O 3.34Å; L163-F166 PolarHBondContact N-O 3.43Å; L163-F166 PolarHBondContact O-N 2.93Å; F166-F168 HydrophobicContact CB-CD2 4.46Å; F166-F168 HydrophobicContact CB-CE2 3.66Å; F166-F168 HydrophobicContact CB-CZ 3.84Å; F166-E181 VanDerWaalsContact CA-OE2 3.31Å; F166-E181 WeakPolarHBondContact CA-OE2 3.38Å; F166-E181 HydrophobicContact CD1-CB 4.23Å; F166-E181 HydrophobicContact CD1-CG 4.36Å; F166-Q194 HydrophobicContact CD1-CB 4.29Å; F166-Q194 HydrophobicContact CE1-CB 3.57Å; F166-Q194 HydrophobicContact CZ-CB 4.37Å; F166-A195 HydrophobicContact CB-CB 4.35Å; F166-A195 HydrophobicContact CD1-CB 3.82Å; F166-A195 HydrophobicContact CD2-CB 3.72Å; F166-A195 HydrophobicContact CE1-CB 3.9Å; F166-A195 HydrophobicContact CE2-CB 3.8Å; F166-A195 HydrophobicContact CG-CB 3.7Å; F166-A195 HydrophobicContact CZ-CB 3.86Å; F166-P212 HydrophobicContact CD2-CG 4.31Å; F166-V214 HydrophobicContact CE2-CG1 4.46Å; F166-V214 HydrophobicContact CE2-CG2 3.6Å; F166-V214 HydrophobicContact CZ-CG1 3.94Å; F166-V214 HydrophobicContact CZ-CG2 3.93Å |
| 167 | K | 96.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.5 | 179.2 | -174.4 | 167.8 | 175.3 | -74.4 | 0 | 110.6 | E160 S179 E180 E181 | E160-K167 WeakPolarHBondContact OE1-CE 3.33Å; E160-K167 IonicContact OE1-NZ 3.8Å; E160-K167 PolarHBondContact OE1-NZ 3.32Å; K167-S179 WeakPolarHBondContact O-CA 3.47Å; K167-E180 HydrophobicContact CB-CB 4.44Å; K167-E180 WeakPolarHBondContact CD-OE2 3.44Å; K167-E180 IonicContact NZ-OE1 3.24Å; K167-E180 PolarHBondContact NZ-OE1 2.98Å; K167-E180 IonicContact NZ-OE2 2.81Å; K167-E180 PolarHBondContact NZ-OE2 3.32Å; K167-E180 PolarHBondContact O-N 2.95Å; K167-E181 PolarHBondContact N-OE1 3.44Å; K167-E181 VanDerWaalsContact N-OE1 3.16Å; K167-E181 PolarHBondContact N-OE2 3.04Å |
| 168 | F | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128 | -177.1 | -67 | -72.4 | 0 | 0 | 0 | 111.3 | E160 T161 L163 F166 A177 A195 T197 F208 P212 | E160-F168 VanDerWaalsContact CA-O 3.31Å; E160-F168 WeakPolarHBondContact CA-O 3.49Å; T161-F168 PolarHBondContact N-O 2.93Å; T161-F168 PolarHBondContact O-N 2.96Å; L163-F168 HydrophobicContact CB-CD2 4.33Å; L163-F168 HydrophobicContact CB-CE2 4.11Å; L163-F168 HydrophobicContact CD1-CD2 4.29Å; L163-F168 HydrophobicContact CD1-CE2 4.29Å; L163-F168 HydrophobicContact CG-CD2 4.32Å; L163-F168 HydrophobicContact CG-CE2 4.47Å; F166-F168 HydrophobicContact CB-CD2 4.46Å; F166-F168 HydrophobicContact CB-CE2 3.66Å; F166-F168 HydrophobicContact CB-CZ 3.84Å; F168-A177 HydrophobicContact CB-CB 4.18Å; F168-A177 HydrophobicContact CD1-CB 3.95Å; F168-A177 HydrophobicContact CG-CB 4.41Å; F168-A195 HydrophobicContact CE1-CB 4.45Å; F168-A195 HydrophobicContact CZ-CB 3.9Å; F168-T197 HydrophobicContact CB-CG2 4.45Å; F168-T197 HydrophobicContact CD1-CG2 3.85Å; F168-T197 HydrophobicContact CD2-CG2 3.8Å; F168-T197 HydrophobicContact CE1-CG2 3.98Å; F168-T197 HydrophobicContact CE2-CG2 3.92Å; F168-T197 HydrophobicContact CG-CG2 3.75Å; F168-T197 HydrophobicContact CZ-CG2 4.01Å; F168-F208 HydrophobicContact CB-CE2 4Å; F168-F208 HydrophobicContact CB-CZ 4.25Å; F168-P212 HydrophobicContact CE2-CB 3.88Å; F168-P212 HydrophobicContact CE2-CG 4.33Å; F168-P212 HydrophobicContact CZ-CB 3.81Å |
| 169 | P | 96.9 | Very high | 94.7 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | trans | -73.3 | 160.5 | 179.7 | 31.9 | -36.5 | 0 | 0 | 0 | 112 | T171 Y178 F208 | P169-T171 PolarHBondContact O-N 2.89Å; P169-T171 PolarHBondContact O-OG1 3.04Å; P169-Y178 VanDerWaalsContact CD-O 3.26Å; P169-Y178 WeakPolarHBondContact CD-O 3.04Å; P169-F208 WeakPolarHBondContact O-CZ 3.49Å | ||
| 170 | K | 95.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | trans | -50.4 | 127.4 | 172.5 | -170.7 | -150.2 | -68.7 | 176 | 0 | 110.2 | E146 F157 C158 | E146-K170 HydrophobicContact CG-CD 4.33Å; E146-K170 VanDerWaalsContact OE1-CD 3.29Å; E146-K170 WeakPolarHBondContact OE1-CD 3.46Å; E146-K170 IonicContact OE1-NZ 3.19Å; E146-K170 PolarHBondContact OE1-NZ 3.24Å; E146-K170 IonicContact OE2-NZ 2.86Å; E146-K170 PolarHBondContact OE2-NZ 3.03Å; F157-K170 HydrophobicContact CB-CD 4.19Å; F157-K170 HydrophobicContact CB-CG 4.03Å; F157-K170 HydrophobicContact CD1-CD 4.22Å; F157-K170 HydrophobicContact CD2-CD 3.59Å; F157-K170 HydrophobicContact CD2-CG 3.47Å; F157-K170 VanDerWaalsContact CD2-CG 3.47Å; F157-K170 HydrophobicContact CE2-CD 3.98Å; F157-K170 HydrophobicContact CE2-CG 4.16Å; F157-K170 HydrophobicContact CG-CD 3.73Å; F157-K170 HydrophobicContact CG-CG 3.86Å; F157-K170 HydrophobicContact CZ-CD 4.46Å; C158-K170 VanDerWaalsContact O-CA 3.32Å; C158-K170 WeakPolarHBondContact O-CA 3.41Å; C158-K170 VanDerWaalsContact O-CG 3.28Å; C158-K170 WeakPolarHBondContact O-CG 3.44Å | ||
| 171 | T | 95 | Very high | 94.8 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140 | -170.4 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | F157 C158 P169 W175 A177 C199 | F157-T171 CarbonylContact C-O 3.56Å; F157-T171 VanDerWaalsContact CA-O 3.24Å; F157-T171 WeakPolarHBondContact CA-O 3.41Å; F157-T171 WeakPolarHBondContact CB-O 3.39Å; C158-T171 PolarHBondContact N-O 3.15Å; C158-T171 PolarHBondContact O-N 3.41Å; C158-T171 VanDerWaalsContact O-N 3.12Å; P169-T171 PolarHBondContact O-N 2.89Å; P169-T171 PolarHBondContact O-OG1 3.04Å; T171-W175 HydrophobicContact CG2-CB 3.98Å; T171-A177 HydrophobicContact CG2-CB 4.09Å; T171-A177 VanDerWaalsContact OG1-CB 3.29Å; T171-A177 WeakPolarHBondContact OG1-CB 3.04Å; T171-C199 HydrophobicContact CG2-CB 4.29Å; T171-C199 PolarHBondContact O-SG 3.43Å; T171-C199 VanDerWaalsContact O-SG 3.42Å |
| 172 | I | 93.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 147 | -177.6 | -69.9 | 149.7 | 0 | 0 | 0 | 111.9 | D145 N156 G174 W175 C199 V357 | D145-I172 HydrophobicContact CB-CD1 3.56Å; D145-I172 HydrophobicContact CB-CG1 4.34Å; N156-I172 WeakPolarHBondContact O-CA 3.27Å; I172-G174 PolarHBondContact O-N 3.33Å; I172-W175 HydrophobicContact CB-CD2 3.96Å; I172-W175 HydrophobicContact CB-CE3 4.09Å; I172-W175 HydrophobicContact CB-CG 4.31Å; I172-W175 HydrophobicContact CD1-CD2 4.45Å; I172-W175 HydrophobicContact CD1-CE3 4.01Å; I172-W175 HydrophobicContact CD1-CH2 3.6Å; I172-W175 HydrophobicContact CD1-CZ2 4.08Å; I172-W175 HydrophobicContact CD1-CZ3 3.58Å; I172-W175 HydrophobicContact CG2-CD2 4.28Å; I172-W175 HydrophobicContact CG2-CG 4.49Å; I172-W175 WeakPolarHBondContact O-CB 3.31Å; I172-W175 PolarHBondContact O-N 2.88Å; I172-W175 VanDerWaalsContact O-N 3.15Å; I172-C199 WeakPolarHBondContact O-CB 3.41Å; I172-V357 HydrophobicContact CG2-CG1 3.76Å |
| 173 | I | 92.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 133.5 | -179.3 | -63.6 | 167 | 0 | 0 | 0 | 111.3 | N156 W175 I201 P206 | N156-I173 WeakPolarHBondContact O-CG1 3.38Å; N156-I173 PolarHBondContact O-N 2.98Å; I173-W175 VanDerWaalsContact C-N 3.32Å; I173-I201 HydrophobicContact CD1-CD1 4.21Å; I173-I201 HydrophobicContact CD1-CG1 4.09Å; I173-I201 HydrophobicContact CG2-CD1 4.23Å; I173-I201 HydrophobicContact CG2-CG1 3.95Å; I173-P206 HydrophobicContact CD1-CB 3.96Å; I173-P206 HydrophobicContact CD1-CG 3.79Å; I173-P206 HydrophobicContact CG1-CB 4.09Å; I173-P206 HydrophobicContact CG1-CG 4.46Å |
| 174 | G | 89.6 | Confident | 94.8 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -20.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I172 R198 C199 Q326 | I172-G174 PolarHBondContact O-N 3.33Å; G174-R198 PolarHBondContact O-NE 3.17Å; G174-C199 PolarHBondContact N-O 3.23Å; G174-Q326 PolarHBondContact O-NE2 2.91Å |
| 175 | W | 93.4 | Very high | 94.8 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 17% | 0.174 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -86.1 | 160 | -179.6 | -63 | 8.5 | 0 | 0 | 0 | 112.4 | T171 I172 I173 C199 P327 F356 V357 | T171-W175 HydrophobicContact CG2-CB 3.98Å; I172-W175 HydrophobicContact CB-CD2 3.96Å; I172-W175 HydrophobicContact CB-CE3 4.09Å; I172-W175 HydrophobicContact CB-CG 4.31Å; I172-W175 HydrophobicContact CD1-CD2 4.45Å; I172-W175 HydrophobicContact CD1-CE3 4.01Å; I172-W175 HydrophobicContact CD1-CH2 3.6Å; I172-W175 HydrophobicContact CD1-CZ2 4.08Å; I172-W175 HydrophobicContact CD1-CZ3 3.58Å; I172-W175 HydrophobicContact CG2-CD2 4.28Å; I172-W175 HydrophobicContact CG2-CG 4.49Å; I172-W175 WeakPolarHBondContact O-CB 3.31Å; I172-W175 PolarHBondContact O-N 2.88Å; I172-W175 VanDerWaalsContact O-N 3.15Å; I173-W175 VanDerWaalsContact C-N 3.32Å; W175-C199 PolarHBondContact O-N 3.28Å; W175-P327 HydrophobicContact CD2-CG 3.73Å; W175-P327 HydrophobicContact CE3-CG 3.97Å; W175-P327 HydrophobicContact CG-CG 4.23Å; W175-P327 HydrophobicContact CH2-CB 4.27Å; W175-P327 HydrophobicContact CH2-CG 4.19Å; W175-P327 HydrophobicContact CZ2-CB 4.07Å; W175-P327 HydrophobicContact CZ2-CG 3.96Å; W175-P327 HydrophobicContact CZ3-CG 4.18Å; W175-F356 WeakPolarHBondContact CZ2-O 3.3Å; W175-F356 PolarHBondContact NE1-O 3.39Å; W175-V357 HydrophobicContact CZ2-CG2 4.16Å |
| 176 | F | 94.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 11% | 0.114 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132 | 170 | -72.1 | -85 | 0 | 0 | 0 | 111.6 | Y178 T197 R198 V278 A279 A282 | F176-Y178 HydrophobicContact CB-CE1 4.45Å; F176-Y178 HydrophobicContact CB-CE2 4.25Å; F176-Y178 VanDerWaalsContact O-CE2 3.25Å; F176-Y178 WeakPolarHBondContact O-CE2 3.47Å; F176-T197 CarbonylContact C-O 3.27Å; F176-T197 WeakPolarHBondContact CA-O 3.45Å; F176-R198 HydrophobicContact CD1-CB 4.11Å; F176-R198 HydrophobicContact CE1-CB 4.05Å; F176-V278 HydrophobicContact CE2-CG1 3.75Å; F176-V278 HydrophobicContact CZ-CG1 3.96Å; F176-A279 HydrophobicContact CZ-CB 4.03Å; F176-A282 HydrophobicContact CD2-CB 3.66Å; F176-A282 HydrophobicContact CE2-CB 3.6Å |
| 177 | A | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 145.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F168 T171 S196 T197 F208 | F168-A177 HydrophobicContact CB-CB 4.18Å; F168-A177 HydrophobicContact CD1-CB 3.95Å; F168-A177 HydrophobicContact CG-CB 4.41Å; T171-A177 HydrophobicContact CG2-CB 4.09Å; T171-A177 VanDerWaalsContact OG1-CB 3.29Å; T171-A177 WeakPolarHBondContact OG1-CB 3.04Å; A177-S196 WeakPolarHBondContact O-CA 3.5Å; A177-S196 VanDerWaalsContact O-CB 3.31Å; A177-S196 WeakPolarHBondContact O-CB 3.35Å; A177-T197 HydrophobicContact CB-CG2 4.22Å; A177-T197 PolarHBondContact N-O 3.25Å; A177-T197 PolarHBondContact O-N 3.42Å; A177-T197 VanDerWaalsContact O-N 3.12Å; A177-F208 HydrophobicContact CB-CD1 4.34Å; A177-F208 HydrophobicContact CB-CE1 3.53Å; A177-F208 HydrophobicContact CB-CZ 3.85Å |
| 178 | Y | 96 | Very high | 93.9 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.4 | 179.3 | -54.7 | -86.9 | 0 | 0 | 0 | 109.6 | P169 F176 P193 L243 S246 Q286 | P169-Y178 VanDerWaalsContact CD-O 3.26Å; P169-Y178 WeakPolarHBondContact CD-O 3.04Å; F176-Y178 HydrophobicContact CB-CE1 4.45Å; F176-Y178 HydrophobicContact CB-CE2 4.25Å; F176-Y178 VanDerWaalsContact O-CE2 3.25Å; F176-Y178 WeakPolarHBondContact O-CE2 3.47Å; Y178-P193 HydrophobicContact CD1-CG 3.91Å; Y178-P193 HydrophobicContact CG-CG 4.32Å; Y178-L243 HydrophobicContact CD1-CD2 4.21Å; Y178-S246 VanDerWaalsContact CE1-CB 3.46Å; Y178-Q286 PolarHBondContact OH-NE2 2.81Å |
| 179 | S | 96.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | trans | -67.3 | 143.7 | -177.2 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | K167 E181 Q194 A195 | K167-S179 WeakPolarHBondContact O-CA 3.47Å; S179-E181 WeakPolarHBondContact CB-OE2 3.39Å; S179-E181 PolarHBondContact O-N 3.04Å; S179-E181 PolarHBondContact OG-O 3.44Å; S179-Q194 PolarHBondContact OG-N 3.47Å; S179-A195 WeakPolarHBondContact CB-O 3.38Å; S179-A195 PolarHBondContact N-O 3.44Å; S179-A195 PolarHBondContact OG-N 3.33Å; S179-A195 PolarHBondContact OG-O 2.83Å | ||
| 180 | E | 95.8 | Very high | 93.1 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -65.3 | -30.7 | 169.5 | -76.1 | 173.4 | -150.3 | 0 | 0 | 111.7 | K167 K182 | K167-E180 HydrophobicContact CB-CB 4.44Å; K167-E180 WeakPolarHBondContact CD-OE2 3.44Å; K167-E180 IonicContact NZ-OE1 3.24Å; K167-E180 PolarHBondContact NZ-OE1 2.98Å; K167-E180 IonicContact NZ-OE2 2.81Å; K167-E180 PolarHBondContact NZ-OE2 3.32Å; K167-E180 PolarHBondContact O-N 2.95Å; E180-K182 WeakPolarHBondContact O-CE 3.38Å |
| 181 | E | 95.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | trans | -66.9 | 132.9 | 172.5 | -57.7 | 73.8 | -161.1 | 0 | 0 | 110.8 | F166 K167 S179 P193 Q194 | F166-E181 VanDerWaalsContact CA-OE2 3.31Å; F166-E181 WeakPolarHBondContact CA-OE2 3.38Å; F166-E181 HydrophobicContact CD1-CB 4.23Å; F166-E181 HydrophobicContact CD1-CG 4.36Å; K167-E181 PolarHBondContact N-OE1 3.44Å; K167-E181 VanDerWaalsContact N-OE1 3.16Å; K167-E181 PolarHBondContact N-OE2 3.04Å; S179-E181 WeakPolarHBondContact CB-OE2 3.39Å; S179-E181 PolarHBondContact O-N 3.04Å; S179-E181 PolarHBondContact OG-O 3.44Å; E181-P193 WeakPolarHBondContact O-CA 3.21Å; E181-Q194 HydrophobicContact CB-CB 4.49Å; E181-Q194 HydrophobicContact CB-CG 4.4Å; E181-Q194 PolarHBondContact O-N 3.04Å | ||
| 182 | K | 95.1 | Very high | 92.8 | Very high | 113 Ų | 113 | 49 Ų | 49 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -123.1 | 150.3 | -173.3 | -66.7 | 160.7 | -165 | 175 | 0 | 111.4 | E180 G191 K192 Q194 | E180-K182 WeakPolarHBondContact O-CE 3.38Å; K182-G191 WeakPolarHBondContact CG-O 3.44Å; K182-K192 CarbonylContact C-O 3.6Å; K182-K192 VanDerWaalsContact CA-O 3.24Å; K182-K192 WeakPolarHBondContact CA-O 3.43Å; K182-Q194 VanDerWaalsContact C-CG 3.49Å; K182-Q194 PolarHBondContact O-NE2 3Å |
| 183 | C | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | trans | -61.9 | 143.7 | 171.8 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | G189 G191 K192 C217 | C183-G189 VanDerWaalsContact CB-O 3.25Å; C183-G189 WeakPolarHBondContact CB-O 3.41Å; C183-G191 PolarHBondContact O-N 3.4Å; C183-K192 PolarHBondContact N-O 3.37Å; C183-C217 VanDerWaalsContact CA-SG 3.52Å; C183-C217 HydrophobicContact CB-CB 3.65Å; C183-C217 WeakPolarHBondContact CB-SG 3.35Å; C183-C217 VanDerWaalsContact SG-CA 3.51Å; C183-C217 WeakPolarHBondContact SG-CB 3.26Å; C183-C217 CovalentContact SG-SG 2.04Å; C183-C217 PolarHBondContact SG-SG 3.19Å | ||
| 184 | A | 94 | Very high | 93 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | trans | -72.6 | 158.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N186 T187 A190 | A184-N186 VanDerWaalsContact CB-OD1 3.27Å; A184-N186 WeakPolarHBondContact CB-OD1 3.42Å; A184-N186 PolarHBondContact O-N 3.36Å; A184-T187 HydrophobicContact CB-CG2 4.11Å; A184-T187 PolarHBondContact O-N 2.92Å; A184-T187 VanDerWaalsContact O-N 3.15Å; A184-T187 PolarHBondContact O-OG1 2.96Å; A184-T187 VanDerWaalsContact O-OG1 3.06Å; A184-A190 WeakPolarHBondContact O-CA 3.2Å | ||
| 185 | K | 90.9 | Very high | 93.3 | Very high | 207 Ų | 207 | 48.4 Ų | 48.4 | 90% | 0.9 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.2 | -173.5 | -69.9 | -172.1 | 176.4 | -175.7 | 0 | 115 | ||
| 186 | N | 90.3 | Very high | 93.4 | Very high | 134 Ų | 134 | 46.3 Ų | 46.3 | 72% | 0.717 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 0.1 | -179 | 65.9 | -76.7 | 0 | 0 | 0 | 113.8 | A184 | A184-N186 VanDerWaalsContact CB-OD1 3.27Å; A184-N186 WeakPolarHBondContact CB-OD1 3.42Å; A184-N186 PolarHBondContact O-N 3.36Å |
| 187 | T | 91.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -105.6 | 156.6 | -175 | 76.5 | 0 | 0 | 0 | 0 | 110.6 | A184 G189 A190 C217 E218 | A184-T187 HydrophobicContact CB-CG2 4.11Å; A184-T187 PolarHBondContact O-N 2.92Å; A184-T187 VanDerWaalsContact O-N 3.15Å; A184-T187 PolarHBondContact O-OG1 2.96Å; A184-T187 VanDerWaalsContact O-OG1 3.06Å; T187-G189 VanDerWaalsContact C-N 3.3Å; T187-G189 PolarHBondContact O-N 3.03Å; T187-A190 VanDerWaalsContact O-CB 3.31Å; T187-A190 WeakPolarHBondContact O-CB 3.49Å; T187-A190 PolarHBondContact O-N 2.96Å; T187-C217 VanDerWaalsContact CB-O 3.3Å; T187-C217 WeakPolarHBondContact CB-O 3.29Å; T187-C217 HydrophobicContact CG2-CB 4.17Å; T187-C217 PolarHBondContact OG1-O 3.26Å; T187-E218 WeakPolarHBondContact CA-OE2 3.17Å; T187-E218 VanDerWaalsContact CB-OE1 3.28Å; T187-E218 WeakPolarHBondContact CB-OE1 3.21Å; T187-E218 WeakPolarHBondContact CB-OE2 3.44Å; T187-E218 WeakPolarHBondContact CG2-OE1 3.49Å |
| 188 | A | 86.4 | Confident | 93.3 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -39.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A190 C217 E218 T220 | A188-A190 PolarHBondContact O-N 2.82Å; A188-C217 PolarHBondContact N-O 2.81Å; A188-E218 WeakPolarHBondContact CB-O 3.49Å; A188-E218 PolarHBondContact N-OE2 3.06Å; A188-E218 VanDerWaalsContact N-OE2 3.16Å; A188-T220 HydrophobicContact CB-CG2 4Å |
| 189 | G | 87.1 | Confident | 93.3 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 22.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | C183 T187 G191 K192 C217 | C183-G189 VanDerWaalsContact CB-O 3.25Å; C183-G189 WeakPolarHBondContact CB-O 3.41Å; T187-G189 VanDerWaalsContact C-N 3.3Å; T187-G189 PolarHBondContact O-N 3.03Å; G189-G191 PolarHBondContact O-N 3.23Å; G189-K192 VanDerWaalsContact O-CB 3.24Å; G189-K192 WeakPolarHBondContact O-CB 3.27Å; G189-K192 VanDerWaalsContact O-CG 3.29Å; G189-K192 WeakPolarHBondContact O-CG 3.49Å; G189-K192 PolarHBondContact O-N 2.9Å; G189-C217 PolarHBondContact N-O 3.25Å |
| 190 | A | 90.4 | Very high | 93 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | 124.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | A184 T187 A188 K192 | A184-A190 WeakPolarHBondContact O-CA 3.2Å; T187-A190 VanDerWaalsContact O-CB 3.31Å; T187-A190 WeakPolarHBondContact O-CB 3.49Å; T187-A190 PolarHBondContact O-N 2.96Å; A188-A190 PolarHBondContact O-N 2.82Å; A190-K192 PolarHBondContact O-N 3.08Å; A190-K192 VanDerWaalsContact O-N 3.16Å |
| 191 | G | 90.1 | Very high | 92.7 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -13.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | K182 C183 G189 R247 | K182-G191 WeakPolarHBondContact CG-O 3.44Å; C183-G191 PolarHBondContact O-N 3.4Å; G189-G191 PolarHBondContact O-N 3.23Å; G191-R247 PolarHBondContact O-NH1 2.68Å; G191-R247 PolarHBondContact O-NH2 2.86Å |
| 192 | K | 94 | Very high | 92.2 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 8% | 0.078 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -66.2 | 153.9 | 171.7 | -54.2 | -70.9 | 178.8 | 158.2 | 0 | 110 | K182 C183 G189 A190 L215 L244 R247 | K182-K192 CarbonylContact C-O 3.6Å; K182-K192 VanDerWaalsContact CA-O 3.24Å; K182-K192 WeakPolarHBondContact CA-O 3.43Å; C183-K192 PolarHBondContact N-O 3.37Å; G189-K192 VanDerWaalsContact O-CB 3.24Å; G189-K192 WeakPolarHBondContact O-CB 3.27Å; G189-K192 VanDerWaalsContact O-CG 3.29Å; G189-K192 WeakPolarHBondContact O-CG 3.49Å; G189-K192 PolarHBondContact O-N 2.9Å; A190-K192 PolarHBondContact O-N 3.08Å; A190-K192 VanDerWaalsContact O-N 3.16Å; K192-L215 HydrophobicContact CB-CD2 4.38Å; K192-L244 WeakPolarHBondContact CD-O 3.43Å; K192-L244 VanDerWaalsContact CE-O 3.28Å; K192-L244 WeakPolarHBondContact CE-O 3.48Å; K192-L244 PolarHBondContact NZ-O 3.1Å; K192-R247 PolarHBondContact NZ-O 3.36Å |
| 193 | P | 95.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -61 | 143.7 | 177.3 | 26.2 | -35.6 | 0 | 0 | 0 | 112 | Y178 E181 L243 S246 | Y178-P193 HydrophobicContact CD1-CG 3.91Å; Y178-P193 HydrophobicContact CG-CG 4.32Å; E181-P193 WeakPolarHBondContact O-CA 3.21Å; P193-L243 HydrophobicContact CB-CD2 4.27Å; P193-L243 HydrophobicContact CG-CD2 3.79Å; P193-S246 WeakPolarHBondContact CD-OG 3.45Å; P193-S246 WeakPolarHBondContact CG-OG 3.45Å |
| 194 | Q | 95.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -75.8 | -24.1 | 177.2 | -66.7 | -169.9 | 16.2 | 0 | 0 | 113.5 | F166 S179 E181 K182 V214 L215 | F166-Q194 HydrophobicContact CD1-CB 4.29Å; F166-Q194 HydrophobicContact CE1-CB 3.57Å; F166-Q194 HydrophobicContact CZ-CB 4.37Å; S179-Q194 PolarHBondContact OG-N 3.47Å; E181-Q194 HydrophobicContact CB-CB 4.49Å; E181-Q194 HydrophobicContact CB-CG 4.4Å; E181-Q194 PolarHBondContact O-N 3.04Å; K182-Q194 VanDerWaalsContact C-CG 3.49Å; K182-Q194 PolarHBondContact O-NE2 3Å; Q194-V214 CarbonylContact O-C 3.27Å; Q194-V214 WeakPolarHBondContact O-CA 3.31Å; Q194-V214 WeakPolarHBondContact O-CG1 2.99Å; Q194-L215 PolarHBondContact O-N 3.03Å |
| 195 | A | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F166 F168 S179 R213 V214 | F166-A195 HydrophobicContact CB-CB 4.35Å; F166-A195 HydrophobicContact CD1-CB 3.82Å; F166-A195 HydrophobicContact CD2-CB 3.72Å; F166-A195 HydrophobicContact CE1-CB 3.9Å; F166-A195 HydrophobicContact CE2-CB 3.8Å; F166-A195 HydrophobicContact CG-CB 3.7Å; F166-A195 HydrophobicContact CZ-CB 3.86Å; F168-A195 HydrophobicContact CE1-CB 4.45Å; F168-A195 HydrophobicContact CZ-CB 3.9Å; S179-A195 WeakPolarHBondContact CB-O 3.38Å; S179-A195 PolarHBondContact N-O 3.44Å; S179-A195 PolarHBondContact OG-N 3.33Å; S179-A195 PolarHBondContact OG-O 2.83Å; A195-R213 CarbonylContact C-O 3.59Å; A195-R213 WeakPolarHBondContact CA-O 3.29Å; A195-R213 WeakPolarHBondContact CB-O 3.24Å; A195-V214 HydrophobicContact CB-CG2 4.3Å |
| 196 | S | 95.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.1 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | A177 R213 Q242 | A177-S196 WeakPolarHBondContact O-CA 3.5Å; A177-S196 VanDerWaalsContact O-CB 3.31Å; A177-S196 WeakPolarHBondContact O-CB 3.35Å; S196-R213 PolarHBondContact N-O 2.87Å; S196-R213 PolarHBondContact O-N 3.04Å; S196-Q242 PolarHBondContact OG-NE2 2.88Å |
| 197 | T | 94.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156 | 167.4 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | L163 F168 F176 A177 F208 D209 | L163-T197 HydrophobicContact CD1-CG2 4.18Å; F168-T197 HydrophobicContact CB-CG2 4.45Å; F168-T197 HydrophobicContact CD1-CG2 3.85Å; F168-T197 HydrophobicContact CD2-CG2 3.8Å; F168-T197 HydrophobicContact CE1-CG2 3.98Å; F168-T197 HydrophobicContact CE2-CG2 3.92Å; F168-T197 HydrophobicContact CG-CG2 3.75Å; F168-T197 HydrophobicContact CZ-CG2 4.01Å; F176-T197 CarbonylContact C-O 3.27Å; F176-T197 WeakPolarHBondContact CA-O 3.45Å; A177-T197 HydrophobicContact CB-CG2 4.22Å; A177-T197 PolarHBondContact N-O 3.25Å; A177-T197 PolarHBondContact O-N 3.42Å; A177-T197 VanDerWaalsContact O-N 3.12Å; T197-F208 HydrophobicContact CG2-CB 3.82Å; T197-F208 HydrophobicContact CG2-CD1 3.58Å; T197-F208 HydrophobicContact CG2-CD2 4.4Å; T197-F208 HydrophobicContact CG2-CE1 4.23Å; T197-F208 HydrophobicContact CG2-CG 3.69Å; T197-D209 PolarHBondContact OG1-N 3.42Å; T197-D209 VanDerWaalsContact OG1-N 3.12Å; T197-D209 PolarHBondContact OG1-O 2.89Å |
| 198 | R | 93.3 | Very high | 91.5 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 25% | 0.249 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 139.4 | 174.8 | 179.9 | 178.2 | 179.4 | -123.9 | 28.9 | 109.4 | G174 F176 S200 F208 D209 E274 | G174-R198 PolarHBondContact O-NE 3.17Å; F176-R198 HydrophobicContact CD1-CB 4.11Å; F176-R198 HydrophobicContact CE1-CB 4.05Å; R198-S200 PolarHBondContact NH1-OG 2.81Å; R198-S200 PolarHBondContact O-N 3.18Å; R198-F208 WeakPolarHBondContact O-CA 3.29Å; R198-D209 PolarHBondContact O-N 3.48Å; R198-E274 IonicContact NH2-OE1 2.81Å |
| 199 | C | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.9 | 167 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | C158 T171 I172 G174 W175 F208 | C158-C199 HydrophobicContact CB-CB 3.85Å; C158-C199 WeakPolarHBondContact CB-SG 3.36Å; C158-C199 PolarHBondContact N-SG 3.06Å; C158-C199 WeakPolarHBondContact SG-CA 3.27Å; C158-C199 WeakPolarHBondContact SG-CB 3.48Å; C158-C199 CovalentContact SG-SG 2.04Å; C158-C199 PolarHBondContact SG-SG 3.12Å; T171-C199 HydrophobicContact CG2-CB 4.29Å; T171-C199 PolarHBondContact O-SG 3.43Å; T171-C199 VanDerWaalsContact O-SG 3.42Å; I172-C199 WeakPolarHBondContact O-CB 3.41Å; G174-C199 PolarHBondContact N-O 3.23Å; W175-C199 PolarHBondContact O-N 3.28Å; C199-F208 HydrophobicContact CB-CD1 4.11Å; C199-F208 HydrophobicContact CB-CE1 3.93Å |
| 200 | S | 91.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 166 | -175.9 | -70.5 | 0 | 0 | 0 | 0 | 110.3 | R198 P206 Q207 D209 | R198-S200 PolarHBondContact NH1-OG 2.81Å; R198-S200 PolarHBondContact O-N 3.18Å; S200-P206 WeakPolarHBondContact O-CA 3.39Å; S200-Q207 PolarHBondContact N-O 2.92Å; S200-Q207 PolarHBondContact O-N 2.78Å; S200-D209 WeakPolarHBondContact CB-OD2 3.25Å; S200-D209 PolarHBondContact OG-OD2 3.19Å |
| 201 | I | 89.1 | Confident | 91.7 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 56% | 0.559 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.6 | 170 | -60.2 | 176.2 | 0 | 0 | 0 | 108 | I173 K205 | I173-I201 HydrophobicContact CD1-CD1 4.21Å; I173-I201 HydrophobicContact CD1-CG1 4.09Å; I173-I201 HydrophobicContact CG2-CD1 4.23Å; I173-I201 HydrophobicContact CG2-CG1 3.95Å; I201-K205 WeakPolarHBondContact CA-O 3.29Å |
| 202 | R | 85.9 | Confident | 91.9 | Very high | 130 Ų | 130 | 57 Ų | 57 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.4 | 173 | -68.6 | -178.6 | 177.6 | -108.4 | 2.7 | 108.7 | G204 K205 D209 | R202-G204 PolarHBondContact O-N 2.91Å; R202-K205 PolarHBondContact N-O 3Å; R202-K205 PolarHBondContact O-N 3.13Å; R202-D209 IonicContact CZ-OD1 2.72Å; R202-D209 IonicContact NE-OD1 2.77Å; R202-D209 PolarHBondContact NE-OD1 3.29Å; R202-D209 IonicContact NH2-OD1 3.93Å; R202-D209 PolarHBondContact NH2-OD1 3.46Å |
| 203 | D | 84.8 | Confident | 91.9 | Very high | 163 Ų | 163 | 60.1 Ų | 60.1 | 87% | 0.872 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.2 | -179.5 | -52.5 | -39.5 | 0 | 0 | 0 | 114.4 | K205 | D203-K205 VanDerWaalsContact C-N 3.31Å; D203-K205 PolarHBondContact O-N 2.83Å |
| 204 | G | 84.8 | Confident | 91.8 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 75% | 0.753 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 10.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R202 | R202-G204 PolarHBondContact O-N 2.91Š|
| 205 | K | 89.4 | Confident | 91.7 | Very high | 148 Ų | 148 | 61.6 Ų | 61.6 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.4 | -177.1 | -65 | 175.7 | -175.5 | 171 | 0 | 112.1 | I201 R202 D203 Q207 | I201-K205 WeakPolarHBondContact CA-O 3.29Å; R202-K205 PolarHBondContact N-O 3Å; R202-K205 PolarHBondContact O-N 3.13Å; D203-K205 VanDerWaalsContact C-N 3.31Å; D203-K205 PolarHBondContact O-N 2.83Å; K205-Q207 PolarHBondContact O-N 2.9Å |
| 206 | P | 92.5 | Very high | 91.6 | Very high | 49 Ų | 49 | 68 Ų | 68 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.8 | 169.6 | -16.2 | 31.5 | 0 | 0 | 0 | 110.4 | F157 I173 S200 | F157-P206 WeakPolarHBondContact O-CB 3.47Å; I173-P206 HydrophobicContact CD1-CB 3.96Å; I173-P206 HydrophobicContact CD1-CG 3.79Å; I173-P206 HydrophobicContact CG1-CB 4.09Å; I173-P206 HydrophobicContact CG1-CG 4.46Å; S200-P206 WeakPolarHBondContact O-CA 3.39Å |
| 207 | Q | 94.6 | Very high | 91.4 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 149.1 | 175.7 | -170.8 | 174.9 | -28.2 | 0 | 0 | 110.8 | C158 S200 K205 | C158-Q207 PolarHBondContact SG-N 2.57Å; C158-Q207 VanDerWaalsContact SG-N 3.4Å; C158-Q207 PolarHBondContact SG-O 3.37Å; S200-Q207 PolarHBondContact N-O 2.92Å; S200-Q207 PolarHBondContact O-N 2.78Å; K205-Q207 PolarHBondContact O-N 2.9Å |
| 208 | F | 95 | Very high | 91.3 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 142 | 171.1 | -72.1 | -53.3 | 0 | 0 | 0 | 112 | C158 N159 L163 F168 P169 A177 T197 R198 C199 | C158-F208 HydrophobicContact CB-CD1 3.95Å; C158-F208 HydrophobicContact CB-CD2 4.16Å; C158-F208 HydrophobicContact CB-CE1 3.65Å; C158-F208 HydrophobicContact CB-CE2 3.91Å; C158-F208 HydrophobicContact CB-CG 4.18Å; C158-F208 HydrophobicContact CB-CZ 3.64Å; N159-F208 WeakPolarHBondContact O-CE2 3.39Å; L163-F208 HydrophobicContact CD1-CB 3.95Å; F168-F208 HydrophobicContact CB-CE2 4Å; F168-F208 HydrophobicContact CB-CZ 4.25Å; P169-F208 WeakPolarHBondContact O-CZ 3.49Å; A177-F208 HydrophobicContact CB-CD1 4.34Å; A177-F208 HydrophobicContact CB-CE1 3.53Å; A177-F208 HydrophobicContact CB-CZ 3.85Å; T197-F208 HydrophobicContact CG2-CB 3.82Å; T197-F208 HydrophobicContact CG2-CD1 3.58Å; T197-F208 HydrophobicContact CG2-CD2 4.4Å; T197-F208 HydrophobicContact CG2-CE1 4.23Å; T197-F208 HydrophobicContact CG2-CG 3.69Å; R198-F208 WeakPolarHBondContact O-CA 3.29Å; C199-F208 HydrophobicContact CB-CD1 4.11Å; C199-F208 HydrophobicContact CB-CE1 3.93Å |
| 209 | D | 91.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 72.6 Ų | 72.6 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | trans | -69.2 | 131.3 | 172.5 | -72.2 | -54 | 0 | 0 | 0 | 111.2 | T197 R198 S200 R202 | T197-D209 PolarHBondContact OG1-N 3.42Å; T197-D209 VanDerWaalsContact OG1-N 3.12Å; T197-D209 PolarHBondContact OG1-O 2.89Å; R198-D209 PolarHBondContact O-N 3.48Å; S200-D209 WeakPolarHBondContact CB-OD2 3.25Å; S200-D209 PolarHBondContact OG-OD2 3.19Å; R202-D209 IonicContact CZ-OD1 2.72Å; R202-D209 IonicContact NE-OD1 2.77Å; R202-D209 PolarHBondContact NE-OD1 3.29Å; R202-D209 IonicContact NH2-OD1 3.93Å; R202-D209 PolarHBondContact NH2-OD1 3.46Å | ||
| 210 | D | 87.4 | Confident | 91 | Very high | 105 Ų | 105 | 75 Ų | 75 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -124.9 | 134.9 | -175.8 | -169.9 | 57 | 0 | 0 | 0 | 109.1 | P212 | D210-P212 WeakPolarHBondContact OD1-CD 3.25Š|
| 211 | P | 90.5 | Very high | 91 | Very high | 102 Ų | 102 | 74.8 Ų | 74.8 | 66% | 0.662 | 40% | 0.396 | S | S | * | . | S | Bend | cis | -73.4 | 150.1 | 0.3 | 31.1 | -36.1 | 0 | 0 | 0 | 114 | ||
| 212 | P | 93.3 | Very high | 91 | Very high | 21 Ų | 21 | 72 Ų | 72 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 146 | 171.8 | 28.8 | -35.5 | 0 | 0 | 0 | 111.3 | L163 F166 F168 D210 | L163-P212 HydrophobicContact CB-CG 4.03Å; F166-P212 HydrophobicContact CD2-CG 4.31Å; F168-P212 HydrophobicContact CE2-CB 3.88Å; F168-P212 HydrophobicContact CE2-CG 4.33Å; F168-P212 HydrophobicContact CZ-CB 3.81Å; D210-P212 WeakPolarHBondContact OD1-CD 3.25Å |
| 213 | R | 93.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 68.1 Ų | 68.1 | 32% | 0.317 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130.8 | 178.4 | -56.6 | -64.5 | 175.7 | 127.1 | 9.4 | 109.5 | A195 S196 E235 | A195-R213 CarbonylContact C-O 3.59Å; A195-R213 WeakPolarHBondContact CA-O 3.29Å; A195-R213 WeakPolarHBondContact CB-O 3.24Å; S196-R213 PolarHBondContact N-O 2.87Å; S196-R213 PolarHBondContact O-N 3.04Å; R213-E235 IonicContact CZ-OE2 2.9Å; R213-E235 VanDerWaalsContact CZ-OE2 3.24Å; R213-E235 IonicContact NH1-OE2 3.91Å; R213-E235 PolarHBondContact NH1-OE2 2.93Å; R213-E235 IonicContact NH2-OE2 3.24Å; R213-E235 PolarHBondContact NH2-OE2 3.15Å |
| 214 | V | 93.8 | Very high | 91.4 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131 | -170.7 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | F166 Q194 A195 | F166-V214 HydrophobicContact CE2-CG1 4.46Å; F166-V214 HydrophobicContact CE2-CG2 3.6Å; F166-V214 HydrophobicContact CZ-CG1 3.94Å; F166-V214 HydrophobicContact CZ-CG2 3.93Å; Q194-V214 CarbonylContact O-C 3.27Å; Q194-V214 WeakPolarHBondContact O-CA 3.31Å; Q194-V214 WeakPolarHBondContact O-CG1 2.99Å; A195-V214 HydrophobicContact CB-CG2 4.3Å |
| 215 | L | 93.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | trans | -76.3 | 133.3 | 173.3 | 179.1 | 63.2 | 0 | 0 | 0 | 110.3 | K192 Q194 C217 L243 L244 | K192-L215 HydrophobicContact CB-CD2 4.38Å; Q194-L215 PolarHBondContact O-N 3.03Å; L215-C217 PolarHBondContact O-N 3.02Å; L215-L243 HydrophobicContact CB-CB 4.25Å; L215-L243 HydrophobicContact CB-CD1 3.88Å; L215-L243 HydrophobicContact CD1-CB 4.37Å; L215-L243 HydrophobicContact CD2-CB 4.31Å; L215-L244 HydrophobicContact CD1-CD1 4.47Å; L215-L244 HydrophobicContact CD1-CD2 4.14Å; L215-L244 HydrophobicContact CD1-CG 4Å; L215-L244 HydrophobicContact CD2-CD2 3.85Å; L215-L244 HydrophobicContact CD2-CG 4.36Å | ||
| 216 | Q | 93 | Very high | 91.4 | Very high | 135 Ų | 135 | 61 Ų | 61 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | trans | -77.3 | 108.5 | 163.4 | -63.4 | -175.5 | 9.9 | 0 | 0 | 108.3 | E218 Q219 | Q216-E218 PolarHBondContact O-N 3.2Å; Q216-Q219 HydrophobicContact CB-CB 4.14Å; Q216-Q219 VanDerWaalsContact O-CB 3.23Å; Q216-Q219 WeakPolarHBondContact O-CB 3.34Å; Q216-Q219 PolarHBondContact O-N 2.04Å | ||
| 217 | C | 91.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 62 Ų | 62 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -13.3 | -169.9 | -69.4 | 0 | 0 | 0 | 0 | 115.9 | C183 T187 A188 G189 L215 | C183-C217 VanDerWaalsContact CA-SG 3.52Å; C183-C217 HydrophobicContact CB-CB 3.65Å; C183-C217 WeakPolarHBondContact CB-SG 3.35Å; C183-C217 VanDerWaalsContact SG-CA 3.51Å; C183-C217 WeakPolarHBondContact SG-CB 3.26Å; C183-C217 CovalentContact SG-SG 2.04Å; C183-C217 PolarHBondContact SG-SG 3.19Å; T187-C217 VanDerWaalsContact CB-O 3.3Å; T187-C217 WeakPolarHBondContact CB-O 3.29Å; T187-C217 HydrophobicContact CG2-CB 4.17Å; T187-C217 PolarHBondContact OG1-O 3.26Å; A188-C217 PolarHBondContact N-O 2.81Å; G189-C217 PolarHBondContact N-O 3.25Å; L215-C217 PolarHBondContact O-N 3.02Å |
| 218 | E | 92.3 | Very high | 90.5 | Very high | 118 Ų | 118 | 58 Ų | 58 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.5 | 173.7 | -51.9 | -52.7 | 161.3 | 0 | 0 | 114 | T187 A188 Q216 | T187-E218 WeakPolarHBondContact CA-OE2 3.17Å; T187-E218 VanDerWaalsContact CB-OE1 3.28Å; T187-E218 WeakPolarHBondContact CB-OE1 3.21Å; T187-E218 WeakPolarHBondContact CB-OE2 3.44Å; T187-E218 WeakPolarHBondContact CG2-OE1 3.49Å; A188-E218 WeakPolarHBondContact CB-O 3.49Å; A188-E218 PolarHBondContact N-OE2 3.06Å; A188-E218 VanDerWaalsContact N-OE2 3.16Å; Q216-E218 PolarHBondContact O-N 3.2Å |
| 219 | Q | 89.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 64 Ų | 64 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | trans | -80.3 | 130.6 | -176.6 | -172.8 | 174.3 | 24.6 | 0 | 0 | 111.6 | Q216 D223 I224 S240 | Q216-Q219 HydrophobicContact CB-CB 4.14Å; Q216-Q219 VanDerWaalsContact O-CB 3.23Å; Q216-Q219 WeakPolarHBondContact O-CB 3.34Å; Q216-Q219 PolarHBondContact O-N 2.04Å; Q219-D223 HydrophobicContact CG-CB 4.47Å; Q219-I224 HydrophobicContact CG-CG1 4.05Å; Q219-S240 PolarHBondContact OE1-OG 3.33Å | ||
| 220 | T | 91.7 | Very high | 87.9 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | trans | -97.7 | 164.1 | 172.1 | 75 | 0 | 0 | 0 | 0 | 112.3 | A188 S222 D223 I224 | A188-T220 HydrophobicContact CB-CG2 4Å; T220-S222 PolarHBondContact O-N 2.87Å; T220-S222 WeakPolarHBondContact OG1-CB 3.49Å; T220-S222 PolarHBondContact OG1-N 2.82Å; T220-D223 WeakPolarHBondContact CB-OD2 3.44Å; T220-D223 PolarHBondContact N-OD2 2.92Å; T220-D223 VanDerWaalsContact N-OD2 3.16Å; T220-D223 PolarHBondContact O-N 3.02Å; T220-D223 VanDerWaalsContact O-N 3.15Å; T220-D223 PolarHBondContact OG1-N 2.86Å; T220-D223 PolarHBondContact OG1-OD2 3Å; T220-I224 PolarHBondContact O-N 3.05Å; T220-I224 VanDerWaalsContact O-N 3.15Å | ||
| 221 | L | 91.9 | Very high | 86.4 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.3 | -39.3 | 168.9 | -69.8 | 169.3 | 0 | 0 | 0 | 111.3 | D223 I224 Q225 L244 T245 D255 V258 A259 I262 | L221-D223 VanDerWaalsContact C-N 3.26Å; L221-D223 PolarHBondContact O-N 2.61Å; L221-I224 HydrophobicContact CD2-CD1 4.5Å; L221-I224 WeakPolarHBondContact O-CB 3.22Å; L221-I224 PolarHBondContact O-N 3.04Å; L221-Q225 PolarHBondContact O-N 3.37Å; L221-L244 HydrophobicContact CD2-CB 3.99Å; L221-L244 HydrophobicContact CD2-CD1 3.97Å; L221-L244 HydrophobicContact CG-CB 4.24Å; L221-L244 HydrophobicContact CG-CD1 4.03Å; L221-T245 HydrophobicContact CD1-CG2 4.37Å; L221-T245 HydrophobicContact CD2-CG2 4.47Å; L221-D255 HydrophobicContact CD1-CB 3.84Å; L221-V258 HydrophobicContact CB-CB 4.45Å; L221-V258 HydrophobicContact CB-CG1 3.8Å; L221-A259 HydrophobicContact CD1-CB 4.25Å; L221-A259 HydrophobicContact CD2-CB 4.49Å; L221-I262 HydrophobicContact CB-CD1 4.19Å; L221-I262 HydrophobicContact CD2-CD1 4.06Å; L221-I262 WeakPolarHBondContact O-CD1 3.45Å |
| 222 | S | 89.7 | Confident | 85.1 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -31.8 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | T220 R226 | T220-S222 PolarHBondContact O-N 2.87Å; T220-S222 WeakPolarHBondContact OG1-CB 3.49Å; T220-S222 PolarHBondContact OG1-N 2.82Å; S222-R226 WeakPolarHBondContact O-CD 3.44Å; S222-R226 VanDerWaalsContact O-CG 3.3Å; S222-R226 WeakPolarHBondContact O-CG 3.27Å; S222-R226 PolarHBondContact O-N 3.13Å; S222-R226 VanDerWaalsContact O-N 3.16Å |
| 223 | D | 89.2 | Confident | 84.5 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -79.1 | -35 | 177.4 | -54.7 | -49.3 | 0 | 0 | 0 | 111.9 | Q219 T220 L221 Q225 R226 N227 | Q219-D223 HydrophobicContact CG-CB 4.47Å; T220-D223 WeakPolarHBondContact CB-OD2 3.44Å; T220-D223 PolarHBondContact N-OD2 2.92Å; T220-D223 VanDerWaalsContact N-OD2 3.16Å; T220-D223 PolarHBondContact O-N 3.02Å; T220-D223 VanDerWaalsContact O-N 3.15Å; T220-D223 PolarHBondContact OG1-N 2.86Å; T220-D223 PolarHBondContact OG1-OD2 3Å; L221-D223 VanDerWaalsContact C-N 3.26Å; L221-D223 PolarHBondContact O-N 2.61Å; D223-Q225 VanDerWaalsContact C-N 3.33Å; D223-R226 PolarHBondContact O-N 3Å; D223-R226 IonicContact OD1-CZ 2.7Å; D223-R226 IonicContact OD1-NH1 2.73Å; D223-R226 PolarHBondContact OD1-NH1 2.69Å; D223-N227 WeakPolarHBondContact O-CB 3.25Å; D223-N227 PolarHBondContact O-N 3.24Å; D223-N227 VanDerWaalsContact O-N 3.1Å; D223-N227 PolarHBondContact O-ND2 2.55Å |
| 224 | I | 89.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 167.6 | -65.3 | 170 | 0 | 0 | 0 | 109.5 | Q219 T220 L221 R226 N227 L228 L237 A241 L244 I262 | Q219-I224 HydrophobicContact CG-CG1 4.05Å; T220-I224 PolarHBondContact O-N 3.05Å; T220-I224 VanDerWaalsContact O-N 3.15Å; L221-I224 HydrophobicContact CD2-CD1 4.5Å; L221-I224 WeakPolarHBondContact O-CB 3.22Å; L221-I224 PolarHBondContact O-N 3.04Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 3.4Å; I224-N227 PolarHBondContact O-N 2.81Å; I224-L228 WeakPolarHBondContact O-CG 3.3Å; I224-L228 PolarHBondContact O-N 3.24Å; I224-L237 HydrophobicContact CG1-CD2 4.47Å; I224-L237 HydrophobicContact CG2-CB 4.16Å; I224-L237 HydrophobicContact CG2-CD2 4.31Å; I224-A241 HydrophobicContact CD1-CB 4.31Å; I224-L244 HydrophobicContact CD1-CD1 3.8Å; I224-I262 HydrophobicContact CB-CD1 4.07Å; I224-I262 HydrophobicContact CG2-CD1 3.89Å; I224-I262 HydrophobicContact CG2-CG1 4.26Å; I224-I262 HydrophobicContact CG2-CG2 4.17Å |
| 225 | Q | 88.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | -179.6 | -172.2 | 176.8 | 27.5 | 0 | 0 | 112.7 | L221 D223 N227 V258 I262 | L221-Q225 PolarHBondContact O-N 3.37Å; D223-Q225 VanDerWaalsContact C-N 3.33Å; Q225-N227 VanDerWaalsContact C-N 3.33Å; Q225-N227 PolarHBondContact O-N 3.04Å; Q225-V258 HydrophobicContact CB-CG1 4.24Å; Q225-I262 HydrophobicContact CB-CD1 4.33Å; Q225-I262 HydrophobicContact CB-CG1 4.12Å |
| 226 | R | 86.6 | Confident | 83.7 | Confident | 165 Ų | 165 | 65.6 Ų | 65.6 | 62% | 0.623 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | 175 | -70.5 | 163.5 | -177.6 | 146.2 | -0.3 | 112.9 | S222 D223 I224 T229 | S222-R226 WeakPolarHBondContact O-CD 3.44Å; S222-R226 VanDerWaalsContact O-CG 3.3Å; S222-R226 WeakPolarHBondContact O-CG 3.27Å; S222-R226 PolarHBondContact O-N 3.13Å; S222-R226 VanDerWaalsContact O-N 3.16Å; D223-R226 PolarHBondContact O-N 3Å; D223-R226 IonicContact OD1-CZ 2.7Å; D223-R226 IonicContact OD1-NH1 2.73Å; D223-R226 PolarHBondContact OD1-NH1 2.69Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 3.4Å; R226-T229 PolarHBondContact O-OG1 2.86Å; R226-T229 VanDerWaalsContact O-OG1 3.11Å |
| 227 | N | 85.8 | Confident | 83.6 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -82.8 | -20.3 | -175.8 | -69 | -11 | 0 | 0 | 0 | 113.4 | D223 I224 Q225 T229 S230 L237 | D223-N227 WeakPolarHBondContact O-CB 3.25Å; D223-N227 PolarHBondContact O-N 3.24Å; D223-N227 VanDerWaalsContact O-N 3.1Å; D223-N227 PolarHBondContact O-ND2 2.55Å; I224-N227 PolarHBondContact O-N 2.81Å; Q225-N227 VanDerWaalsContact C-N 3.33Å; Q225-N227 PolarHBondContact O-N 3.04Å; N227-T229 PolarHBondContact O-N 2.97Å; N227-S230 WeakPolarHBondContact O-CB 3.24Å; N227-S230 PolarHBondContact O-N 3.11Å; N227-S230 PolarHBondContact O-OG 3.46Å; N227-L237 HydrophobicContact CB-CD1 4.05Å; N227-L237 HydrophobicContact CB-CD2 4.09Å |
| 228 | L | 80.7 | Confident | 83.6 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.9 | 175.9 | -74.9 | 173.3 | 0 | 0 | 0 | 114.2 | I224 S230 L234 L237 I262 T265 L266 | I224-L228 WeakPolarHBondContact O-CG 3.3Å; I224-L228 PolarHBondContact O-N 3.24Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-L234 HydrophobicContact CD2-CD2 4.04Å; L228-L237 HydrophobicContact CD2-CB 4.28Å; L228-L237 HydrophobicContact CD2-CD1 3.86Å; L228-L237 HydrophobicContact CG-CD1 4.26Å; L228-I262 HydrophobicContact CD1-CB 4.22Å; L228-I262 HydrophobicContact CD1-CG1 3.97Å; L228-I262 HydrophobicContact CD1-CG2 4.18Å; L228-T265 HydrophobicContact CB-CG2 4.4Å; L228-T265 HydrophobicContact CD1-CG2 4.15Å; L228-L266 HydrophobicContact CD2-CD2 3.58Å; L228-L266 HydrophobicContact CD2-CG 4.07Å |
| 229 | T | 68.6 | Low | 83.7 | Confident | 133 Ų | 133 | 53 Ų | 53 | 82% | 0.816 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.7 | 176 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | R226 N227 | R226-T229 PolarHBondContact O-OG1 2.86Å; R226-T229 VanDerWaalsContact O-OG1 3.11Å; N227-T229 PolarHBondContact O-N 2.97Å |
| 230 | S | 63.8 | Low | 83.8 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 169.2 | 173.5 | 75.9 | 0 | 0 | 0 | 0 | 111 | N227 L228 A232 | N227-S230 WeakPolarHBondContact O-CB 3.24Å; N227-S230 PolarHBondContact O-N 3.11Å; N227-S230 PolarHBondContact O-OG 3.46Å; L228-S230 VanDerWaalsContact C-N 3.34Å; S230-A232 PolarHBondContact O-N 2.9Å; S230-A232 WeakPolarHBondContact OG-CB 3.28Å |
| 231 | S | 56 | Low | 84 | Confident | 134 Ų | 134 | 49.8 Ų | 49.8 | 94% | 0.937 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 40.6 | 174.1 | 65.7 | 0 | 0 | 0 | 0 | 113 | ||
| 232 | A | 63.7 | Low | 84.1 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | trans | -76 | 157.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S230 L234 L237 | S230-A232 PolarHBondContact O-N 2.9Å; S230-A232 WeakPolarHBondContact OG-CB 3.28Å; A232-L234 PolarHBondContact O-N 2.72Å; A232-L237 HydrophobicContact CB-CD1 3.83Å; A232-L237 HydrophobicContact CB-CG 4.41Å | ||
| 233 | D | 80.8 | Confident | 84.4 | Confident | 87 Ų | 87 | 47 Ų | 47 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | trans | -66.4 | 107.1 | 172.9 | -176.9 | -6.8 | 0 | 0 | 0 | 110.3 | E235 V236 L237 | D233-E235 PolarHBondContact O-N 3.23Å; D233-E235 VanDerWaalsContact OD1-CB 3.32Å; D233-E235 WeakPolarHBondContact OD1-CB 3.33Å; D233-E235 PolarHBondContact OD1-N 3.02Å; D233-V236 HydrophobicContact CB-CB 4.29Å; D233-V236 HydrophobicContact CB-CG2 4.12Å; D233-V236 PolarHBondContact O-N 3.41Å; D233-V236 VanDerWaalsContact O-N 3.17Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.29Å; D233-L237 PolarHBondContact O-N 2.97Å; D233-L237 VanDerWaalsContact O-N 3.12Å | ||
| 234 | L | 87.1 | Confident | 84.6 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.199 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -26.7 | 178.9 | -64.3 | 179.7 | 0 | 0 | 0 | 112.4 | L228 A232 A238 L266 V276 | L228-L234 HydrophobicContact CD2-CD2 4.04Å; A232-L234 PolarHBondContact O-N 2.72Å; L234-A238 WeakPolarHBondContact O-CB 3.22Å; L234-A238 PolarHBondContact O-N 3.38Å; L234-L266 HydrophobicContact CB-CD2 4.47Å; L234-L266 HydrophobicContact CD2-CD2 4.14Å; L234-V276 HydrophobicContact CB-CG1 4.46Å; L234-V276 HydrophobicContact CB-CG2 3.87Å |
| 235 | E | 87.7 | Confident | 84.8 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -41 | 175.8 | -61.8 | -163.2 | 152.7 | 0 | 0 | 111.4 | R213 D233 S239 S273 T275 V276 | R213-E235 IonicContact CZ-OE2 2.9Å; R213-E235 VanDerWaalsContact CZ-OE2 3.24Å; R213-E235 IonicContact NH1-OE2 3.91Å; R213-E235 PolarHBondContact NH1-OE2 2.93Å; R213-E235 IonicContact NH2-OE2 3.24Å; R213-E235 PolarHBondContact NH2-OE2 3.15Å; D233-E235 PolarHBondContact O-N 3.23Å; D233-E235 VanDerWaalsContact OD1-CB 3.32Å; D233-E235 WeakPolarHBondContact OD1-CB 3.33Å; D233-E235 PolarHBondContact OD1-N 3.02Å; E235-S239 WeakPolarHBondContact O-CB 3.24Å; E235-S239 PolarHBondContact O-N 3.06Å; E235-S239 PolarHBondContact O-OG 3.44Å; E235-S273 PolarHBondContact OE1-OG 3.36Å; E235-T275 PolarHBondContact OE1-OG1 3.12Å; E235-V276 HydrophobicContact CB-CG2 4.45Å; E235-V276 HydrophobicContact CG-CG2 3.83Å |
| 236 | V | 88.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 43.1 Ų | 43.1 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | D233 S239 S240 | D233-V236 HydrophobicContact CB-CB 4.29Å; D233-V236 HydrophobicContact CB-CG2 4.12Å; D233-V236 PolarHBondContact O-N 3.41Å; D233-V236 VanDerWaalsContact O-N 3.17Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.29Å; V236-S239 PolarHBondContact O-N 3.16Å; V236-S240 WeakPolarHBondContact O-CB 3.45Å; V236-S240 PolarHBondContact O-N 3.39Å; V236-S240 PolarHBondContact O-OG 3.34Å |
| 237 | L | 91.2 | Very high | 85.3 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 177.1 | -67 | -174.5 | 0 | 0 | 0 | 112.1 | I224 N227 L228 A232 D233 S240 A241 | I224-L237 HydrophobicContact CG1-CD2 4.47Å; I224-L237 HydrophobicContact CG2-CB 4.16Å; I224-L237 HydrophobicContact CG2-CD2 4.31Å; N227-L237 HydrophobicContact CB-CD1 4.05Å; N227-L237 HydrophobicContact CB-CD2 4.09Å; L228-L237 HydrophobicContact CD2-CB 4.28Å; L228-L237 HydrophobicContact CD2-CD1 3.86Å; L228-L237 HydrophobicContact CG-CD1 4.26Å; A232-L237 HydrophobicContact CB-CD1 3.83Å; A232-L237 HydrophobicContact CB-CG 4.41Å; D233-L237 PolarHBondContact O-N 2.97Å; D233-L237 VanDerWaalsContact O-N 3.12Å; L237-S240 PolarHBondContact O-N 2.87Å; L237-A241 PolarHBondContact O-N 3.44Å |
| 238 | A | 92.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L234 A241 Q242 L266 V276 A279 | L234-A238 WeakPolarHBondContact O-CB 3.22Å; L234-A238 PolarHBondContact O-N 3.38Å; A238-A241 PolarHBondContact O-N 3.49Å; A238-Q242 WeakPolarHBondContact O-CG 3.45Å; A238-Q242 PolarHBondContact O-N 3.13Å; A238-L266 HydrophobicContact CB-CD1 3.7Å; A238-L266 HydrophobicContact CB-CD2 4.4Å; A238-V276 HydrophobicContact CB-CG1 4.17Å; A238-A279 HydrophobicContact CB-CB 3.83Å |
| 239 | S | 92.9 | Very high | 85.6 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.9 | E235 V236 Q242 L243 | E235-S239 WeakPolarHBondContact O-CB 3.24Å; E235-S239 PolarHBondContact O-N 3.06Å; E235-S239 PolarHBondContact O-OG 3.44Å; V236-S239 PolarHBondContact O-N 3.16Å; S239-Q242 PolarHBondContact O-NE2 2.9Å; S239-L243 WeakPolarHBondContact O-CB 3.36Å; S239-L243 WeakPolarHBondContact O-CD1 3.4Å; S239-L243 WeakPolarHBondContact O-CG 3.39Å; S239-L243 PolarHBondContact O-N 3.25Å; S239-L243 VanDerWaalsContact O-N 3.13Å |
| 240 | S | 93.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -36.1 | 178 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | Q219 V236 L237 L243 L244 | Q219-S240 PolarHBondContact OE1-OG 3.33Å; V236-S240 WeakPolarHBondContact O-CB 3.45Å; V236-S240 PolarHBondContact O-N 3.39Å; V236-S240 PolarHBondContact O-OG 3.34Å; L237-S240 PolarHBondContact O-N 2.87Å; S240-L243 PolarHBondContact O-N 2.84Å; S240-L244 WeakPolarHBondContact O-CG 3.31Å; S240-L244 PolarHBondContact O-N 3.24Å |
| 241 | A | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -56.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I224 L237 A238 L243 L244 T245 I262 | I224-A241 HydrophobicContact CD1-CB 4.31Å; L237-A241 PolarHBondContact O-N 3.44Å; A238-A241 PolarHBondContact O-N 3.49Å; A241-L243 PolarHBondContact O-N 2.81Å; A241-L244 PolarHBondContact O-N 3.23Å; A241-T245 PolarHBondContact O-N 3.25Å; A241-T245 PolarHBondContact O-OG1 2.8Å; A241-I262 HydrophobicContact CB-CG2 3.88Å |
| 242 | Q | 95 | Very high | 89 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -22.8 | 179.2 | 63.4 | 79.7 | 37.5 | 0 | 0 | 113.8 | S196 A238 S239 S246 A279 A282 Q286 | S196-Q242 PolarHBondContact OG-NE2 2.88Å; A238-Q242 WeakPolarHBondContact O-CG 3.45Å; A238-Q242 PolarHBondContact O-N 3.13Å; S239-Q242 PolarHBondContact O-NE2 2.9Å; Q242-S246 WeakPolarHBondContact O-CB 3.17Å; Q242-S246 PolarHBondContact O-N 2.83Å; Q242-S246 VanDerWaalsContact O-N 3.12Å; Q242-A279 HydrophobicContact CG-CB 4.16Å; Q242-A282 HydrophobicContact CB-CB 4.41Å; Q242-Q286 PolarHBondContact O-NE2 2.97Å; Q242-Q286 PolarHBondContact O-OE1 2.77Å |
| 243 | L | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.7 | -42 | 170.1 | -84.6 | 162.4 | 0 | 0 | 0 | 111.9 | Y178 P193 L215 S239 S240 A241 S246 | Y178-L243 HydrophobicContact CD1-CD2 4.21Å; P193-L243 HydrophobicContact CB-CD2 4.27Å; P193-L243 HydrophobicContact CG-CD2 3.79Å; L215-L243 HydrophobicContact CB-CB 4.25Å; L215-L243 HydrophobicContact CB-CD1 3.88Å; L215-L243 HydrophobicContact CD1-CB 4.37Å; L215-L243 HydrophobicContact CD2-CB 4.31Å; S239-L243 WeakPolarHBondContact O-CB 3.36Å; S239-L243 WeakPolarHBondContact O-CD1 3.4Å; S239-L243 WeakPolarHBondContact O-CG 3.39Å; S239-L243 PolarHBondContact O-N 3.25Å; S239-L243 VanDerWaalsContact O-N 3.13Å; S240-L243 PolarHBondContact O-N 2.84Å; A241-L243 PolarHBondContact O-N 2.81Å; L243-S246 WeakPolarHBondContact O-CB 3.43Å; L243-S246 PolarHBondContact O-OG 3.33Å |
| 244 | L | 94.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.7 | -36.3 | 177.5 | -69.7 | 171 | 0 | 0 | 0 | 112.5 | K192 L215 L221 I224 S240 A241 S246 | K192-L244 WeakPolarHBondContact CD-O 3.43Å; K192-L244 VanDerWaalsContact CE-O 3.28Å; K192-L244 WeakPolarHBondContact CE-O 3.48Å; K192-L244 PolarHBondContact NZ-O 3.1Å; L215-L244 HydrophobicContact CD1-CD1 4.47Å; L215-L244 HydrophobicContact CD1-CD2 4.14Å; L215-L244 HydrophobicContact CD1-CG 4Å; L215-L244 HydrophobicContact CD2-CD2 3.85Å; L215-L244 HydrophobicContact CD2-CG 4.36Å; L221-L244 HydrophobicContact CD2-CB 3.99Å; L221-L244 HydrophobicContact CD2-CD1 3.97Å; L221-L244 HydrophobicContact CG-CB 4.24Å; L221-L244 HydrophobicContact CG-CD1 4.03Å; I224-L244 HydrophobicContact CD1-CD1 3.8Å; S240-L244 WeakPolarHBondContact O-CG 3.31Å; S240-L244 PolarHBondContact O-N 3.24Å; A241-L244 PolarHBondContact O-N 3.23Å; L244-S246 VanDerWaalsContact C-N 3.34Å |
| 245 | T | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -84.7 | -1.8 | 176.6 | 47.5 | 0 | 0 | 0 | 0 | 114.5 | L221 A241 R247 L251 A259 T283 Q286 L287 | L221-T245 HydrophobicContact CD1-CG2 4.37Å; L221-T245 HydrophobicContact CD2-CG2 4.47Å; A241-T245 PolarHBondContact O-N 3.25Å; A241-T245 PolarHBondContact O-OG1 2.8Å; T245-R247 CarbonylContact O-C 3.59Å; T245-R247 PolarHBondContact O-N 2.74Å; T245-L251 HydrophobicContact CG2-CD1 3.88Å; T245-L251 HydrophobicContact CG2-CD2 4.25Å; T245-A259 HydrophobicContact CG2-CB 3.68Å; T245-T283 HydrophobicContact CG2-CG2 4.4Å; T245-Q286 PolarHBondContact O-OE1 3.09Å; T245-Q286 PolarHBondContact OG1-OE1 3.47Å; T245-L287 HydrophobicContact CG2-CD2 4.24Å |
| 246 | S | 93.6 | Very high | 90.3 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -15.9 | -179.3 | 64.7 | 0 | 0 | 0 | 0 | 116.1 | Y178 P193 Q242 L243 L244 | Y178-S246 VanDerWaalsContact CE1-CB 3.46Å; P193-S246 WeakPolarHBondContact CD-OG 3.45Å; P193-S246 WeakPolarHBondContact CG-OG 3.45Å; Q242-S246 WeakPolarHBondContact O-CB 3.17Å; Q242-S246 PolarHBondContact O-N 2.83Å; Q242-S246 VanDerWaalsContact O-N 3.12Å; L243-S246 WeakPolarHBondContact O-CB 3.43Å; L243-S246 PolarHBondContact O-OG 3.33Å; L244-S246 VanDerWaalsContact C-N 3.34Å |
| 247 | R | 91.1 | Very high | 90.3 | Very high | 81 Ų | 81 | 32.1 Ų | 32.1 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | trans | -118.7 | 98.4 | 164.3 | -64.2 | -144.4 | -159.8 | 95.6 | 18.6 | 111.1 | G191 K192 T245 A249 D250 | G191-R247 PolarHBondContact O-NH1 2.68Å; G191-R247 PolarHBondContact O-NH2 2.86Å; K192-R247 PolarHBondContact NZ-O 3.36Å; T245-R247 CarbonylContact O-C 3.59Å; T245-R247 PolarHBondContact O-N 2.74Å; R247-A249 VanDerWaalsContact C-N 3.25Å; R247-A249 PolarHBondContact O-N 2.58Å; R247-D250 HydrophobicContact CB-CB 4.18Å; R247-D250 WeakPolarHBondContact CB-OD2 3.29Å; R247-D250 WeakPolarHBondContact CD-OD2 3.34Å; R247-D250 IonicContact NH1-OD2 3.52Å; R247-D250 PolarHBondContact NH1-OD2 3.17Å; R247-D250 PolarHBondContact O-N 3.45Å | ||
| 248 | P | 87.6 | Confident | 90.3 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -65 | -22 | 178.2 | -26.5 | 37.1 | 0 | 0 | 0 | 115.2 | D250 Q286 N289 V290 | P248-D250 VanDerWaalsContact C-N 3.28Å; P248-Q286 HydrophobicContact CG-CB 4.22Å; P248-Q286 VanDerWaalsContact CG-O 3.22Å; P248-Q286 WeakPolarHBondContact CG-O 3.44Å; P248-N289 HydrophobicContact CB-CB 4.46Å; P248-N289 WeakPolarHBondContact CB-O 3.5Å; P248-N289 HydrophobicContact CG-CB 4.27Å; P248-V290 HydrophobicContact CB-CB 4.45Å; P248-V290 HydrophobicContact CB-CG2 3.81Å |
| 249 | A | 86.1 | Confident | 90.3 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 60% | 0.595 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -74.9 | -17.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R247 | R247-A249 VanDerWaalsContact C-N 3.25Å; R247-A249 PolarHBondContact O-N 2.58Å |
| 250 | D | 86.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 32.3 Ų | 32.3 | 43% | 0.433 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -101.9 | 19.2 | -177.7 | -52.7 | -18.9 | 0 | 0 | 0 | 111.6 | R247 P248 | R247-D250 HydrophobicContact CB-CB 4.18Å; R247-D250 WeakPolarHBondContact CB-OD2 3.29Å; R247-D250 WeakPolarHBondContact CD-OD2 3.34Å; R247-D250 IonicContact NH1-OD2 3.52Å; R247-D250 PolarHBondContact NH1-OD2 3.17Å; R247-D250 PolarHBondContact O-N 3.45Å; P248-D250 VanDerWaalsContact C-N 3.28Å |
| 251 | L | 86.8 | Confident | 90.1 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | trans | -108.7 | 135.9 | -175.7 | -63.1 | 179.9 | 0 | 0 | 0 | 112 | T245 D255 V256 L287 V290 | T245-L251 HydrophobicContact CG2-CD1 3.88Å; T245-L251 HydrophobicContact CG2-CD2 4.25Å; L251-D255 HydrophobicContact CB-CB 4.28Å; L251-D255 HydrophobicContact CD2-CB 4.05Å; L251-V256 HydrophobicContact CB-CG2 4.16Å; L251-V256 HydrophobicContact CD1-CG2 4.46Å; L251-L287 HydrophobicContact CD1-CD2 4Å; L251-V290 HydrophobicContact CD1-CG2 4.06Å | ||
| 252 | T | 86.8 | Confident | 90 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | trans | -80.9 | 160.6 | 170.2 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | E254 D255 V256 | T252-E254 PolarHBondContact O-N 3.47Å; T252-D255 WeakPolarHBondContact CB-OD2 3.49Å; T252-D255 PolarHBondContact N-OD2 3.11Å; T252-D255 WeakPolarHBondContact O-CB 3.33Å; T252-D255 PolarHBondContact O-N 2.73Å; T252-D255 VanDerWaalsContact O-N 3.11Å; T252-D255 PolarHBondContact OG1-N 3.08Å; T252-D255 PolarHBondContact OG1-OD2 3.01Å; T252-V256 WeakPolarHBondContact O-CG2 3.4Å; T252-V256 PolarHBondContact O-N 3.36Å | ||
| 253 | P | 84.4 | Confident | 89.9 | Confident | 62 Ų | 62 | 35.5 Ų | 35.5 | 40% | 0.403 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.9 | -32.2 | 171.2 | -25.6 | 35.9 | 0 | 0 | 0 | 113.3 | T257 | P253-T257 WeakPolarHBondContact O-CB 3.3Å; P253-T257 PolarHBondContact O-N 2.76Å; P253-T257 PolarHBondContact O-OG1 3.48Å |
| 254 | E | 85.3 | Confident | 89.7 | Confident | 131 Ų | 131 | 36.2 Ų | 36.2 | 61% | 0.612 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -66.7 | -48.5 | 173.1 | -68.5 | 67.7 | -154.2 | 0 | 0 | 111.3 | T252 V256 T257 V258 | T252-E254 PolarHBondContact O-N 3.47Å; E254-V256 VanDerWaalsContact C-N 3.32Å; E254-V256 PolarHBondContact O-N 2.97Å; E254-T257 WeakPolarHBondContact O-CB 3.23Å; E254-T257 PolarHBondContact O-N 3.31Å; E254-T257 VanDerWaalsContact O-N 3.14Å; E254-V258 WeakPolarHBondContact O-CG2 3.42Å; E254-V258 PolarHBondContact O-N 2.89Å |
| 255 | D | 88.4 | Confident | 89.5 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 175 | -66.3 | -55.8 | 0 | 0 | 0 | 111.8 | L221 L251 T252 T257 V258 A259 | L221-D255 HydrophobicContact CD1-CB 3.84Å; L251-D255 HydrophobicContact CB-CB 4.28Å; L251-D255 HydrophobicContact CD2-CB 4.05Å; T252-D255 WeakPolarHBondContact CB-OD2 3.49Å; T252-D255 PolarHBondContact N-OD2 3.11Å; T252-D255 WeakPolarHBondContact O-CB 3.33Å; T252-D255 PolarHBondContact O-N 2.73Å; T252-D255 VanDerWaalsContact O-N 3.11Å; T252-D255 PolarHBondContact OG1-N 3.08Å; T252-D255 PolarHBondContact OG1-OD2 3.01Å; D255-T257 VanDerWaalsContact C-N 3.31Å; D255-T257 PolarHBondContact O-N 2.87Å; D255-V258 PolarHBondContact O-N 2.93Å; D255-A259 WeakPolarHBondContact O-CB 3.32Å; D255-A259 PolarHBondContact O-N 3.38Å |
| 256 | V | 88.1 | Confident | 89.3 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.2 | 171 | 0 | 0 | 0 | 0 | 110.9 | L251 T252 E254 A260 L287 V290 | L251-V256 HydrophobicContact CB-CG2 4.16Å; L251-V256 HydrophobicContact CD1-CG2 4.46Å; T252-V256 WeakPolarHBondContact O-CG2 3.4Å; T252-V256 PolarHBondContact O-N 3.36Å; E254-V256 VanDerWaalsContact C-N 3.32Å; E254-V256 PolarHBondContact O-N 2.97Å; V256-A260 VanDerWaalsContact O-CB 3.27Å; V256-A260 WeakPolarHBondContact O-CB 3.43Å; V256-A260 PolarHBondContact O-N 2.84Å; V256-L287 HydrophobicContact CB-CD2 4.41Å; V256-L287 HydrophobicContact CG1-CD2 4.3Å; V256-L287 HydrophobicContact CG2-CD2 4.15Å; V256-V290 HydrophobicContact CG2-CG1 4.14Å; V256-V290 HydrophobicContact CG2-CG2 3.94Å |
| 257 | T | 88.6 | Confident | 89.1 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -44 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | P253 E254 D255 Q261 T298 T300 | P253-T257 WeakPolarHBondContact O-CB 3.3Å; P253-T257 PolarHBondContact O-N 2.76Å; P253-T257 PolarHBondContact O-OG1 3.48Å; E254-T257 WeakPolarHBondContact O-CB 3.23Å; E254-T257 PolarHBondContact O-N 3.31Å; E254-T257 VanDerWaalsContact O-N 3.14Å; D255-T257 VanDerWaalsContact C-N 3.31Å; D255-T257 PolarHBondContact O-N 2.87Å; T257-Q261 WeakPolarHBondContact O-CG 3.3Å; T257-Q261 PolarHBondContact O-N 2.91Å; T257-T298 PolarHBondContact OG1-OG1 2.82Å; T257-T300 HydrophobicContact CG2-CG2 4.16Å |
| 258 | V | 91 | Very high | 88.9 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.8 | -43.4 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | L221 Q225 E254 D255 A260 Q261 I262 | L221-V258 HydrophobicContact CB-CB 4.45Å; L221-V258 HydrophobicContact CB-CG1 3.8Å; Q225-V258 HydrophobicContact CB-CG1 4.24Å; E254-V258 WeakPolarHBondContact O-CG2 3.42Å; E254-V258 PolarHBondContact O-N 2.89Å; D255-V258 PolarHBondContact O-N 2.93Å; V258-A260 VanDerWaalsContact C-N 3.34Å; V258-A260 PolarHBondContact O-N 3.39Å; V258-Q261 PolarHBondContact O-N 3.27Å; V258-Q261 VanDerWaalsContact O-N 3.17Å; V258-I262 HydrophobicContact CG1-CD1 3.86Å; V258-I262 HydrophobicContact CG1-CG1 4.46Å; V258-I262 WeakPolarHBondContact O-CG1 3.47Å; V258-I262 PolarHBondContact O-N 3.43Å |
| 259 | A | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L221 T245 D255 Q261 I262 A263 T283 L287 | L221-A259 HydrophobicContact CD1-CB 4.25Å; L221-A259 HydrophobicContact CD2-CB 4.49Å; T245-A259 HydrophobicContact CG2-CB 3.68Å; D255-A259 WeakPolarHBondContact O-CB 3.32Å; D255-A259 PolarHBondContact O-N 3.38Å; A259-Q261 VanDerWaalsContact C-N 3.35Å; A259-I262 PolarHBondContact O-N 3.16Å; A259-A263 WeakPolarHBondContact O-CB 3.48Å; A259-A263 PolarHBondContact O-N 2.87Å; A259-T283 HydrophobicContact CB-CG2 4.37Å; A259-L287 HydrophobicContact CB-CD1 4.02Å; A259-L287 HydrophobicContact CB-CD2 4.04Å |
| 260 | A | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V256 V258 N264 L287 L304 | V256-A260 VanDerWaalsContact O-CB 3.27Å; V256-A260 WeakPolarHBondContact O-CB 3.43Å; V256-A260 PolarHBondContact O-N 2.84Å; V258-A260 VanDerWaalsContact C-N 3.34Å; V258-A260 PolarHBondContact O-N 3.39Å; A260-N264 PolarHBondContact O-N 2.87Å; A260-N264 PolarHBondContact O-ND2 2.9Å; A260-L287 HydrophobicContact CB-CD1 4.27Å; A260-L304 HydrophobicContact CB-CD1 3.64Å; A260-L304 HydrophobicContact CB-CG 4.06Å |
| 261 | Q | 91.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -44 | 176.1 | -70.6 | 172.4 | -0.7 | 0 | 0 | 112 | T257 V258 A259 A263 N264 T265 T300 | T257-Q261 WeakPolarHBondContact O-CG 3.3Å; T257-Q261 PolarHBondContact O-N 2.91Å; V258-Q261 PolarHBondContact O-N 3.27Å; V258-Q261 VanDerWaalsContact O-N 3.17Å; A259-Q261 VanDerWaalsContact C-N 3.35Å; Q261-A263 PolarHBondContact O-N 3.26Å; Q261-N264 PolarHBondContact O-N 2.83Å; Q261-T265 PolarHBondContact O-N 3.02Å; Q261-T265 PolarHBondContact O-OG1 3.04Å; Q261-T300 HydrophobicContact CG-CG2 4.26Å |
| 262 | I | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 173.6 | -72.5 | 163.9 | 0 | 0 | 0 | 110.9 | L221 I224 Q225 L228 A241 V258 A259 T265 L266 | L221-I262 HydrophobicContact CB-CD1 4.19Å; L221-I262 HydrophobicContact CD2-CD1 4.06Å; L221-I262 WeakPolarHBondContact O-CD1 3.45Å; I224-I262 HydrophobicContact CB-CD1 4.07Å; I224-I262 HydrophobicContact CG2-CD1 3.89Å; I224-I262 HydrophobicContact CG2-CG1 4.26Å; I224-I262 HydrophobicContact CG2-CG2 4.17Å; Q225-I262 HydrophobicContact CB-CD1 4.33Å; Q225-I262 HydrophobicContact CB-CG1 4.12Å; L228-I262 HydrophobicContact CD1-CB 4.22Å; L228-I262 HydrophobicContact CD1-CG1 3.97Å; L228-I262 HydrophobicContact CD1-CG2 4.18Å; A241-I262 HydrophobicContact CB-CG2 3.88Å; V258-I262 HydrophobicContact CG1-CD1 3.86Å; V258-I262 HydrophobicContact CG1-CG1 4.46Å; V258-I262 WeakPolarHBondContact O-CG1 3.47Å; V258-I262 PolarHBondContact O-N 3.43Å; A259-I262 PolarHBondContact O-N 3.16Å; I262-T265 PolarHBondContact O-N 3.19Å; I262-L266 HydrophobicContact CG2-CD1 3.77Å; I262-L266 WeakPolarHBondContact O-CG 3.44Å; I262-L266 PolarHBondContact O-N 2.98Å |
| 263 | A | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | A259 Q261 T265 L266 L267 T283 V284 L304 | A259-A263 WeakPolarHBondContact O-CB 3.48Å; A259-A263 PolarHBondContact O-N 2.87Å; Q261-A263 PolarHBondContact O-N 3.26Å; A263-T265 PolarHBondContact O-N 3.32Å; A263-L266 PolarHBondContact O-N 3.12Å; A263-L267 HydrophobicContact CB-CD1 4.49Å; A263-L267 WeakPolarHBondContact O-CB 3.31Å; A263-L267 WeakPolarHBondContact O-CD1 3.47Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 2.99Å; A263-T283 HydrophobicContact CB-CG2 4.47Å; A263-V284 HydrophobicContact CB-CG2 3.61Å; A263-L304 HydrophobicContact CB-CD2 3.97Å |
| 264 | N | 91.3 | Very high | 88 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.2 | -50.1 | 174.6 | -79.4 | -30.1 | 0 | 0 | 0 | 112.3 | A260 Q261 L266 L267 L268 S303 L304 T307 | A260-N264 PolarHBondContact O-N 2.87Å; A260-N264 PolarHBondContact O-ND2 2.9Å; Q261-N264 PolarHBondContact O-N 2.83Å; N264-L266 VanDerWaalsContact C-N 3.33Å; N264-L266 PolarHBondContact O-N 2.81Å; N264-L267 PolarHBondContact O-N 3.03Å; N264-L268 WeakPolarHBondContact O-CB 3.4Å; N264-L268 WeakPolarHBondContact O-CG 3.5Å; N264-L268 PolarHBondContact O-N 3.31Å; N264-S303 PolarHBondContact ND2-OG 3.37Å; N264-S303 PolarHBondContact OD1-O 2.89Å; N264-L304 WeakPolarHBondContact OD1-CA 3.38Å; N264-L304 WeakPolarHBondContact OD1-CD2 3.26Å; N264-T307 WeakPolarHBondContact OD1-CB 3.21Å; N264-T307 PolarHBondContact OD1-OG1 2.96Å |
| 265 | T | 90.4 | Very high | 88 | Confident | 77 Ų | 77 | 39.4 Ų | 39.4 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -38.9 | -179.9 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | L228 Q261 I262 A263 S269 | L228-T265 HydrophobicContact CB-CG2 4.4Å; L228-T265 HydrophobicContact CD1-CG2 4.15Å; Q261-T265 PolarHBondContact O-N 3.02Å; Q261-T265 PolarHBondContact O-OG1 3.04Å; I262-T265 PolarHBondContact O-N 3.19Å; A263-T265 PolarHBondContact O-N 3.32Å; T265-S269 WeakPolarHBondContact O-CB 3.49Å; T265-S269 PolarHBondContact O-N 3.42Å |
| 266 | L | 90.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -38.9 | 178.1 | -69.2 | 171 | 0 | 0 | 0 | 112.8 | L228 L234 A238 I262 A263 N264 A272 V276 A280 | L228-L266 HydrophobicContact CD2-CD2 3.58Å; L228-L266 HydrophobicContact CD2-CG 4.07Å; L234-L266 HydrophobicContact CB-CD2 4.47Å; L234-L266 HydrophobicContact CD2-CD2 4.14Å; A238-L266 HydrophobicContact CB-CD1 3.7Å; A238-L266 HydrophobicContact CB-CD2 4.4Å; I262-L266 HydrophobicContact CG2-CD1 3.77Å; I262-L266 WeakPolarHBondContact O-CG 3.44Å; I262-L266 PolarHBondContact O-N 2.98Å; A263-L266 PolarHBondContact O-N 3.12Å; N264-L266 VanDerWaalsContact C-N 3.33Å; N264-L266 PolarHBondContact O-N 2.81Å; L266-A272 WeakPolarHBondContact O-CB 3.29Å; L266-V276 HydrophobicContact CB-CG1 4.2Å; L266-V276 HydrophobicContact CD2-CG1 3.84Å; L266-A280 HydrophobicContact CB-CB 3.83Å; L266-A280 HydrophobicContact CD1-CB 4.29Å |
| 267 | L | 89.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73 | -30.8 | -179.5 | -65.3 | 167.7 | 0 | 0 | 0 | 112.7 | A263 N264 A280 V281 V284 T307 L308 L311 | A263-L267 HydrophobicContact CB-CD1 4.49Å; A263-L267 WeakPolarHBondContact O-CB 3.31Å; A263-L267 WeakPolarHBondContact O-CD1 3.47Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 2.99Å; N264-L267 PolarHBondContact O-N 3.03Å; L267-A280 HydrophobicContact CD2-CB 3.64Å; L267-A280 HydrophobicContact CG-CB 3.87Å; L267-V281 HydrophobicContact CD2-CG2 3.73Å; L267-V284 HydrophobicContact CD1-CG2 4.23Å; L267-T307 HydrophobicContact CB-CG2 3.84Å; L267-T307 HydrophobicContact CD1-CG2 4.27Å; L267-L308 HydrophobicContact CD1-CD2 4.14Å; L267-L311 HydrophobicContact CB-CD2 4.22Å; L267-L311 HydrophobicContact CD2-CD2 3.53Å; L267-L311 HydrophobicContact CG-CD2 4.34Å |
| 268 | L | 86 | Confident | 88.3 | Confident | 81 Ų | 81 | 36.4 Ų | 36.4 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -87.9 | -9.6 | 177 | -66.3 | 173.6 | 0 | 0 | 0 | 114.1 | N264 P270 T307 | N264-L268 WeakPolarHBondContact O-CB 3.4Å; N264-L268 WeakPolarHBondContact O-CG 3.5Å; N264-L268 PolarHBondContact O-N 3.31Å; L268-P270 WeakPolarHBondContact O-CD 3.35Å; L268-T307 HydrophobicContact CD1-CG2 4.18Å; L268-T307 HydrophobicContact CD2-CG2 3.87Å; L268-T307 HydrophobicContact CG-CG2 3.68Å |
| 269 | S | 86.4 | Confident | 88.4 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | trans | -70 | 121.8 | -177.6 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | T265 N271 A272 | T265-S269 WeakPolarHBondContact O-CB 3.49Å; T265-S269 PolarHBondContact O-N 3.42Å; S269-N271 PolarHBondContact O-N 2.63Å; S269-A272 WeakPolarHBondContact O-CB 3.47Å; S269-A272 PolarHBondContact O-N 2.92Å | ||
| 270 | P | 79.1 | Confident | 88.5 | Confident | 114 Ų | 114 | 35.5 Ų | 35.5 | 74% | 0.74 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.4 | 178.5 | 27.6 | -34.8 | 0 | 0 | 0 | 112.1 | L268 A272 | L268-P270 WeakPolarHBondContact O-CD 3.35Å; P270-A272 VanDerWaalsContact C-N 3.33Å |
| 271 | N | 78.8 | Confident | 88.7 | Confident | 142 Ų | 142 | 35.5 Ų | 35.5 | 76% | 0.759 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.8 | -179.1 | -61.9 | -5.4 | 0 | 0 | 0 | 113 | S269 S273 | S269-N271 PolarHBondContact O-N 2.63Å; N271-S273 PolarHBondContact O-N 3.25Å |
| 272 | A | 82.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | trans | -75.7 | 117.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L266 S269 P270 V276 R277 | L266-A272 WeakPolarHBondContact O-CB 3.29Å; S269-A272 WeakPolarHBondContact O-CB 3.47Å; S269-A272 PolarHBondContact O-N 2.92Å; P270-A272 VanDerWaalsContact C-N 3.33Å; A272-V276 HydrophobicContact CB-CB 4Å; A272-V276 HydrophobicContact CB-CG1 3.67Å; A272-R277 HydrophobicContact CB-CG 4.13Å; A272-R277 PolarHBondContact O-NE 2.81Å; A272-R277 PolarHBondContact O-NH2 3.36Å | ||
| 273 | S | 86.6 | Confident | 89 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | trans | -64.2 | 166.1 | 169.8 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | E235 N271 T275 V276 R277 | E235-S273 PolarHBondContact OE1-OG 3.36Å; N271-S273 PolarHBondContact O-N 3.25Å; S273-T275 VanDerWaalsContact C-N 3.28Å; S273-T275 PolarHBondContact O-N 2.9Å; S273-T275 PolarHBondContact OG-OG1 2.97Å; S273-V276 WeakPolarHBondContact O-CB 3.35Å; S273-V276 PolarHBondContact O-N 3.4Å; S273-V276 VanDerWaalsContact O-N 3.15Å; S273-V276 WeakPolarHBondContact OG-CG2 3.19Å; S273-R277 WeakPolarHBondContact O-CG 3.42Å; S273-R277 PolarHBondContact O-N 2.64Å | ||
| 274 | E | 84.8 | Confident | 89.1 | Confident | 70 Ų | 70 | 32.3 Ų | 32.3 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.5 | -44.8 | 177.3 | -170.3 | -158.8 | 147 | 0 | 0 | 111.7 | R198 V276 R277 V278 | R198-E274 IonicContact NH2-OE1 2.81Å; E274-V276 PolarHBondContact O-N 2.88Å; E274-R277 PolarHBondContact O-N 2.7Å; E274-R277 VanDerWaalsContact O-N 3.13Å; E274-V278 HydrophobicContact CG-CG2 4.25Å; E274-V278 WeakPolarHBondContact O-CB 3.33Å; E274-V278 VanDerWaalsContact O-CG2 3.27Å; E274-V278 WeakPolarHBondContact O-CG2 3.31Å; E274-V278 PolarHBondContact O-N 2.73Å |
| 275 | T | 86 | Confident | 89.3 | Confident | 70 Ų | 70 | 31.8 Ų | 31.8 | 43% | 0.429 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 175.3 | 39.2 | 0 | 0 | 0 | 0 | 112.9 | E235 S273 A279 | E235-T275 PolarHBondContact OE1-OG1 3.12Å; S273-T275 VanDerWaalsContact C-N 3.28Å; S273-T275 PolarHBondContact O-N 2.9Å; S273-T275 PolarHBondContact OG-OG1 2.97Å; T275-A279 WeakPolarHBondContact O-CB 3.42Å; T275-A279 PolarHBondContact O-N 3.12Å |
| 276 | V | 90.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | L234 E235 A238 L266 A272 S273 E274 V278 A279 A280 | L234-V276 HydrophobicContact CB-CG1 4.46Å; L234-V276 HydrophobicContact CB-CG2 3.87Å; E235-V276 HydrophobicContact CB-CG2 4.45Å; E235-V276 HydrophobicContact CG-CG2 3.83Å; A238-V276 HydrophobicContact CB-CG1 4.17Å; L266-V276 HydrophobicContact CB-CG1 4.2Å; L266-V276 HydrophobicContact CD2-CG1 3.84Å; A272-V276 HydrophobicContact CB-CB 4Å; A272-V276 HydrophobicContact CB-CG1 3.67Å; S273-V276 WeakPolarHBondContact O-CB 3.35Å; S273-V276 PolarHBondContact O-N 3.4Å; S273-V276 VanDerWaalsContact O-N 3.15Å; S273-V276 WeakPolarHBondContact OG-CG2 3.19Å; E274-V276 PolarHBondContact O-N 2.88Å; V276-V278 PolarHBondContact O-N 2.59Å; V276-A279 PolarHBondContact O-N 3.1Å; V276-A280 WeakPolarHBondContact O-CB 3.17Å; V276-A280 PolarHBondContact O-N 3.07Å |
| 277 | R | 90 | Very high | 89.6 | Confident | 16 Ų | 16 | 29 Ų | 29 | 6% | 0.06 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | -179 | -63.3 | 179.8 | -165.5 | -165.9 | 3.1 | 111.6 | A272 S273 E274 A280 V281 T318 L324 | A272-R277 HydrophobicContact CB-CG 4.13Å; A272-R277 PolarHBondContact O-NE 2.81Å; A272-R277 PolarHBondContact O-NH2 3.36Å; S273-R277 WeakPolarHBondContact O-CG 3.42Å; S273-R277 PolarHBondContact O-N 2.64Å; E274-R277 PolarHBondContact O-N 2.7Å; E274-R277 VanDerWaalsContact O-N 3.13Å; R277-A280 PolarHBondContact O-N 3.29Å; R277-V281 WeakPolarHBondContact O-CB 3.21Å; R277-V281 WeakPolarHBondContact O-CG2 3.33Å; R277-V281 PolarHBondContact O-N 3.07Å; R277-T318 PolarHBondContact NH1-OG1 2.95Å; R277-L324 HydrophobicContact CB-CD1 4.32Å |
| 278 | V | 91.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | F176 E274 V276 V281 A282 L324 | F176-V278 HydrophobicContact CE2-CG1 3.75Å; F176-V278 HydrophobicContact CZ-CG1 3.96Å; E274-V278 HydrophobicContact CG-CG2 4.25Å; E274-V278 WeakPolarHBondContact O-CB 3.33Å; E274-V278 VanDerWaalsContact O-CG2 3.27Å; E274-V278 WeakPolarHBondContact O-CG2 3.31Å; E274-V278 PolarHBondContact O-N 2.73Å; V276-V278 PolarHBondContact O-N 2.59Å; V278-V281 PolarHBondContact O-N 2.94Å; V278-A282 WeakPolarHBondContact O-CB 3.34Å; V278-A282 PolarHBondContact O-N 3.32Å; V278-L324 HydrophobicContact CG2-CD2 3.71Å |
| 279 | A | 93.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F176 A238 Q242 T275 V276 A282 T283 | F176-A279 HydrophobicContact CZ-CB 4.03Å; A238-A279 HydrophobicContact CB-CB 3.83Å; Q242-A279 HydrophobicContact CG-CB 4.16Å; T275-A279 WeakPolarHBondContact O-CB 3.42Å; T275-A279 PolarHBondContact O-N 3.12Å; V276-A279 PolarHBondContact O-N 3.1Å; A279-A282 WeakPolarHBondContact O-CB 3.12Å; A279-A282 PolarHBondContact O-N 3.24Å; A279-T283 PolarHBondContact O-N 3.26Å; A279-T283 PolarHBondContact O-OG1 2.96Å |
| 280 | A | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L266 L267 V276 R277 A282 T283 V284 | L266-A280 HydrophobicContact CB-CB 3.83Å; L266-A280 HydrophobicContact CD1-CB 4.29Å; L267-A280 HydrophobicContact CD2-CB 3.64Å; L267-A280 HydrophobicContact CG-CB 3.87Å; V276-A280 WeakPolarHBondContact O-CB 3.17Å; V276-A280 PolarHBondContact O-N 3.07Å; R277-A280 PolarHBondContact O-N 3.29Å; A280-A282 VanDerWaalsContact C-N 3.28Å; A280-A282 PolarHBondContact O-N 3.12Å; A280-T283 VanDerWaalsContact O-CB 3.27Å; A280-T283 WeakPolarHBondContact O-CB 3.48Å; A280-T283 PolarHBondContact O-N 3.2Å; A280-T283 VanDerWaalsContact O-N 3.16Å; A280-V284 WeakPolarHBondContact O-CG2 3.24Å; A280-V284 PolarHBondContact O-N 3.44Å |
| 281 | V | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -34.4 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L267 R277 V278 V284 S285 L324 Q326 L329 V331 | L267-V281 HydrophobicContact CD2-CG2 3.73Å; R277-V281 WeakPolarHBondContact O-CB 3.21Å; R277-V281 WeakPolarHBondContact O-CG2 3.33Å; R277-V281 PolarHBondContact O-N 3.07Å; V278-V281 PolarHBondContact O-N 2.94Å; V281-V284 PolarHBondContact O-N 3.21Å; V281-S285 WeakPolarHBondContact O-CB 3.26Å; V281-S285 PolarHBondContact O-N 2.99Å; V281-L324 HydrophobicContact CG2-CD1 3.87Å; V281-Q326 HydrophobicContact CG1-CB 4.39Å; V281-Q326 HydrophobicContact CG1-CG 3.91Å; V281-L329 HydrophobicContact CG1-CD2 3.99Å; V281-L329 HydrophobicContact CG1-CG 4.27Å; V281-V331 HydrophobicContact CG2-CG2 4.44Å |
| 282 | A | 95.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F176 Q242 V278 A279 A280 V284 S285 Q286 Q326 | F176-A282 HydrophobicContact CD2-CB 3.66Å; F176-A282 HydrophobicContact CE2-CB 3.6Å; Q242-A282 HydrophobicContact CB-CB 4.41Å; V278-A282 WeakPolarHBondContact O-CB 3.34Å; V278-A282 PolarHBondContact O-N 3.32Å; A279-A282 WeakPolarHBondContact O-CB 3.12Å; A279-A282 PolarHBondContact O-N 3.24Å; A280-A282 VanDerWaalsContact C-N 3.28Å; A280-A282 PolarHBondContact O-N 3.12Å; A282-V284 VanDerWaalsContact C-N 3.35Å; A282-V284 PolarHBondContact O-N 2.86Å; A282-S285 WeakPolarHBondContact O-CB 3.45Å; A282-S285 PolarHBondContact O-N 2.9Å; A282-Q286 VanDerWaalsContact O-CG 3.29Å; A282-Q286 WeakPolarHBondContact O-CG 3.48Å; A282-Q286 PolarHBondContact O-N 3.48Å; A282-Q326 HydrophobicContact CB-CG 4.19Å; A282-Q326 VanDerWaalsContact CB-OE1 3.28Å |
| 283 | T | 95.4 | Very high | 87 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.3 | -50.6 | 172.5 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | T245 A259 A263 A279 A280 S285 Q286 L287 | T245-T283 HydrophobicContact CG2-CG2 4.4Å; A259-T283 HydrophobicContact CB-CG2 4.37Å; A263-T283 HydrophobicContact CB-CG2 4.47Å; A279-T283 PolarHBondContact O-N 3.26Å; A279-T283 PolarHBondContact O-OG1 2.96Å; A280-T283 VanDerWaalsContact O-CB 3.27Å; A280-T283 WeakPolarHBondContact O-CB 3.48Å; A280-T283 PolarHBondContact O-N 3.2Å; A280-T283 VanDerWaalsContact O-N 3.16Å; T283-S285 PolarHBondContact O-N 3.15Å; T283-Q286 WeakPolarHBondContact O-CB 3.44Å; T283-Q286 PolarHBondContact O-N 2.64Å; T283-Q286 VanDerWaalsContact O-N 3.15Å; T283-L287 WeakPolarHBondContact O-CG 3.39Å; T283-L287 PolarHBondContact O-N 3.16Å; T283-L287 VanDerWaalsContact O-N 3.07Å |
| 284 | V | 95.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | A263 L267 A280 V281 A282 Q286 L287 L288 L304 L308 L329 F413 | A263-V284 HydrophobicContact CB-CG2 3.61Å; L267-V284 HydrophobicContact CD1-CG2 4.23Å; A280-V284 WeakPolarHBondContact O-CG2 3.24Å; A280-V284 PolarHBondContact O-N 3.44Å; V281-V284 PolarHBondContact O-N 3.21Å; A282-V284 VanDerWaalsContact C-N 3.35Å; A282-V284 PolarHBondContact O-N 2.86Å; V284-Q286 PolarHBondContact O-N 3.17Å; V284-L287 PolarHBondContact O-N 2.89Å; V284-L288 PolarHBondContact O-N 3.38Å; V284-L288 VanDerWaalsContact O-N 3.12Å; V284-L304 HydrophobicContact CG1-CD1 4.27Å; V284-L304 HydrophobicContact CG1-CD2 4.43Å; V284-L304 HydrophobicContact CG2-CD2 3.69Å; V284-L308 HydrophobicContact CG1-CD1 4.17Å; V284-L329 HydrophobicContact CB-CD2 3.96Å; V284-L329 HydrophobicContact CG1-CD2 3.76Å; V284-F413 HydrophobicContact CG1-CE2 3.48Å; V284-F413 VanDerWaalsContact CG1-CE2 3.48Å; V284-F413 HydrophobicContact CG1-CZ 3.67Å |
| 285 | S | 95.3 | Very high | 83.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -26.2 | 175 | -175.7 | 0 | 0 | 0 | 0 | 113 | V281 A282 T283 N328 | V281-S285 WeakPolarHBondContact O-CB 3.26Å; V281-S285 PolarHBondContact O-N 2.99Å; A282-S285 WeakPolarHBondContact O-CB 3.45Å; A282-S285 PolarHBondContact O-N 2.9Å; T283-S285 PolarHBondContact O-N 3.15Å; S285-N328 WeakPolarHBondContact O-CB 3.29Å; S285-N328 PolarHBondContact O-ND2 3.18Å; S285-N328 WeakPolarHBondContact OG-CB 3.44Å; S285-N328 PolarHBondContact OG-N 2.9Å |
| 286 | Q | 94.1 | Very high | 81.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -78.3 | -42.2 | 172.3 | -67.1 | 160.7 | -9.7 | 0 | 0 | 111 | Y178 Q242 T245 P248 A282 T283 V284 L288 N289 | Y178-Q286 PolarHBondContact OH-NE2 2.81Å; Q242-Q286 PolarHBondContact O-NE2 2.97Å; Q242-Q286 PolarHBondContact O-OE1 2.77Å; T245-Q286 PolarHBondContact O-OE1 3.09Å; T245-Q286 PolarHBondContact OG1-OE1 3.47Å; P248-Q286 HydrophobicContact CG-CB 4.22Å; P248-Q286 VanDerWaalsContact CG-O 3.22Å; P248-Q286 WeakPolarHBondContact CG-O 3.44Å; A282-Q286 VanDerWaalsContact O-CG 3.29Å; A282-Q286 WeakPolarHBondContact O-CG 3.48Å; A282-Q286 PolarHBondContact O-N 3.48Å; T283-Q286 WeakPolarHBondContact O-CB 3.44Å; T283-Q286 PolarHBondContact O-N 2.64Å; T283-Q286 VanDerWaalsContact O-N 3.15Å; V284-Q286 PolarHBondContact O-N 3.17Å; Q286-L288 VanDerWaalsContact C-N 3.26Å; Q286-L288 PolarHBondContact O-N 2.88Å; Q286-N289 PolarHBondContact O-N 2.88Å |
| 287 | L | 92.3 | Very high | 79.6 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -33.3 | 177.8 | -65.3 | -179.9 | 0 | 0 | 0 | 112.9 | T245 L251 V256 A259 A260 T283 V284 N289 V290 L304 F413 | T245-L287 HydrophobicContact CG2-CD2 4.24Å; L251-L287 HydrophobicContact CD1-CD2 4Å; V256-L287 HydrophobicContact CB-CD2 4.41Å; V256-L287 HydrophobicContact CG1-CD2 4.3Å; V256-L287 HydrophobicContact CG2-CD2 4.15Å; A259-L287 HydrophobicContact CB-CD1 4.02Å; A259-L287 HydrophobicContact CB-CD2 4.04Å; A260-L287 HydrophobicContact CB-CD1 4.27Å; T283-L287 WeakPolarHBondContact O-CG 3.39Å; T283-L287 PolarHBondContact O-N 3.16Å; T283-L287 VanDerWaalsContact O-N 3.07Å; V284-L287 PolarHBondContact O-N 2.89Å; L287-N289 PolarHBondContact O-N 2.96Å; L287-N289 VanDerWaalsContact O-N 3.07Å; L287-V290 HydrophobicContact CD2-CG2 4.43Å; L287-V290 WeakPolarHBondContact O-CG2 3.3Å; L287-V290 PolarHBondContact O-N 2.81Å; L287-L304 HydrophobicContact CD1-CD1 4.35Å; L287-F413 HydrophobicContact CB-CE1 4.28Å; L287-F413 HydrophobicContact CB-CZ 4.2Å |
| 288 | L | 89.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.4 | 171.7 | -77.1 | 172.7 | 0 | 0 | 0 | 114.4 | V284 Q286 N328 L329 Y408 N410 R412 F413 | V284-L288 PolarHBondContact O-N 3.38Å; V284-L288 VanDerWaalsContact O-N 3.12Å; Q286-L288 VanDerWaalsContact C-N 3.26Å; Q286-L288 PolarHBondContact O-N 2.88Å; L288-N328 HydrophobicContact CB-CB 4.13Å; L288-N328 HydrophobicContact CD1-CB 4.07Å; L288-N328 VanDerWaalsContact CD1-O 3.3Å; L288-N328 WeakPolarHBondContact CD1-O 3.31Å; L288-L329 HydrophobicContact CD1-CB 4.09Å; L288-Y408 HydrophobicContact CD1-CD1 4.25Å; L288-Y408 HydrophobicContact CD2-CD1 4.39Å; L288-N410 PolarHBondContact O-ND2 2.97Å; L288-N410 PolarHBondContact O-OD1 2.71Å; L288-R412 HydrophobicContact CD2-CB 4.48Å; L288-F413 HydrophobicContact CD1-CE2 4.35Å; L288-F413 HydrophobicContact CD2-CD1 4.06Å; L288-F413 HydrophobicContact CD2-CD2 3.62Å; L288-F413 HydrophobicContact CD2-CE1 3.9Å; L288-F413 HydrophobicContact CD2-CE2 3.44Å; L288-F413 VanDerWaalsContact CD2-CE2 3.44Å; L288-F413 HydrophobicContact CD2-CG 3.93Å; L288-F413 HydrophobicContact CD2-CZ 3.59Å; L288-F413 HydrophobicContact CG-CD2 4.36Å; L288-F413 HydrophobicContact CG-CE1 4.26Å; L288-F413 HydrophobicContact CG-CE2 3.68Å; L288-F413 HydrophobicContact CG-CZ 3.62Å |
| 289 | N | 89.1 | Confident | 76.5 | Confident | 94 Ų | 94 | 60 Ų | 60 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 16.8 | -177.6 | -159.8 | 47.6 | 0 | 0 | 0 | 113.4 | P248 Q286 L287 | P248-N289 HydrophobicContact CB-CB 4.46Å; P248-N289 WeakPolarHBondContact CB-O 3.5Å; P248-N289 HydrophobicContact CG-CB 4.27Å; Q286-N289 PolarHBondContact O-N 2.88Å; L287-N289 PolarHBondContact O-N 2.96Å; L287-N289 VanDerWaalsContact O-N 3.07Å |
| 290 | V | 85.6 | Confident | 75.1 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | trans | -70.7 | 130.4 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | P248 L251 V256 L287 R412 | P248-V290 HydrophobicContact CB-CB 4.45Å; P248-V290 HydrophobicContact CB-CG2 3.81Å; L251-V290 HydrophobicContact CD1-CG2 4.06Å; V256-V290 HydrophobicContact CG2-CG1 4.14Å; V256-V290 HydrophobicContact CG2-CG2 3.94Å; L287-V290 HydrophobicContact CD2-CG2 4.43Å; L287-V290 WeakPolarHBondContact O-CG2 3.3Å; L287-V290 PolarHBondContact O-N 2.81Å; V290-R412 PolarHBondContact O-NE 2.96Å; V290-R412 VanDerWaalsContact O-NE 3.09Å; V290-R412 PolarHBondContact O-NH2 2.03Å; V290-R412 VanDerWaalsContact O-NH2 3.1Å | ||
| 291 | N | 72.3 | Confident | 74.1 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -59.4 | 156.7 | 179.2 | -85.8 | -20.6 | 0 | 0 | 0 | 112.6 | S293 | N291-S293 PolarHBondContact O-N 2.53Š| ||
| 292 | K | 60.9 | Low | 73.3 | Confident | 161 Ų | 161 | 62.5 Ų | 62.5 | 70% | 0.7 | 32% | 0.318 | S | S | * | . | trans | -64.8 | 105.5 | 174.6 | -67.1 | -178.2 | 177 | -178.2 | 0 | 110.3 | R421 | K292-R421 PolarHBondContact NZ-O 2.64Š| ||
| 293 | S | 49.6 | Very low | 72.7 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | trans | -98.7 | 150 | 148 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | N291 E295 | N291-S293 PolarHBondContact O-N 2.53Å; S293-E295 PolarHBondContact O-N 3.26Å | ||
| 294 | D | 42.3 | Very low | 72.5 | Confident | 148 Ų | 148 | 64.4 Ų | 64.4 | 79% | 0.791 | 33% | 0.332 | S | S | * | . | trans | -70.4 | 122.6 | -156.2 | -60.4 | -72.9 | 0 | 0 | 0 | 115.4 | K296 | D294-K296 PolarHBondContact O-N 3.12Š| ||
| 295 | E | 47.2 | Very low | 72.3 | Confident | 204 Ų | 204 | 64.4 Ų | 64.4 | 95% | 0.953 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 48.3 | 2.2 | 155.4 | -59.5 | -164.7 | 139.1 | 0 | 0 | 120.3 | S293 | S293-E295 PolarHBondContact O-N 3.26Š|
| 296 | K | 48.5 | Very low | 72.1 | Confident | 185 Ų | 185 | 68.5 Ų | 68.5 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | trans | -115.7 | 30.6 | -171.7 | -147.7 | -179.1 | -177.4 | -174.4 | 0 | 114.5 | D294 | D294-K296 PolarHBondContact O-N 3.12Š| ||
| 297 | E | 54.8 | Low | 72 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | trans | -71.9 | 137.9 | 178.7 | -156.8 | 163.2 | -136.1 | 0 | 0 | 111.5 | R412 | E297-R412 VanDerWaalsContact CD-NH1 3.33Å; E297-R412 IonicContact OE1-CZ 2.69Å; E297-R412 IonicContact OE1-NH1 3.71Å; E297-R412 PolarHBondContact OE1-NH1 2.78Å; E297-R412 IonicContact OE1-NH2 3.18Å; E297-R412 PolarHBondContact OE1-NH2 3.49Å; E297-R412 IonicContact OE2-CZ 3.57Å; E297-R412 IonicContact OE2-NH1 3.34Å; E297-R412 PolarHBondContact OE2-NH1 2.93Å; E297-R412 IonicContact OE2-NH2 2.7Å | ||
| 298 | T | 54.7 | Low | 72 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | trans | -91.1 | 151.3 | -157.2 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | T257 T300 S301 | T257-T298 PolarHBondContact OG1-OG1 2.82Å; T298-T300 WeakPolarHBondContact CB-OG1 3.34Å; T298-T300 PolarHBondContact O-N 3.13Å; T298-T300 PolarHBondContact OG1-OG1 2.88Å; T298-S301 PolarHBondContact O-N 2.81Å | ||
| 299 | N | 61.9 | Low | 72 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 59% | 0.594 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -23.1 | 176.4 | -71.5 | -21.2 | 0 | 0 | 0 | 113.6 | S301 Q302 S303 Q472 | N299-S301 PolarHBondContact O-N 2.87Å; N299-Q302 WeakPolarHBondContact O-CB 3.19Å; N299-Q302 PolarHBondContact O-N 2.89Å; N299-S303 PolarHBondContact O-N 3.29Å; N299-Q472 PolarHBondContact OD1-NE2 2.82Å |
| 300 | T | 64.4 | Low | 72 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 17% | 0.172 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -29.7 | 173.6 | 34.1 | 0 | 0 | 0 | 0 | 114 | T257 Q261 T298 Q302 S303 | T257-T300 HydrophobicContact CG2-CG2 4.16Å; Q261-T300 HydrophobicContact CG-CG2 4.26Å; T298-T300 WeakPolarHBondContact CB-OG1 3.34Å; T298-T300 PolarHBondContact O-N 3.13Å; T298-T300 PolarHBondContact OG1-OG1 2.88Å; T300-Q302 PolarHBondContact O-N 3.14Å; T300-S303 PolarHBondContact O-N 3Å; T300-S303 PolarHBondContact O-OG 2.75Å |
| 301 | S | 73 | Confident | 72.2 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.1 | -19.7 | 175.1 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | T298 N299 | T298-S301 PolarHBondContact O-N 2.81Å; N299-S301 PolarHBondContact O-N 2.87Å |
| 302 | Q | 76.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -84.3 | -18 | 172.9 | -59.6 | 175.6 | 0.3 | 0 | 0 | 112.6 | N299 T300 T305 | N299-Q302 WeakPolarHBondContact O-CB 3.19Å; N299-Q302 PolarHBondContact O-N 2.89Å; T300-Q302 PolarHBondContact O-N 3.14Å; Q302-T305 PolarHBondContact O-OG1 3.19Å |
| 303 | S | 84.4 | Confident | 74.3 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -79 | -21.9 | 172.6 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | N264 N299 T300 T307 | N264-S303 PolarHBondContact ND2-OG 3.37Å; N264-S303 PolarHBondContact OD1-O 2.89Å; N299-S303 PolarHBondContact O-N 3.29Å; T300-S303 PolarHBondContact O-N 3Å; T300-S303 PolarHBondContact O-OG 2.75Å; S303-T307 WeakPolarHBondContact O-CB 3.44Å; S303-T307 PolarHBondContact O-N 3.3Å; S303-T307 VanDerWaalsContact O-N 3.08Å; S303-T307 PolarHBondContact O-OG1 3.16Å |
| 304 | L | 90.1 | Very high | 76 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 168.9 | -78.5 | 169.8 | 0 | 0 | 0 | 112.2 | A260 A263 N264 V284 L287 T307 L308 F413 | A260-L304 HydrophobicContact CB-CD1 3.64Å; A260-L304 HydrophobicContact CB-CG 4.06Å; A263-L304 HydrophobicContact CB-CD2 3.97Å; N264-L304 WeakPolarHBondContact OD1-CA 3.38Å; N264-L304 WeakPolarHBondContact OD1-CD2 3.26Å; V284-L304 HydrophobicContact CG1-CD1 4.27Å; V284-L304 HydrophobicContact CG1-CD2 4.43Å; V284-L304 HydrophobicContact CG2-CD2 3.69Å; L287-L304 HydrophobicContact CD1-CD1 4.35Å; L304-T307 PolarHBondContact O-N 2.92Å; L304-L308 WeakPolarHBondContact O-CB 3.26Å; L304-L308 VanDerWaalsContact O-CG 3.29Å; L304-L308 WeakPolarHBondContact O-CG 3.25Å; L304-L308 PolarHBondContact O-N 3.22Å; L304-F413 HydrophobicContact CD1-CE1 4.31Å; L304-F413 HydrophobicContact CD1-CE2 4.27Å; L304-F413 HydrophobicContact CD1-CZ 3.96Å |
| 305 | T | 92 | Very high | 77.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | -175.4 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | Q302 T307 L308 D309 Y408 F413 F414 Y469 | Q302-T305 PolarHBondContact O-OG1 3.19Å; T305-T307 VanDerWaalsContact C-N 3.31Å; T305-T307 PolarHBondContact O-N 2.79Å; T305-L308 PolarHBondContact O-N 2.96Å; T305-D309 PolarHBondContact O-N 2.83Å; T305-Y408 WeakPolarHBondContact CA-OH 3.44Å; T305-Y408 WeakPolarHBondContact CB-OH 3.29Å; T305-Y408 HydrophobicContact CG2-CE1 4.09Å; T305-F413 HydrophobicContact CG2-CB 3.75Å; T305-F413 HydrophobicContact CG2-CD2 3.95Å; T305-F413 HydrophobicContact CG2-CG 4.31Å; T305-F414 HydrophobicContact CG2-CE1 3.93Å; T305-F414 HydrophobicContact CG2-CE2 3.97Å; T305-F414 HydrophobicContact CG2-CZ 3.45Å; T305-F414 VanDerWaalsContact CG2-CZ 3.45Å; T305-Y469 WeakPolarHBondContact CB-OH 3.42Å; T305-Y469 PolarHBondContact OG1-OH 2.95Å |
| 306 | L | 90.7 | Very high | 78.9 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 171.2 | -67.6 | 171.8 | 0 | 0 | 0 | 112.8 | D309 Q310 Y469 | L306-D309 PolarHBondContact O-N 3.31Å; L306-Q310 WeakPolarHBondContact O-CB 3.37Å; L306-Q310 PolarHBondContact O-N 3.4Å; L306-Y469 HydrophobicContact CD1-CD1 4.36Å; L306-Y469 HydrophobicContact CD1-CE1 4.2Å; L306-Y469 HydrophobicContact CD2-CD1 4.34Å; L306-Y469 HydrophobicContact CD2-CD2 4.21Å; L306-Y469 HydrophobicContact CD2-CE1 3.88Å; L306-Y469 HydrophobicContact CD2-CE2 3.71Å; L306-Y469 HydrophobicContact CD2-CG 4.5Å; L306-Y469 HydrophobicContact CG-CD1 4.33Å; L306-Y469 HydrophobicContact CG-CE1 3.73Å; L306-Y469 HydrophobicContact CG-CE2 4.46Å |
| 307 | T | 91.7 | Very high | 79.7 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.7 | -38.7 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 112 | N264 L267 L268 S303 L304 T305 L311 | N264-T307 WeakPolarHBondContact OD1-CB 3.21Å; N264-T307 PolarHBondContact OD1-OG1 2.96Å; L267-T307 HydrophobicContact CB-CG2 3.84Å; L267-T307 HydrophobicContact CD1-CG2 4.27Å; L268-T307 HydrophobicContact CD1-CG2 4.18Å; L268-T307 HydrophobicContact CD2-CG2 3.87Å; L268-T307 HydrophobicContact CG-CG2 3.68Å; S303-T307 WeakPolarHBondContact O-CB 3.44Å; S303-T307 PolarHBondContact O-N 3.3Å; S303-T307 VanDerWaalsContact O-N 3.08Å; S303-T307 PolarHBondContact O-OG1 3.16Å; L304-T307 PolarHBondContact O-N 2.92Å; T305-T307 VanDerWaalsContact C-N 3.31Å; T305-T307 PolarHBondContact O-N 2.79Å; T307-L311 WeakPolarHBondContact O-CB 3.22Å; T307-L311 PolarHBondContact O-N 2.95Å |
| 308 | L | 93.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 174 | -71.9 | 168.4 | 0 | 0 | 0 | 111.8 | L267 V284 L304 T305 L311 S312 L329 V331 V406 Y408 | L267-L308 HydrophobicContact CD1-CD2 4.14Å; V284-L308 HydrophobicContact CG1-CD1 4.17Å; L304-L308 WeakPolarHBondContact O-CB 3.26Å; L304-L308 VanDerWaalsContact O-CG 3.29Å; L304-L308 WeakPolarHBondContact O-CG 3.25Å; L304-L308 PolarHBondContact O-N 3.22Å; T305-L308 PolarHBondContact O-N 2.96Å; L308-L311 PolarHBondContact O-N 2.83Å; L308-S312 VanDerWaalsContact O-CB 3.29Å; L308-S312 WeakPolarHBondContact O-CB 3.41Å; L308-S312 PolarHBondContact O-N 3.45Å; L308-L329 HydrophobicContact CD1-CD1 4.27Å; L308-L329 HydrophobicContact CD1-CD2 3.91Å; L308-L329 HydrophobicContact CD2-CD2 4.16Å; L308-V331 HydrophobicContact CD2-CG2 3.87Å; L308-V406 HydrophobicContact CB-CG1 4.33Å; L308-V406 HydrophobicContact CB-CG2 4.26Å; L308-V406 HydrophobicContact CD1-CG1 4.43Å; L308-Y408 HydrophobicContact CD1-CE1 3.63Å |
| 309 | D | 89.8 | Confident | 79.9 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 173.8 | -68.8 | -30.7 | 0 | 0 | 0 | 110.3 | T305 L306 L311 S312 V313 S430 N498 | T305-D309 PolarHBondContact O-N 2.83Å; L306-D309 PolarHBondContact O-N 3.31Å; D309-L311 PolarHBondContact O-N 2.96Å; D309-S312 PolarHBondContact O-N 2.95Å; D309-S312 PolarHBondContact O-OG 2.88Å; D309-V313 PolarHBondContact O-N 3.42Å; D309-S430 VanDerWaalsContact OD1-CB 3.29Å; D309-S430 WeakPolarHBondContact OD1-CB 3.44Å; D309-S430 PolarHBondContact OD1-OG 2.74Å; D309-N498 PolarHBondContact OD2-ND2 2.94Å |
| 310 | Q | 89.3 | Confident | 79.7 | Confident | 106 Ų | 106 | 40.5 Ų | 40.5 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.8 | -177.7 | 175.2 | -10.5 | 0 | 0 | 112.8 | L306 N314 | L306-Q310 WeakPolarHBondContact O-CB 3.37Å; L306-Q310 PolarHBondContact O-N 3.4Å; Q310-N314 WeakPolarHBondContact O-CB 3.48Å; Q310-N314 PolarHBondContact O-N 2.89Å; Q310-N314 PolarHBondContact O-ND2 2.94Å |
| 311 | L | 89.4 | Confident | 79.4 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 175.8 | 177.3 | 63.5 | 0 | 0 | 0 | 112.1 | L267 T307 L308 D309 V313 N314 L315 | L267-L311 HydrophobicContact CB-CD2 4.22Å; L267-L311 HydrophobicContact CD2-CD2 3.53Å; L267-L311 HydrophobicContact CG-CD2 4.34Å; T307-L311 WeakPolarHBondContact O-CB 3.22Å; T307-L311 PolarHBondContact O-N 2.95Å; L308-L311 PolarHBondContact O-N 2.83Å; D309-L311 PolarHBondContact O-N 2.96Å; L311-V313 PolarHBondContact O-N 2.77Å; L311-N314 PolarHBondContact O-N 2.96Å; L311-N314 VanDerWaalsContact O-N 3.1Å; L311-L315 HydrophobicContact CD1-CD1 4.4Å; L311-L315 HydrophobicContact CD1-CD2 4.35Å; L311-L315 HydrophobicContact CD1-CG 3.89Å; L311-L315 HydrophobicContact CG-CD1 4.02Å; L311-L315 HydrophobicContact CG-CG 4.06Å; L311-L315 WeakPolarHBondContact O-CG 3.03Å; L311-L315 PolarHBondContact O-N 3.05Å |
| 312 | S | 90.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -29.4 | -177.6 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | L308 D309 S333 G404 | L308-S312 VanDerWaalsContact O-CB 3.29Å; L308-S312 WeakPolarHBondContact O-CB 3.41Å; L308-S312 PolarHBondContact O-N 3.45Å; D309-S312 PolarHBondContact O-N 2.95Å; D309-S312 PolarHBondContact O-OG 2.88Å; S312-S333 WeakPolarHBondContact O-CB 3.38Å; S312-G404 VanDerWaalsContact O-CA 3.31Å; S312-G404 WeakPolarHBondContact O-CA 3.5Å; S312-G404 VanDerWaalsContact OG-CA 3.24Å; S312-G404 WeakPolarHBondContact OG-CA 3.49Å |
| 313 | V | 86.9 | Confident | 80.1 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -81 | -45.1 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | D309 L311 L315 S402 | D309-V313 PolarHBondContact O-N 3.42Å; L311-V313 PolarHBondContact O-N 2.77Å; V313-L315 PolarHBondContact O-N 2.87Å; V313-S402 PolarHBondContact O-OG 3.47Å |
| 314 | N | 84.1 | Confident | 80.4 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -75 | -17.6 | -172.5 | -72.2 | -17.4 | 0 | 0 | 0 | 114.8 | Q310 L311 L317 T318 | Q310-N314 WeakPolarHBondContact O-CB 3.48Å; Q310-N314 PolarHBondContact O-N 2.89Å; Q310-N314 PolarHBondContact O-ND2 2.94Å; L311-N314 PolarHBondContact O-N 2.96Å; L311-N314 VanDerWaalsContact O-N 3.1Å; N314-L317 PolarHBondContact O-N 3.48Å; N314-T318 PolarHBondContact O-N 2.8Å; N314-T318 PolarHBondContact O-OG1 2.81Å |
| 315 | L | 80.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.3 | -52.7 | 174.2 | -88.2 | 162 | 0 | 0 | 0 | 111.7 | L311 V313 L317 T318 N319 L324 V331 S333 | L311-L315 HydrophobicContact CD1-CD1 4.4Å; L311-L315 HydrophobicContact CD1-CD2 4.35Å; L311-L315 HydrophobicContact CD1-CG 3.89Å; L311-L315 HydrophobicContact CG-CD1 4.02Å; L311-L315 HydrophobicContact CG-CG 4.06Å; L311-L315 WeakPolarHBondContact O-CG 3.03Å; L311-L315 PolarHBondContact O-N 3.05Å; V313-L315 PolarHBondContact O-N 2.87Å; L315-L317 PolarHBondContact O-N 3.04Å; L315-L317 VanDerWaalsContact O-N 3.12Å; L315-T318 PolarHBondContact O-N 3.49Å; L315-T318 PolarHBondContact O-OG1 2.84Å; L315-N319 PolarHBondContact O-N 2.98Å; L315-L324 HydrophobicContact CD1-CD1 4.01Å; L315-L324 HydrophobicContact CD1-CG 4.3Å; L315-L324 HydrophobicContact CD2-CD1 4.07Å; L315-L324 HydrophobicContact CD2-CG 4.39Å; L315-V331 HydrophobicContact CD1-CB 4.4Å; L315-V331 HydrophobicContact CD1-CG1 3.6Å; L315-S333 WeakPolarHBondContact CB-OG 3.37Å |
| 316 | S | 70.1 | Confident | 80.7 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -10.4 | 178.8 | -97.8 | 0 | 0 | 0 | 0 | 114.5 | S333 A334 Q335 | S316-S333 VanDerWaalsContact CB-OG 3.29Å; S316-S333 WeakPolarHBondContact CB-OG 3.37Å; S316-S333 PolarHBondContact N-OG 3.03Å; S316-S333 VanDerWaalsContact N-OG 3.11Å; S316-S333 WeakPolarHBondContact OG-CB 3.25Å; S316-S333 PolarHBondContact OG-OG 2.68Å; S316-A334 WeakPolarHBondContact OG-CA 3.5Å; S316-A334 PolarHBondContact OG-N 3.09Å; S316-Q335 PolarHBondContact O-NE2 2.83Å |
| 317 | L | 64.6 | Low | 80.8 | Confident | 107 Ų | 107 | 42 Ų | 42 | 56% | 0.56 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -96.3 | -12.9 | 174.8 | -60.9 | 177.7 | 0 | 0 | 0 | 113 | N314 L315 | N314-L317 PolarHBondContact O-N 3.48Å; L315-L317 PolarHBondContact O-N 3.04Å; L315-L317 VanDerWaalsContact O-N 3.12Å |
| 318 | T | 58.8 | Low | 80.9 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -120.4 | -23.9 | -170 | 47.3 | 0 | 0 | 0 | 0 | 116 | R277 N314 L315 | R277-T318 PolarHBondContact NH1-OG1 2.95Å; N314-T318 PolarHBondContact O-N 2.8Å; N314-T318 PolarHBondContact O-OG1 2.81Å; L315-T318 PolarHBondContact O-N 3.49Å; L315-T318 PolarHBondContact O-OG1 2.84Å |
| 319 | N | 55.5 | Low | 81 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | trans | -150.2 | 160.7 | 179.6 | -83.1 | -49.9 | 0 | 0 | 0 | 113.2 | L315 T321 | L315-N319 PolarHBondContact O-N 2.98Å; N319-T321 PolarHBondContact O-N 2.96Å; N319-T321 VanDerWaalsContact O-N 3.09Å | ||
| 320 | N | 57.1 | Low | 81.2 | Confident | 169 Ų | 169 | 42.1 Ų | 42.1 | 90% | 0.904 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -70.7 | 6.5 | 174 | -75 | -10.7 | 0 | 0 | 0 | 114.5 | P322 | N320-P322 VanDerWaalsContact O-CD 3.25Å; N320-P322 WeakPolarHBondContact O-CD 3.49Å |
| 321 | T | 60.1 | Low | 81.5 | Confident | 40 Ų | 40 | 37 Ų | 37 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | trans | -112.9 | 88 | -173.4 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | N319 Q323 | N319-T321 PolarHBondContact O-N 2.96Å; N319-T321 VanDerWaalsContact O-N 3.09Å; T321-Q323 VanDerWaalsContact C-N 3.26Å; T321-Q323 PolarHBondContact O-N 2.97Å | ||
| 322 | P | 73.8 | Confident | 81.6 | Confident | 59 Ų | 59 | 37.4 Ų | 37.4 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | trans | -78.2 | -0.2 | -170 | 31.5 | -37.7 | 0 | 0 | 0 | 114.7 | N320 Q332 S333 | N320-P322 VanDerWaalsContact O-CD 3.25Å; N320-P322 WeakPolarHBondContact O-CD 3.49Å; P322-Q332 CarbonylContact O-C 3.59Å; P322-Q332 VanDerWaalsContact O-CA 3.31Å; P322-Q332 WeakPolarHBondContact O-CA 3.3Å; P322-Q332 WeakPolarHBondContact O-CG 3.23Å; P322-S333 WeakPolarHBondContact CB-O 3.02Å; P322-S333 PolarHBondContact O-N 3.4Å; P322-S333 PolarHBondContact O-OG 3.22Å | ||
| 323 | Q | 88.8 | Confident | 81.6 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.3 | -169.6 | -168.6 | -170.7 | 71.3 | 0 | 0 | 112 | T321 V325 Q332 | T321-Q323 VanDerWaalsContact C-N 3.26Å; T321-Q323 PolarHBondContact O-N 2.97Å; Q323-V325 HydrophobicContact CG-CG2 3.72Å; Q323-Q332 HydrophobicContact CB-CG 4.21Å; Q323-Q332 HydrophobicContact CG-CB 4.28Å; Q323-Q332 HydrophobicContact CG-CG 4.18Å |
| 324 | L | 91.3 | Very high | 81.6 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.5 | 171.1 | -54.8 | 178 | 0 | 0 | 0 | 108.5 | R277 V278 V281 L315 V331 | R277-L324 HydrophobicContact CB-CD1 4.32Å; V278-L324 HydrophobicContact CG2-CD2 3.71Å; V281-L324 HydrophobicContact CG2-CD1 3.87Å; L315-L324 HydrophobicContact CD1-CD1 4.01Å; L315-L324 HydrophobicContact CD1-CG 4.3Å; L315-L324 HydrophobicContact CD2-CD1 4.07Å; L315-L324 HydrophobicContact CD2-CG 4.39Å; L324-V331 HydrophobicContact CB-CB 4.36Å; L324-V331 PolarHBondContact N-O 2.96Å; L324-V331 PolarHBondContact O-N 3.1Å |
| 325 | V | 93 | Very high | 81.7 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.8 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | Q323 V330 F356 A358 I361 | Q323-V325 HydrophobicContact CG-CG2 3.72Å; V325-V330 HydrophobicContact CG1-CG2 4.38Å; V325-V330 HydrophobicContact CG2-CG1 4.29Å; V325-F356 HydrophobicContact CG1-CB 4.04Å; V325-A358 HydrophobicContact CB-CB 4.21Å; V325-A358 HydrophobicContact CG2-CB 3.88Å; V325-I361 HydrophobicContact CG2-CG1 4.48Å |
| 326 | Q | 94.9 | Very high | 81.8 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.8 | 173.8 | -69.2 | -63.4 | -65.2 | 0 | 0 | 109.3 | G174 V281 A282 N328 L329 | G174-Q326 PolarHBondContact O-NE2 2.91Å; V281-Q326 HydrophobicContact CG1-CB 4.39Å; V281-Q326 HydrophobicContact CG1-CG 3.91Å; A282-Q326 HydrophobicContact CB-CG 4.19Å; A282-Q326 VanDerWaalsContact CB-OE1 3.28Å; Q326-N328 PolarHBondContact O-N 3.06Å; Q326-L329 PolarHBondContact N-O 3.26Å; Q326-L329 PolarHBondContact O-N 3.07Å; Q326-L329 VanDerWaalsContact O-N 3.1Å |
| 327 | P | 92.8 | Very high | 82.1 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -33 | -166.1 | -29.1 | 32.8 | 0 | 0 | 0 | 116.3 | W175 S355 F356 | W175-P327 HydrophobicContact CD2-CG 3.73Å; W175-P327 HydrophobicContact CE3-CG 3.97Å; W175-P327 HydrophobicContact CG-CG 4.23Å; W175-P327 HydrophobicContact CH2-CB 4.27Å; W175-P327 HydrophobicContact CH2-CG 4.19Å; W175-P327 HydrophobicContact CZ2-CB 4.07Å; W175-P327 HydrophobicContact CZ2-CG 3.96Å; W175-P327 HydrophobicContact CZ3-CG 4.18Å; P327-S355 WeakPolarHBondContact O-CA 3.41Å; P327-F356 PolarHBondContact O-N 2.9Å |
| 328 | N | 93.9 | Very high | 82.1 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -0.8 | -177.6 | -58.4 | -49.4 | 0 | 0 | 0 | 113.9 | S285 L288 Q326 Q409 | S285-N328 WeakPolarHBondContact O-CB 3.29Å; S285-N328 PolarHBondContact O-ND2 3.18Å; S285-N328 WeakPolarHBondContact OG-CB 3.44Å; S285-N328 PolarHBondContact OG-N 2.9Å; L288-N328 HydrophobicContact CB-CB 4.13Å; L288-N328 HydrophobicContact CD1-CB 4.07Å; L288-N328 VanDerWaalsContact CD1-O 3.3Å; L288-N328 WeakPolarHBondContact CD1-O 3.31Å; Q326-N328 PolarHBondContact O-N 3.06Å; N328-Q409 HydrophobicContact CB-CB 3.98Å; N328-Q409 VanDerWaalsContact O-CB 3.27Å; N328-Q409 WeakPolarHBondContact O-CB 3.47Å; N328-Q409 PolarHBondContact O-N 2.81Å |
| 329 | L | 95.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.9 | -172.3 | -176.9 | 57.8 | 0 | 0 | 0 | 112.1 | V281 V284 L288 L308 Q326 V331 V406 L407 Y408 | V281-L329 HydrophobicContact CG1-CD2 3.99Å; V281-L329 HydrophobicContact CG1-CG 4.27Å; V284-L329 HydrophobicContact CB-CD2 3.96Å; V284-L329 HydrophobicContact CG1-CD2 3.76Å; L288-L329 HydrophobicContact CD1-CB 4.09Å; L308-L329 HydrophobicContact CD1-CD1 4.27Å; L308-L329 HydrophobicContact CD1-CD2 3.91Å; L308-L329 HydrophobicContact CD2-CD2 4.16Å; Q326-L329 PolarHBondContact N-O 3.26Å; Q326-L329 PolarHBondContact O-N 3.07Å; Q326-L329 VanDerWaalsContact O-N 3.1Å; L329-V331 HydrophobicContact CG-CG2 4.46Å; L329-V406 HydrophobicContact CD1-CG1 3.62Å; L329-L407 WeakPolarHBondContact CA-O 3.47Å; L329-Y408 HydrophobicContact CD1-CD1 3.73Å; L329-Y408 HydrophobicContact CD1-CE1 3.93Å; L329-Y408 HydrophobicContact CD1-CG 4.3Å |
| 330 | V | 95.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.3 | 168.7 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | V325 F346 F356 I361 V406 L407 | V325-V330 HydrophobicContact CG1-CG2 4.38Å; V325-V330 HydrophobicContact CG2-CG1 4.29Å; V330-F346 HydrophobicContact CG1-CE2 4.24Å; V330-F346 HydrophobicContact CG1-CZ 4.06Å; V330-F356 HydrophobicContact CG2-CB 3.85Å; V330-F356 HydrophobicContact CG2-CD1 4.41Å; V330-F356 HydrophobicContact CG2-CD2 3.55Å; V330-F356 HydrophobicContact CG2-CE2 4.14Å; V330-F356 HydrophobicContact CG2-CG 3.7Å; V330-I361 HydrophobicContact CG1-CG1 4.25Å; V330-I361 HydrophobicContact CG1-CG2 4.05Å; V330-I361 HydrophobicContact CG2-CD1 3.9Å; V330-I361 HydrophobicContact CG2-CG1 4.18Å; V330-V406 CarbonylContact O-C 3.54Å; V330-V406 VanDerWaalsContact O-CA 3.3Å; V330-V406 WeakPolarHBondContact O-CA 3.42Å; V330-V406 WeakPolarHBondContact O-CG1 3.15Å; V330-L407 HydrophobicContact CB-CB 4.07Å; V330-L407 HydrophobicContact CG2-CB 4.25Å; V330-L407 HydrophobicContact CG2-CD2 4.46Å; V330-L407 PolarHBondContact N-O 2.89Å; V330-L407 PolarHBondContact O-N 3.13Å |
| 331 | V | 94.5 | Very high | 84 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.1 | 164.5 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | V281 L308 L315 L324 L329 F405 V406 | V281-V331 HydrophobicContact CG2-CG2 4.44Å; L308-V331 HydrophobicContact CD2-CG2 3.87Å; L315-V331 HydrophobicContact CD1-CB 4.4Å; L315-V331 HydrophobicContact CD1-CG1 3.6Å; L324-V331 HydrophobicContact CB-CB 4.36Å; L324-V331 PolarHBondContact N-O 2.96Å; L324-V331 PolarHBondContact O-N 3.1Å; L329-V331 HydrophobicContact CG-CG2 4.46Å; V331-F405 WeakPolarHBondContact CA-O 3.27Å; V331-V406 HydrophobicContact CG1-CG2 4.45Å; V331-V406 HydrophobicContact CG2-CG1 4.36Å |
| 332 | Q | 91.9 | Very high | 85 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.9 | 178.9 | -175.4 | 159.8 | 1.1 | 0 | 0 | 111.8 | P322 Q323 F346 L363 F405 | P322-Q332 CarbonylContact O-C 3.59Å; P322-Q332 VanDerWaalsContact O-CA 3.31Å; P322-Q332 WeakPolarHBondContact O-CA 3.3Å; P322-Q332 WeakPolarHBondContact O-CG 3.23Å; Q323-Q332 HydrophobicContact CB-CG 4.21Å; Q323-Q332 HydrophobicContact CG-CB 4.28Å; Q323-Q332 HydrophobicContact CG-CG 4.18Å; Q332-F346 HydrophobicContact CB-CD2 4.46Å; Q332-F346 HydrophobicContact CB-CE2 4.06Å; Q332-L363 HydrophobicContact CG-CD2 4.06Å; Q332-F405 PolarHBondContact N-O 2.86Å; Q332-F405 PolarHBondContact O-N 2.87Å |
| 333 | S | 90.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157.2 | -176.2 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | S312 L315 S316 P322 L403 | S312-S333 WeakPolarHBondContact O-CB 3.38Å; L315-S333 WeakPolarHBondContact CB-OG 3.37Å; S316-S333 VanDerWaalsContact CB-OG 3.29Å; S316-S333 WeakPolarHBondContact CB-OG 3.37Å; S316-S333 PolarHBondContact N-OG 3.03Å; S316-S333 VanDerWaalsContact N-OG 3.11Å; S316-S333 WeakPolarHBondContact OG-CB 3.25Å; S316-S333 PolarHBondContact OG-OG 2.68Å; P322-S333 WeakPolarHBondContact CB-O 3.02Å; P322-S333 PolarHBondContact O-N 3.4Å; P322-S333 PolarHBondContact O-OG 3.22Å; S333-L403 CarbonylContact C-O 3.52Å; S333-L403 VanDerWaalsContact CA-O 3.26Å; S333-L403 WeakPolarHBondContact CA-O 3.44Å |
| 334 | A | 87.1 | Confident | 85.6 | Confident | 7 Ų | 7 | 28 Ų | 28 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S316 L363 T365 S402 L403 | S316-A334 WeakPolarHBondContact OG-CA 3.5Å; S316-A334 PolarHBondContact OG-N 3.09Å; A334-L363 HydrophobicContact CB-CD2 3.96Å; A334-T365 HydrophobicContact CB-CG2 4.12Å; A334-S402 CarbonylContact O-C 3.57Å; A334-S402 VanDerWaalsContact O-CA 3.22Å; A334-S402 WeakPolarHBondContact O-CA 3.21Å; A334-S402 PolarHBondContact O-OG 2.94Å; A334-L403 HydrophobicContact CB-CB 4.39Å; A334-L403 PolarHBondContact N-O 2.84Å; A334-L403 PolarHBondContact O-N 3.32Å |
| 335 | Q | 85 | Confident | 85.7 | Confident | 86 Ų | 86 | 27.9 Ų | 27.9 | 40% | 0.402 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.9 | 151.8 | -62.5 | -165 | 22.1 | 0 | 0 | 108.5 | S316 N400 V401 | S316-Q335 PolarHBondContact O-NE2 2.83Å; Q335-N400 PolarHBondContact OE1-ND2 2.94Å; Q335-V401 WeakPolarHBondContact CA-O 3.24Å |
| 336 | I | 82.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.8 | 173.9 | 54.3 | 156 | 0 | 0 | 0 | 112 | A338 T341 V344 T365 F386 N400 V401 L403 | I336-A338 PolarHBondContact O-N 2.87Å; I336-T341 HydrophobicContact CB-CG2 4.43Å; I336-T341 HydrophobicContact CD1-CG2 3.85Å; I336-T341 HydrophobicContact CG2-CG2 4.42Å; I336-V344 HydrophobicContact CD1-CG2 4.09Å; I336-V344 HydrophobicContact CG2-CG2 3.97Å; I336-T365 HydrophobicContact CG2-CG2 4.17Å; I336-F386 HydrophobicContact CD1-CD2 4.24Å; I336-F386 HydrophobicContact CD1-CE1 4.41Å; I336-F386 HydrophobicContact CD1-CE2 3.69Å; I336-F386 HydrophobicContact CD1-CZ 3.8Å; I336-N400 WeakPolarHBondContact O-CA 3.36Å; I336-V401 HydrophobicContact CG1-CB 4.39Å; I336-V401 PolarHBondContact N-O 2.94Å; I336-V401 PolarHBondContact O-N 2.86Å; I336-L403 HydrophobicContact CD1-CD1 3.71Å; I336-L403 HydrophobicContact CD1-CG 4.21Å; I336-L403 HydrophobicContact CG1-CD1 4.03Å; I336-L403 HydrophobicContact CG1-CG 4.18Å |
| 337 | P | 77.5 | Confident | 85.7 | Confident | 60 Ų | 60 | 27 Ų | 27 | 39% | 0.39 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 116.4 | 165.7 | 30.4 | -31.6 | 0 | 0 | 0 | 108.9 | S339 D340 T341 | P337-S339 VanDerWaalsContact C-N 3.27Å; P337-S339 PolarHBondContact O-N 2.96Å; P337-D340 HydrophobicContact CG-CB 4.29Å; P337-D340 PolarHBondContact O-N 2.89Å; P337-T341 WeakPolarHBondContact O-CB 3.31Å; P337-T341 PolarHBondContact O-N 2.94Å; P337-T341 PolarHBondContact O-OG1 2.89Å |
| 338 | A | 64.9 | Low | 85.8 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.7 | I336 V401 | I336-A338 PolarHBondContact O-N 2.87Å; A338-V401 HydrophobicContact CB-CB 4.45Å; A338-V401 HydrophobicContact CB-CG2 3.8Å |
| 339 | S | 65.6 | Low | 85.6 | Confident | 80 Ų | 80 | 25.3 Ų | 25.3 | 56% | 0.559 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -31 | 177.3 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | P337 | P337-S339 VanDerWaalsContact C-N 3.27Å; P337-S339 PolarHBondContact O-N 2.96Å |
| 340 | D | 69.7 | Low | 85 | Confident | 114 Ų | 114 | 26.2 Ų | 26.2 | 61% | 0.61 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -6.3 | -164.2 | -66.5 | 28.6 | 0 | 0 | 0 | 112.6 | P337 N366 | P337-D340 HydrophobicContact CG-CB 4.29Å; P337-D340 PolarHBondContact O-N 2.89Å; D340-N366 PolarHBondContact O-ND2 2.87Å |
| 341 | T | 75.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | trans | -96.4 | 114.7 | -173.7 | -58.8 | 0 | 0 | 0 | 0 | 111 | I336 P337 V344 T365 F386 | I336-T341 HydrophobicContact CB-CG2 4.43Å; I336-T341 HydrophobicContact CD1-CG2 3.85Å; I336-T341 HydrophobicContact CG2-CG2 4.42Å; P337-T341 WeakPolarHBondContact O-CB 3.31Å; P337-T341 PolarHBondContact O-N 2.94Å; P337-T341 PolarHBondContact O-OG1 2.89Å; T341-V344 HydrophobicContact CG2-CG2 3.75Å; T341-T365 VanDerWaalsContact CG2-O 3.26Å; T341-T365 WeakPolarHBondContact CG2-O 3.48Å; T341-F386 HydrophobicContact CG2-CD2 4.25Å | ||
| 342 | Q | 79.7 | Confident | 83.3 | Confident | 111 Ų | 111 | 31.6 Ų | 31.6 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | trans | -73.8 | -35.8 | 178.4 | -60.7 | -175.9 | 10.6 | 0 | 0 | 112.2 | N366 F386 | Q342-N366 PolarHBondContact N-OD1 3.03Å; Q342-F386 PolarHBondContact O-N 2.92Å | ||
| 343 | G | 86.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | 160.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N366 V367 I384 | G343-N366 CarbonylContact O-C 3.53Å; G343-N366 WeakPolarHBondContact O-CA 3.38Å; G343-V367 CarbonylContact C-O 3.58Å; G343-V367 WeakPolarHBondContact CA-O 3.48Å; G343-V367 PolarHBondContact N-O 2.89Å; G343-V367 VanDerWaalsContact N-O 3.15Å; G343-V367 PolarHBondContact O-N 2.87Å; G343-I384 CarbonylContact C-O 3.58Å; G343-I384 WeakPolarHBondContact CA-O 3.28Å |
| 344 | V | 90.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.2 | -176.9 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | I336 T341 L363 N364 Y383 I384 F386 L403 F405 | I336-V344 HydrophobicContact CD1-CG2 4.09Å; I336-V344 HydrophobicContact CG2-CG2 3.97Å; T341-V344 HydrophobicContact CG2-CG2 3.75Å; V344-L363 HydrophobicContact CG1-CD1 3.84Å; V344-N364 WeakPolarHBondContact CA-O 3.32Å; V344-Y383 CarbonylContact O-C 3.5Å; V344-Y383 WeakPolarHBondContact O-CA 3.5Å; V344-I384 PolarHBondContact N-O 3.24Å; V344-I384 PolarHBondContact O-N 3.41Å; V344-F386 HydrophobicContact CG2-CE2 4.04Å; V344-L403 HydrophobicContact CB-CD1 3.83Å; V344-L403 HydrophobicContact CG1-CD1 3.91Å; V344-L403 HydrophobicContact CG2-CD1 3.61Å; V344-F405 HydrophobicContact CG1-CE2 4.18Å; V344-F405 HydrophobicContact CG1-CZ 3.89Å |
| 345 | Q | 93.3 | Very high | 82.5 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121 | -179.9 | -164.7 | -175.9 | -71.8 | 0 | 0 | 111.4 | T347 L363 N364 V367 T371 L381 V382 Y383 | Q345-T347 PolarHBondContact NE2-OG1 2.97Å; Q345-L363 CarbonylContact O-C 3.52Å; Q345-L363 WeakPolarHBondContact O-CA 3.2Å; Q345-N364 PolarHBondContact N-O 2.86Å; Q345-N364 PolarHBondContact O-N 3.25Å; Q345-V367 HydrophobicContact CB-CG2 4.37Å; Q345-T371 PolarHBondContact NE2-O 2.84Å; Q345-T371 PolarHBondContact OE1-O 2.8Å; Q345-L381 HydrophobicContact CG-CD1 4.23Å; Q345-L381 HydrophobicContact CG-CD2 4.24Å; Q345-L381 HydrophobicContact CG-CG 4.1Å; Q345-V382 WeakPolarHBondContact CA-O 3.31Å; Q345-Y383 HydrophobicContact CB-CD2 4.11Å |
| 346 | F | 94.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.9 | 164.5 | 172 | -87.5 | 0 | 0 | 0 | 109.2 | V330 Q332 I361 L363 L381 V382 F405 L407 L429 | V330-F346 HydrophobicContact CG1-CE2 4.24Å; V330-F346 HydrophobicContact CG1-CZ 4.06Å; Q332-F346 HydrophobicContact CB-CD2 4.46Å; Q332-F346 HydrophobicContact CB-CE2 4.06Å; F346-I361 HydrophobicContact CD2-CG2 4.31Å; F346-I361 HydrophobicContact CE2-CG2 3.43Å; F346-I361 VanDerWaalsContact CE2-CG2 3.43Å; F346-I361 HydrophobicContact CZ-CG2 3.75Å; F346-L363 HydrophobicContact CB-CD1 4.19Å; F346-L381 WeakPolarHBondContact O-CA 3.3Å; F346-V382 HydrophobicContact CB-CG1 3.88Å; F346-V382 HydrophobicContact CD1-CG1 4.16Å; F346-V382 HydrophobicContact CG-CG1 4.45Å; F346-V382 PolarHBondContact N-O 3.4Å; F346-V382 PolarHBondContact O-N 3.17Å; F346-F405 HydrophobicContact CB-CB 4.47Å; F346-F405 HydrophobicContact CB-CD1 3.66Å; F346-F405 HydrophobicContact CB-CD2 4.29Å; F346-F405 HydrophobicContact CB-CE1 3.87Å; F346-F405 HydrophobicContact CB-CE2 4.48Å; F346-F405 HydrophobicContact CB-CG 3.88Å; F346-F405 HydrophobicContact CB-CZ 4.28Å; F346-F405 HydrophobicContact CD2-CB 3.84Å; F346-F405 HydrophobicContact CD2-CD2 4.4Å; F346-F405 HydrophobicContact CD2-CG 4.04Å; F346-F405 HydrophobicContact CE2-CB 4.18Å; F346-F405 HydrophobicContact CG-CB 4.05Å; F346-F405 HydrophobicContact CG-CD1 4.1Å; F346-F405 HydrophobicContact CG-CG 4.01Å; F346-L407 HydrophobicContact CE1-CB 4.15Å; F346-L407 HydrophobicContact CE1-CD2 4.33Å; F346-L407 HydrophobicContact CZ-CB 4.22Å; F346-L429 HydrophobicContact CD1-CD1 3.98Å; F346-L429 HydrophobicContact CE1-CD1 3.91Å |
| 347 | T | 93.4 | Very high | 83.3 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 123.6 | -175.4 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | Q345 L349 R362 A378 L381 | Q345-T347 PolarHBondContact NE2-OG1 2.97Å; T347-L349 HydrophobicContact CG2-CD2 3.99Å; T347-R362 PolarHBondContact N-O 2.83Å; T347-R362 PolarHBondContact O-N 2.04Å; T347-A378 HydrophobicContact CG2-CB 4.18Å; T347-L381 HydrophobicContact CG2-CD1 4.13Å; T347-L381 WeakPolarHBondContact OG1-CD1 3.45Å |
| 348 | A | 93.6 | Very high | 83.8 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I361 D379 A380 L407 | A348-I361 HydrophobicContact CB-CD1 3.74Å; A348-D379 WeakPolarHBondContact O-CB 3.49Å; A348-D379 PolarHBondContact O-N 3.45Å; A348-A380 HydrophobicContact CB-CB 4.5Å; A348-A380 PolarHBondContact N-O 2.83Å; A348-A380 PolarHBondContact O-N 3.42Å; A348-L407 HydrophobicContact CB-CD2 3.49Å; A348-L407 VanDerWaalsContact CB-CD2 3.49Å |
| 349 | L | 89.6 | Confident | 84.9 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 147.4 | 178.2 | -61.1 | 175 | 0 | 0 | 0 | 111.4 | T347 R360 R362 F376 I377 | T347-L349 HydrophobicContact CG2-CD2 3.99Å; L349-R360 HydrophobicContact CB-CB 4.11Å; L349-R360 WeakPolarHBondContact CB-O 3.49Å; L349-R360 PolarHBondContact N-O 3.13Å; L349-R360 WeakPolarHBondContact O-CD 3.05Å; L349-R362 HydrophobicContact CD1-CG 4.4Å; L349-F376 HydrophobicContact CD1-CD1 3.86Å; L349-F376 HydrophobicContact CD1-CE1 4.31Å; L349-F376 HydrophobicContact CD2-CB 4.13Å; L349-F376 HydrophobicContact CD2-CD1 4.48Å; L349-I377 WeakPolarHBondContact CA-O 3.34Å |
| 350 | A | 82.4 | Confident | 86 | Confident | 19 Ų | 19 | 32 Ų | 32 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 146.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R360 I377 D379 | A350-R360 WeakPolarHBondContact O-CD 3.39Å; A350-I377 HydrophobicContact CB-CB 3.95Å; A350-I377 HydrophobicContact CB-CG2 3.79Å; A350-I377 PolarHBondContact N-O 3.29Å; A350-D379 HydrophobicContact CB-CB 4.13Å; A350-D379 WeakPolarHBondContact CB-OD1 3.37Å |
| 351 | G | 79 | Confident | 87.1 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | trans | -128.8 | 167.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S353 | G351-S353 VanDerWaalsContact C-N 3.29Š| ||
| 352 | P | 76.6 | Confident | 87.8 | Confident | 89 Ų | 89 | 30.3 Ų | 30.3 | 58% | 0.578 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -78 | -17.3 | 170.6 | 32.2 | -31.6 | 0 | 0 | 0 | 112.3 | C143 | C143-P352 WeakPolarHBondContact O-CD 3.39Š|
| 353 | S | 82.1 | Confident | 88.3 | Confident | 38 Ų | 38 | 26.8 Ų | 26.8 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -93.2 | 168.2 | 167 | 76.2 | 0 | 0 | 0 | 0 | 110.7 | D145 G351 S355 | D145-S353 PolarHBondContact OD1-OG 2.86Å; D145-S353 VanDerWaalsContact OD2-CB 3.28Å; D145-S353 WeakPolarHBondContact OD2-CB 3.31Å; D145-S353 PolarHBondContact OD2-OG 2.86Å; G351-S353 VanDerWaalsContact C-N 3.29Å; S353-S355 PolarHBondContact OG-N 2.93Å; S353-S355 PolarHBondContact OG-OG 2.8Å; S353-S355 VanDerWaalsContact OG-OG 3.09Å |
| 354 | S | 80.2 | Confident | 88.4 | Confident | 79 Ų | 79 | 29.9 Ų | 29.9 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -85.4 | -7.8 | 169.8 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | Q409 | S354-Q409 PolarHBondContact O-NE2 3.35Å; S354-Q409 PolarHBondContact O-OE1 2.87Å |
| 355 | S | 89.5 | Confident | 88.3 | Confident | 25 Ų | 25 | 33 Ų | 33 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -92.9 | 149.2 | -169.1 | 40.1 | 0 | 0 | 0 | 0 | 114.3 | D145 P327 S353 | D145-S355 PolarHBondContact OD2-OG 2.87Å; P327-S355 WeakPolarHBondContact O-CA 3.41Å; S353-S355 PolarHBondContact OG-N 2.93Å; S353-S355 PolarHBondContact OG-OG 2.8Å; S353-S355 VanDerWaalsContact OG-OG 3.09Å |
| 356 | F | 92.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.044 | 22% | 0.224 | C | C | . | . | trans | -82.7 | 137.8 | 179.3 | -54.9 | -46.1 | 0 | 0 | 0 | 113.4 | W175 V325 P327 V330 L407 Q409 | W175-F356 WeakPolarHBondContact CZ2-O 3.3Å; W175-F356 PolarHBondContact NE1-O 3.39Å; V325-F356 HydrophobicContact CG1-CB 4.04Å; P327-F356 PolarHBondContact O-N 2.9Å; V330-F356 HydrophobicContact CG2-CB 3.85Å; V330-F356 HydrophobicContact CG2-CD1 4.41Å; V330-F356 HydrophobicContact CG2-CD2 3.55Å; V330-F356 HydrophobicContact CG2-CE2 4.14Å; V330-F356 HydrophobicContact CG2-CG 3.7Å; F356-L407 HydrophobicContact CD1-CD2 4.27Å; F356-L407 HydrophobicContact CE1-CD2 3.56Å; F356-L407 HydrophobicContact CE1-CG 4.15Å; F356-L407 HydrophobicContact CE2-CD2 4.2Å; F356-L407 HydrophobicContact CE2-CG 4.01Å; F356-L407 WeakPolarHBondContact CE2-O 3.41Å; F356-L407 HydrophobicContact CZ-CD1 4.48Å; F356-L407 HydrophobicContact CZ-CD2 3.52Å; F356-L407 HydrophobicContact CZ-CG 3.56Å; F356-Q409 HydrophobicContact CD2-CB 4.44Å; F356-Q409 HydrophobicContact CE2-CB 3.63Å; F356-Q409 HydrophobicContact CZ-CB 3.8Å; F356-Q409 VanDerWaalsContact CZ-OE1 3.27Å | ||
| 357 | V | 91.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | trans | -136.2 | 136.5 | -179.5 | -168.2 | 0 | 0 | 0 | 0 | 108.2 | D145 N156 I172 W175 N359 R360 | D145-V357 HydrophobicContact CB-CG2 3.99Å; N156-V357 WeakPolarHBondContact ND2-CG1 3.46Å; I172-V357 HydrophobicContact CG2-CG1 3.76Å; W175-V357 HydrophobicContact CZ2-CG2 4.16Å; V357-N359 VanDerWaalsContact C-N 3.3Å; V357-N359 WeakPolarHBondContact CB-OD1 3.43Å; V357-N359 WeakPolarHBondContact CG1-OD1 3.38Å; V357-N359 PolarHBondContact O-N 2.81Å; V357-R360 PolarHBondContact O-N 2.79Å | ||
| 358 | A | 89.1 | Confident | 87 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -59.8 | -35.7 | -167 | 0 | 0 | 0 | 0 | 0 | 114.1 | V325 R360 I361 | V325-A358 HydrophobicContact CB-CB 4.21Å; V325-A358 HydrophobicContact CG2-CB 3.88Å; A358-R360 PolarHBondContact O-N 2.7Å; A358-I361 PolarHBondContact O-N 3.23Å; A358-I361 VanDerWaalsContact O-N 3.1Å |
| 359 | N | 87.4 | Confident | 86.5 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62.4 | -18.9 | 176.1 | 67 | -21.8 | 0 | 0 | 0 | 114.7 | T148 V357 | T148-N359 VanDerWaalsContact CB-ND2 3.33Å; T148-N359 WeakPolarHBondContact CB-ND2 3.1Å; T148-N359 PolarHBondContact OG1-ND2 2.91Å; V357-N359 VanDerWaalsContact C-N 3.3Å; V357-N359 WeakPolarHBondContact CB-OD1 3.43Å; V357-N359 WeakPolarHBondContact CG1-OD1 3.38Å; V357-N359 PolarHBondContact O-N 2.81Å |
| 360 | R | 89.1 | Confident | 86.2 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -94 | -3.5 | 176.3 | -63.5 | -158.9 | -166.3 | 107 | 6.3 | 113.8 | C143 D145 L349 A350 V357 A358 | C143-R360 PolarHBondContact O-NH2 3.45Å; D145-R360 IonicContact OD1-CZ 3.54Å; D145-R360 IonicContact OD1-NH1 3.63Å; D145-R360 PolarHBondContact OD1-NH1 2.9Å; D145-R360 IonicContact OD1-NH2 3.27Å; D145-R360 PolarHBondContact OD1-NH2 3.47Å; L349-R360 HydrophobicContact CB-CB 4.11Å; L349-R360 WeakPolarHBondContact CB-O 3.49Å; L349-R360 PolarHBondContact N-O 3.13Å; L349-R360 WeakPolarHBondContact O-CD 3.05Å; A350-R360 WeakPolarHBondContact O-CD 3.39Å; V357-R360 PolarHBondContact O-N 2.79Å; A358-R360 PolarHBondContact O-N 2.7Å |
| 361 | I | 91.9 | Very high | 86.1 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.9 | 179.4 | -50.1 | -55 | 0 | 0 | 0 | 109.3 | V325 V330 F346 A348 A358 | V325-I361 HydrophobicContact CG2-CG1 4.48Å; V330-I361 HydrophobicContact CG1-CG1 4.25Å; V330-I361 HydrophobicContact CG1-CG2 4.05Å; V330-I361 HydrophobicContact CG2-CD1 3.9Å; V330-I361 HydrophobicContact CG2-CG1 4.18Å; F346-I361 HydrophobicContact CD2-CG2 4.31Å; F346-I361 HydrophobicContact CE2-CG2 3.43Å; F346-I361 VanDerWaalsContact CE2-CG2 3.43Å; F346-I361 HydrophobicContact CZ-CG2 3.75Å; A348-I361 HydrophobicContact CB-CD1 3.74Å; A358-I361 PolarHBondContact O-N 3.23Å; A358-I361 VanDerWaalsContact O-N 3.1Å |
| 362 | R | 91 | Very high | 86 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147.1 | 177.4 | -65 | -172.2 | -179.6 | 164.4 | 7.5 | 111.2 | T347 L349 D373 | T347-R362 PolarHBondContact N-O 2.83Å; T347-R362 PolarHBondContact O-N 2.04Å; L349-R362 HydrophobicContact CD1-CG 4.4Å; R362-D373 IonicContact CZ-OD2 3.03Å; R362-D373 IonicContact NH1-OD2 2.68Å; R362-D373 PolarHBondContact NH1-OD2 3.15Å |
| 363 | L | 90.7 | Very high | 85.8 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 115.1 | 174.8 | 177.3 | 68.6 | 0 | 0 | 0 | 109.1 | Q332 A334 V344 Q345 F346 T365 F405 | Q332-L363 HydrophobicContact CG-CD2 4.06Å; A334-L363 HydrophobicContact CB-CD2 3.96Å; V344-L363 HydrophobicContact CG1-CD1 3.84Å; Q345-L363 CarbonylContact O-C 3.52Å; Q345-L363 WeakPolarHBondContact O-CA 3.2Å; F346-L363 HydrophobicContact CB-CD1 4.19Å; L363-T365 HydrophobicContact CG-CG2 4.34Å; L363-F405 HydrophobicContact CD1-CD2 4.11Å; L363-F405 HydrophobicContact CD1-CE2 3.68Å; L363-F405 HydrophobicContact CD1-CZ 4.3Å |
| 364 | N | 89 | Confident | 84.9 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.3 | 178 | -65 | -6.7 | 0 | 0 | 0 | 108.7 | V344 Q345 V367 | V344-N364 WeakPolarHBondContact CA-O 3.32Å; Q345-N364 PolarHBondContact N-O 2.86Å; Q345-N364 PolarHBondContact O-N 3.25Å; N364-V367 HydrophobicContact CB-CG2 3.48Å; N364-V367 VanDerWaalsContact CB-CG2 3.48Å |
| 365 | T | 86.6 | Confident | 84 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -92.4 | -2 | -169.4 | 48.3 | 0 | 0 | 0 | 0 | 115.7 | A334 I336 T341 L363 | A334-T365 HydrophobicContact CB-CG2 4.12Å; I336-T365 HydrophobicContact CG2-CG2 4.17Å; T341-T365 VanDerWaalsContact CG2-O 3.26Å; T341-T365 WeakPolarHBondContact CG2-O 3.48Å; L363-T365 HydrophobicContact CG-CG2 4.34Å |
| 366 | N | 84.6 | Confident | 83.2 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -148 | 97 | 170 | -160.8 | -7.1 | 0 | 0 | 0 | 110.3 | D340 Q342 G343 | D340-N366 PolarHBondContact O-ND2 2.87Å; Q342-N366 PolarHBondContact N-OD1 3.03Å; G343-N366 CarbonylContact O-C 3.53Å; G343-N366 WeakPolarHBondContact O-CA 3.38Å |
| 367 | V | 86.4 | Confident | 82.6 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | trans | -136.1 | 142.8 | 179.3 | -157.7 | 0 | 0 | 0 | 0 | 108.9 | G343 Q345 N364 K369 T371 Y383 | G343-V367 CarbonylContact C-O 3.58Å; G343-V367 WeakPolarHBondContact CA-O 3.48Å; G343-V367 PolarHBondContact N-O 2.89Å; G343-V367 VanDerWaalsContact N-O 3.15Å; G343-V367 PolarHBondContact O-N 2.87Å; Q345-V367 HydrophobicContact CB-CG2 4.37Å; N364-V367 HydrophobicContact CB-CG2 3.48Å; N364-V367 VanDerWaalsContact CB-CG2 3.48Å; V367-K369 WeakPolarHBondContact CG1-O 3.48Å; V367-T371 HydrophobicContact CG1-CG2 4.25Å; V367-Y383 HydrophobicContact CB-CE2 4.33Å; V367-Y383 WeakPolarHBondContact O-CE2 3.21Å; V367-Y383 PolarHBondContact O-OH 3.43Å; V367-Y383 VanDerWaalsContact O-OH 3.13Å | ||
| 368 | S | 83.3 | Confident | 82.3 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -87.4 | -14.8 | -176 | 59.2 | 0 | 0 | 0 | 0 | 115 | Y383 | S368-Y383 PolarHBondContact O-OH 3.19Š|
| 369 | K | 83.9 | Confident | 82.3 | Confident | 127 Ų | 127 | 56.8 Ų | 56.8 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -162.6 | 167.8 | -177.7 | 62.5 | 178.8 | -177 | 177.2 | 0 | 109.7 | V367 T371 Y383 | V367-K369 WeakPolarHBondContact CG1-O 3.48Å; K369-T371 HydrophobicContact CG-CG2 4.07Å; K369-T371 PolarHBondContact O-N 3.25Å; K369-Y383 PolarHBondContact N-OH 2.99Å |
| 370 | V | 83.4 | Confident | 82.5 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | trans | -57.9 | 123.9 | 167.7 | 178 | 0 | 0 | 0 | 0 | 110.5 | L381 Y383 E446 | V370-L381 HydrophobicContact CG1-CD1 3.96Å; V370-L381 HydrophobicContact CG1-CD2 3.81Å; V370-L381 HydrophobicContact CG2-CD2 4.14Å; V370-Y383 HydrophobicContact CG2-CD1 4.03Å; V370-Y383 HydrophobicContact CG2-CG 3.86Å; V370-E446 HydrophobicContact CG2-CB 4.14Å; V370-E446 VanDerWaalsContact CG2-OE2 3.31Å; V370-E446 WeakPolarHBondContact CG2-OE2 3.39Å | ||
| 371 | T | 80.5 | Confident | 82.8 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | trans | -132.2 | 121 | 173.9 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | Q345 V367 K369 | Q345-T371 PolarHBondContact NE2-O 2.84Å; Q345-T371 PolarHBondContact OE1-O 2.8Å; V367-T371 HydrophobicContact CG1-CG2 4.25Å; K369-T371 HydrophobicContact CG-CG2 4.07Å; K369-T371 PolarHBondContact O-N 3.25Å | ||
| 372 | V | 76.6 | Confident | 82.9 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | trans | -105 | 128.5 | 164.1 | -175.7 | 0 | 0 | 0 | 0 | 106.9 | F376 A378 L381 | V372-F376 HydrophobicContact CG1-CB 4.44Å; V372-F376 VanDerWaalsContact CG1-O 3.29Å; V372-F376 WeakPolarHBondContact CG1-O 3.36Å; V372-A378 HydrophobicContact CG1-CB 4.27Å; V372-A378 HydrophobicContact CG2-CB 3.9Å; V372-L381 HydrophobicContact CG2-CD1 3.8Å | ||
| 373 | D | 72.4 | Confident | 83 | Confident | 73 Ų | 73 | 49 Ų | 49 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | trans | -61.5 | 139.5 | -177.9 | -60.1 | -50.3 | 0 | 0 | 0 | 111.1 | R362 G375 F376 | R362-D373 IonicContact CZ-OD2 3.03Å; R362-D373 IonicContact NH1-OD2 2.68Å; R362-D373 PolarHBondContact NH1-OD2 3.15Å; D373-G375 PolarHBondContact O-N 2.85Å; D373-F376 HydrophobicContact CB-CB 4.39Å; D373-F376 HydrophobicContact CB-CD2 3.59Å; D373-F376 HydrophobicContact CB-CE2 4.3Å; D373-F376 HydrophobicContact CB-CG 4.34Å; D373-F376 WeakPolarHBondContact O-CB 3.05Å; D373-F376 PolarHBondContact O-N 3.25Å | ||
| 374 | N | 62.4 | Low | 83.1 | Confident | 163 Ų | 163 | 47.2 Ų | 47.2 | 87% | 0.872 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 123.2 | -175.2 | -75.8 | -19.6 | 0 | 0 | 0 | 112 | F376 | N374-F376 VanDerWaalsContact C-N 3.3Å; N374-F376 PolarHBondContact O-N 3.12Å |
| 375 | G | 61.3 | Low | 83 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -6.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D373 | D373-G375 PolarHBondContact O-N 2.85Š|
| 376 | F | 73.8 | Confident | 82.8 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | trans | -85.3 | 144.6 | 164.8 | -72.7 | -86.3 | 0 | 0 | 0 | 110.6 | V140 L349 V372 D373 N374 | V140-F376 HydrophobicContact CG1-CD1 4.43Å; V140-F376 HydrophobicContact CG1-CE1 3.9Å; V140-F376 HydrophobicContact CG1-CE2 4.09Å; V140-F376 HydrophobicContact CG1-CZ 3.72Å; V140-F376 HydrophobicContact CG2-CD2 4.12Å; V140-F376 HydrophobicContact CG2-CE2 4.01Å; V140-F376 HydrophobicContact CG2-CZ 4.48Å; L349-F376 HydrophobicContact CD1-CD1 3.86Å; L349-F376 HydrophobicContact CD1-CE1 4.31Å; L349-F376 HydrophobicContact CD2-CB 4.13Å; L349-F376 HydrophobicContact CD2-CD1 4.48Å; V372-F376 HydrophobicContact CG1-CB 4.44Å; V372-F376 VanDerWaalsContact CG1-O 3.29Å; V372-F376 WeakPolarHBondContact CG1-O 3.36Å; D373-F376 HydrophobicContact CB-CB 4.39Å; D373-F376 HydrophobicContact CB-CD2 3.59Å; D373-F376 HydrophobicContact CB-CE2 4.3Å; D373-F376 HydrophobicContact CB-CG 4.34Å; D373-F376 WeakPolarHBondContact O-CB 3.05Å; D373-F376 PolarHBondContact O-N 3.25Å; N374-F376 VanDerWaalsContact C-N 3.3Å; N374-F376 PolarHBondContact O-N 3.12Å | ||
| 377 | I | 78.8 | Confident | 82.4 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | trans | -109.3 | 119.1 | 179.5 | -59.9 | 176.5 | 0 | 0 | 0 | 108.3 | N138 L349 A350 R450 | N138-I377 HydrophobicContact CB-CD1 4.29Å; L349-I377 WeakPolarHBondContact CA-O 3.34Å; A350-I377 HydrophobicContact CB-CB 3.95Å; A350-I377 HydrophobicContact CB-CG2 3.79Å; A350-I377 PolarHBondContact N-O 3.29Å; I377-R450 VanDerWaalsContact CG2-NE 3.34Å | ||
| 378 | A | 86.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T347 V372 L381 R450 | T347-A378 HydrophobicContact CG2-CB 4.18Å; V372-A378 HydrophobicContact CG1-CB 4.27Å; V372-A378 HydrophobicContact CG2-CB 3.9Å; A378-L381 HydrophobicContact CB-CD1 4.41Å; A378-R450 PolarHBondContact O-NE 3.15Å; A378-R450 VanDerWaalsContact O-NE 3.1Å |
| 379 | D | 88.1 | Confident | 80 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -36.6 | -176.9 | -131.5 | 35.1 | 0 | 0 | 0 | 111 | A348 A350 R427 R450 | A348-D379 WeakPolarHBondContact O-CB 3.49Å; A348-D379 PolarHBondContact O-N 3.45Å; A350-D379 HydrophobicContact CB-CB 4.13Å; A350-D379 WeakPolarHBondContact CB-OD1 3.37Å; D379-R427 PolarHBondContact O-NH1 2.81Å; D379-R427 IonicContact OD1-NH1 3.31Å; D379-R427 IonicContact OD2-CZ 3.65Å; D379-R427 IonicContact OD2-NH1 3.42Å; D379-R427 PolarHBondContact OD2-NH1 3.09Å; D379-R427 IonicContact OD2-NH2 2.64Å; D379-R427 PolarHBondContact OD2-NH2 3.35Å; D379-R450 PolarHBondContact O-N 2.87Å; D379-R450 WeakPolarHBondContact OD1-CD 3.33Å |
| 380 | A | 92.8 | Very high | 78.3 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 139.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A348 L407 L429 Q448 | A348-A380 HydrophobicContact CB-CB 4.5Å; A348-A380 PolarHBondContact N-O 2.83Å; A348-A380 PolarHBondContact O-N 3.42Å; A380-L407 HydrophobicContact CB-CD1 3.81Å; A380-L407 HydrophobicContact CB-CD2 4.26Å; A380-L429 HydrophobicContact CB-CD2 4.46Å; A380-Q448 WeakPolarHBondContact CA-O 3.49Å |
| 381 | L | 94.2 | Very high | 76.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.6 | -178.5 | 179.8 | 155 | 0 | 0 | 0 | 110.2 | Q345 F346 T347 V370 V372 A378 M447 Q448 | Q345-L381 HydrophobicContact CG-CD1 4.23Å; Q345-L381 HydrophobicContact CG-CD2 4.24Å; Q345-L381 HydrophobicContact CG-CG 4.1Å; F346-L381 WeakPolarHBondContact O-CA 3.3Å; T347-L381 HydrophobicContact CG2-CD1 4.13Å; T347-L381 WeakPolarHBondContact OG1-CD1 3.45Å; V370-L381 HydrophobicContact CG1-CD1 3.96Å; V370-L381 HydrophobicContact CG1-CD2 3.81Å; V370-L381 HydrophobicContact CG2-CD2 4.14Å; V372-L381 HydrophobicContact CG2-CD1 3.8Å; A378-L381 HydrophobicContact CB-CD1 4.41Å; L381-M447 CarbonylContact O-C 3.49Å; L381-M447 VanDerWaalsContact O-CA 3.24Å; L381-M447 WeakPolarHBondContact O-CA 3.29Å; L381-M447 WeakPolarHBondContact O-CB 3.46Å; L381-Q448 HydrophobicContact CB-CB 4.28Å; L381-Q448 HydrophobicContact CD2-CG 4.46Å; L381-Q448 PolarHBondContact N-O 2.04Å; L381-Q448 PolarHBondContact O-N 3.24Å |
| 382 | V | 94.8 | Very high | 75.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.9 | 165.2 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | Q345 F346 I384 F405 L429 A431 V445 E446 M447 | Q345-V382 WeakPolarHBondContact CA-O 3.31Å; F346-V382 HydrophobicContact CB-CG1 3.88Å; F346-V382 HydrophobicContact CD1-CG1 4.16Å; F346-V382 HydrophobicContact CG-CG1 4.45Å; F346-V382 PolarHBondContact N-O 3.4Å; F346-V382 PolarHBondContact O-N 3.17Å; V382-I384 HydrophobicContact CG2-CG1 4.44Å; V382-F405 HydrophobicContact CG1-CD1 3.7Å; V382-F405 HydrophobicContact CG1-CE1 3.79Å; V382-L429 HydrophobicContact CB-CD2 3.69Å; V382-L429 HydrophobicContact CB-CG 4.13Å; V382-L429 HydrophobicContact CG1-CD1 4.01Å; V382-L429 HydrophobicContact CG1-CD2 3.79Å; V382-L429 HydrophobicContact CG1-CG 3.94Å; V382-A431 HydrophobicContact CG2-CB 4.44Å; V382-V445 HydrophobicContact CG2-CG1 3.45Å; V382-V445 VanDerWaalsContact CG2-CG1 3.45Å; V382-E446 CarbonylContact C-O 3.56Å; V382-E446 WeakPolarHBondContact CA-O 3.09Å; V382-M447 HydrophobicContact CB-CG 4.18Å; V382-M447 HydrophobicContact CG2-CG 3.94Å |
| 383 | Y | 94.1 | Very high | 73.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123 | 175.6 | 170.8 | -101 | 0 | 0 | 0 | 109.2 | V344 Q345 V367 S368 K369 V370 R385 V445 E446 | V344-Y383 CarbonylContact O-C 3.5Å; V344-Y383 WeakPolarHBondContact O-CA 3.5Å; Q345-Y383 HydrophobicContact CB-CD2 4.11Å; V367-Y383 HydrophobicContact CB-CE2 4.33Å; V367-Y383 WeakPolarHBondContact O-CE2 3.21Å; V367-Y383 PolarHBondContact O-OH 3.43Å; V367-Y383 VanDerWaalsContact O-OH 3.13Å; S368-Y383 PolarHBondContact O-OH 3.19Å; K369-Y383 PolarHBondContact N-OH 2.99Å; V370-Y383 HydrophobicContact CG2-CD1 4.03Å; V370-Y383 HydrophobicContact CG2-CG 3.86Å; Y383-R385 HydrophobicContact CE1-CB 3.94Å; Y383-V445 CarbonylContact O-C 3.42Å; Y383-V445 WeakPolarHBondContact O-CA 3.31Å; Y383-E446 HydrophobicContact CD1-CB 4.33Å; Y383-E446 PolarHBondContact N-O 3.39Å; Y383-E446 PolarHBondContact O-N 2.86Å |
| 384 | I | 91.1 | Very high | 72.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.7 | 177.7 | -53.2 | 178.3 | 0 | 0 | 0 | 108 | G343 V344 V382 F386 F405 A431 A442 V445 | G343-I384 CarbonylContact C-O 3.58Å; G343-I384 WeakPolarHBondContact CA-O 3.28Å; V344-I384 PolarHBondContact N-O 3.24Å; V344-I384 PolarHBondContact O-N 3.41Å; V382-I384 HydrophobicContact CG2-CG1 4.44Å; I384-F386 HydrophobicContact CB-CE2 4.18Å; I384-F386 HydrophobicContact CB-CZ 4.31Å; I384-F386 HydrophobicContact CG2-CD2 4.49Å; I384-F386 HydrophobicContact CG2-CE1 4.14Å; I384-F386 HydrophobicContact CG2-CE2 3.77Å; I384-F386 HydrophobicContact CG2-CZ 3.55Å; I384-F405 HydrophobicContact CD1-CE1 3.77Å; I384-F405 HydrophobicContact CD1-CZ 3.9Å; I384-F405 HydrophobicContact CG1-CE1 4.35Å; I384-A431 HydrophobicContact CD1-CB 4.06Å; I384-A442 HydrophobicContact CG2-CB 3.62Å; I384-V445 HydrophobicContact CG1-CG2 4.44Å; I384-V445 HydrophobicContact CG2-CG2 4.44Å |
| 385 | R | 88.3 | Confident | 72.3 | Confident | 63 Ų | 63 | 63 Ų | 63 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 135.8 | 172.1 | -173.6 | 177.6 | -72 | 103.5 | 0.5 | 110.3 | Y383 E443 T444 E446 | Y383-R385 HydrophobicContact CE1-CB 3.94Å; R385-E443 VanDerWaalsContact CD-OE2 3.3Å; R385-E443 WeakPolarHBondContact CD-OE2 3.32Å; R385-E443 PolarHBondContact O-N 2.91Å; R385-T444 WeakPolarHBondContact CB-OG1 3.02Å; R385-T444 PolarHBondContact N-O 3.02Å; R385-T444 PolarHBondContact NH1-OG1 3.26Å; R385-E446 IonicContact CZ-OE1 3.54Å; R385-E446 IonicContact NH1-OE1 2.73Å; R385-E446 PolarHBondContact NH1-OE1 3Å; R385-E446 IonicContact NH2-OE1 3.65Å; R385-E446 PolarHBondContact NH2-OE1 3.04Å |
| 386 | F | 81.4 | Confident | 72 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -106.3 | 142 | 174.9 | -65.4 | -82.5 | 0 | 0 | 0 | 110.7 | I336 T341 Q342 V344 I384 S388 L403 I433 V440 | I336-F386 HydrophobicContact CD1-CD2 4.24Å; I336-F386 HydrophobicContact CD1-CE1 4.41Å; I336-F386 HydrophobicContact CD1-CE2 3.69Å; I336-F386 HydrophobicContact CD1-CZ 3.8Å; T341-F386 HydrophobicContact CG2-CD2 4.25Å; Q342-F386 PolarHBondContact O-N 2.92Å; V344-F386 HydrophobicContact CG2-CE2 4.04Å; I384-F386 HydrophobicContact CB-CE2 4.18Å; I384-F386 HydrophobicContact CB-CZ 4.31Å; I384-F386 HydrophobicContact CG2-CD2 4.49Å; I384-F386 HydrophobicContact CG2-CE1 4.14Å; I384-F386 HydrophobicContact CG2-CE2 3.77Å; I384-F386 HydrophobicContact CG2-CZ 3.55Å; F386-S388 PolarHBondContact O-N 3.21Å; F386-L403 HydrophobicContact CE2-CD1 4.2Å; F386-L403 HydrophobicContact CZ-CD1 3.94Å; F386-L403 HydrophobicContact CZ-CD2 3.85Å; F386-I433 HydrophobicContact CE1-CD1 4.14Å; F386-V440 HydrophobicContact CD1-CG1 4.43Å; F386-V440 HydrophobicContact CE1-CG1 4.46Å | ||
| 387 | P | 76.1 | Confident | 70.9 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | trans | -71 | 119 | -174.7 | 28.1 | -34.4 | 0 | 0 | 0 | 111.5 | E443 | P387-E443 HydrophobicContact CB-CB 4.39Š| ||
| 388 | S | 63.8 | Low | 69.7 | Low | 115 Ų | 115 | 69.9 Ų | 69.9 | 80% | 0.804 | 37% | 0.371 | S | S | * | . | trans | -99.2 | 132.2 | -176.8 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | F386 | F386-S388 PolarHBondContact O-N 3.21Š| ||
| 389 | G | 56.6 | Low | 68.6 | Low | 44 Ų | 44 | 70.9 Ų | 70.9 | 45% | 0.454 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 131.7 | -169.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G391 A392 | G389-G391 PolarHBondContact O-N 2.99Å; G389-A392 VanDerWaalsContact O-CB 3.3Å; G389-A392 WeakPolarHBondContact O-CB 3.06Å; G389-A392 PolarHBondContact O-N 3.2Å |
| 390 | R | 46.9 | Very low | 68 | Low | 218 Ų | 218 | 74 Ų | 74 | 82% | 0.823 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -1.7 | -168.9 | -150.7 | 178 | -78.6 | -177.8 | -2.7 | 116.3 | E393 | R390-E393 VanDerWaalsContact CG-OE2 3.27Å; R390-E393 WeakPolarHBondContact CG-OE2 3.42Å |
| 391 | G | 50.4 | Low | 67.4 | Low | 58 Ų | 58 | 74.1 Ų | 74.1 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -27.1 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | G389 | G389-G391 PolarHBondContact O-N 2.99Š|
| 392 | A | 49.9 | Very low | 67 | Low | 23 Ų | 23 | 74.3 Ų | 74.3 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -70.8 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G389 R394 R395 Q396 | G389-A392 VanDerWaalsContact O-CB 3.3Å; G389-A392 WeakPolarHBondContact O-CB 3.06Å; G389-A392 PolarHBondContact O-N 3.2Å; A392-R394 PolarHBondContact O-N 2.88Å; A392-R395 PolarHBondContact O-N 2.9Å; A392-Q396 VanDerWaalsContact CB-OE1 3.27Å; A392-Q396 PolarHBondContact O-N 3.08Å |
| 393 | E | 49.4 | Very low | 66.7 | Low | 147 Ų | 147 | 74.3 Ų | 74.3 | 69% | 0.687 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -55.6 | -16.5 | -179.8 | -63.4 | 175.5 | 175.6 | 0 | 0 | 114.8 | R390 | R390-E393 VanDerWaalsContact CG-OE2 3.27Å; R390-E393 WeakPolarHBondContact CG-OE2 3.42Å |
| 394 | R | 49 | Very low | 66.6 | Low | 236 Ų | 236 | 74.2 Ų | 74.2 | 89% | 0.891 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -106.4 | 2.8 | 175.9 | -85.6 | -169.5 | 173.9 | -167.8 | -1 | 114.8 | A392 | A392-R394 PolarHBondContact O-N 2.88Š|
| 395 | R | 51.5 | Low | 66.8 | Low | 169 Ų | 169 | 74.2 Ų | 74.2 | 64% | 0.638 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -16 | -179.2 | -73.5 | -169.9 | 174.6 | -165.2 | 0.2 | 114.6 | A392 S439 | A392-R395 PolarHBondContact O-N 2.9Å; R395-S439 PolarHBondContact O-OG 2.76Å |
| 396 | Q | 54.5 | Low | 67.2 | Low | 27 Ų | 27 | 71.2 Ų | 71.2 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | trans | -124.7 | 79.3 | -173.1 | -72.1 | 165.6 | -54.3 | 0 | 0 | 111.2 | A392 G398 V440 | A392-Q396 VanDerWaalsContact CB-OE1 3.27Å; A392-Q396 PolarHBondContact O-N 3.08Å; Q396-G398 PolarHBondContact O-N 3.1Å; Q396-V440 HydrophobicContact CG-CG2 3.93Å | ||
| 397 | E | 51.1 | Low | 67.9 | Low | 187 Ų | 187 | 71 Ų | 71 | 87% | 0.874 | 38% | 0.383 | S | S | * | . | trans | -72.9 | 101.6 | 166.4 | -76.6 | -167.4 | 133.7 | 0 | 0 | 110.5 | S399 | E397-S399 PolarHBondContact O-N 3.25Š| ||
| 398 | G | 53.1 | Low | 68.8 | Low | 82 Ų | 82 | 68.1 Ų | 68.1 | 85% | 0.845 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 58.1 | 1.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | Q396 | Q396-G398 PolarHBondContact O-N 3.1Š|
| 399 | S | 62.9 | Low | 70.1 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 22% | 0.217 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 128.6 | -169.4 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | E397 V401 | E397-S399 PolarHBondContact O-N 3.25Å; S399-V401 PolarHBondContact O-N 3.17Å |
| 400 | N | 75.3 | Confident | 71.7 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128 | 167.2 | -74.3 | 1 | 0 | 0 | 0 | 110 | Q335 I336 | Q335-N400 PolarHBondContact OE1-ND2 2.94Å; I336-N400 WeakPolarHBondContact O-CA 3.36Å |
| 401 | V | 81.1 | Confident | 73.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.7 | 170.9 | 170.8 | 0 | 0 | 0 | 0 | 108.2 | Q335 I336 A338 S399 L403 I433 V440 | Q335-V401 WeakPolarHBondContact CA-O 3.24Å; I336-V401 HydrophobicContact CG1-CB 4.39Å; I336-V401 PolarHBondContact N-O 2.94Å; I336-V401 PolarHBondContact O-N 2.86Å; A338-V401 HydrophobicContact CB-CB 4.45Å; A338-V401 HydrophobicContact CB-CG2 3.8Å; S399-V401 PolarHBondContact O-N 3.17Å; V401-L403 HydrophobicContact CG1-CD2 4.13Å; V401-I433 HydrophobicContact CG1-CG2 3.53Å; V401-V440 HydrophobicContact CG2-CB 4.38Å; V401-V440 HydrophobicContact CG2-CG1 4.26Å; V401-V440 HydrophobicContact CG2-CG2 4.09Å |
| 402 | S | 86.1 | Confident | 75.4 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.7 | 173.5 | -172 | 0 | 0 | 0 | 0 | 110 | V313 A334 G434 | V313-S402 PolarHBondContact O-OG 3.47Å; A334-S402 CarbonylContact O-C 3.57Å; A334-S402 VanDerWaalsContact O-CA 3.22Å; A334-S402 WeakPolarHBondContact O-CA 3.21Å; A334-S402 PolarHBondContact O-OG 2.94Å; S402-G434 PolarHBondContact N-O 3.49Å; S402-G434 PolarHBondContact O-N 3.04Å; S402-G434 VanDerWaalsContact O-O 3.12Å |
| 403 | L | 88.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135 | 175.9 | -58.4 | 179.3 | 0 | 0 | 0 | 109.2 | S333 A334 I336 V344 F386 V401 F405 S432 I433 | S333-L403 CarbonylContact C-O 3.52Å; S333-L403 VanDerWaalsContact CA-O 3.26Å; S333-L403 WeakPolarHBondContact CA-O 3.44Å; A334-L403 HydrophobicContact CB-CB 4.39Å; A334-L403 PolarHBondContact N-O 2.84Å; A334-L403 PolarHBondContact O-N 3.32Å; I336-L403 HydrophobicContact CD1-CD1 3.71Å; I336-L403 HydrophobicContact CD1-CG 4.21Å; I336-L403 HydrophobicContact CG1-CD1 4.03Å; I336-L403 HydrophobicContact CG1-CG 4.18Å; V344-L403 HydrophobicContact CB-CD1 3.83Å; V344-L403 HydrophobicContact CG1-CD1 3.91Å; V344-L403 HydrophobicContact CG2-CD1 3.61Å; F386-L403 HydrophobicContact CE2-CD1 4.2Å; F386-L403 HydrophobicContact CZ-CD1 3.94Å; F386-L403 HydrophobicContact CZ-CD2 3.85Å; V401-L403 HydrophobicContact CG1-CD2 4.13Å; L403-F405 HydrophobicContact CB-CE2 3.93Å; L403-F405 HydrophobicContact CB-CZ 4.3Å; L403-F405 HydrophobicContact CD1-CZ 4.47Å; L403-S432 WeakPolarHBondContact CA-O 3.48Å; L403-I433 HydrophobicContact CD2-CB 4.26Å; L403-I433 HydrophobicContact CD2-CD1 4.37Å; L403-I433 HydrophobicContact CD2-CG1 3.77Å; L403-I433 HydrophobicContact CD2-CG2 4.08Å |
| 404 | G | 91.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S312 A431 S432 | S312-G404 VanDerWaalsContact O-CA 3.31Å; S312-G404 WeakPolarHBondContact O-CA 3.5Å; S312-G404 VanDerWaalsContact OG-CA 3.24Å; S312-G404 WeakPolarHBondContact OG-CA 3.49Å; G404-A431 WeakPolarHBondContact O-CA 3.32Å; G404-S432 PolarHBondContact N-O 3.43Å; G404-S432 PolarHBondContact O-N 2.85Å |
| 405 | F | 95.1 | Very high | 81 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135 | 178.3 | -59.4 | -83.6 | 0 | 0 | 0 | 109.7 | V331 Q332 V344 F346 L363 V382 I384 L403 S430 A431 | V331-F405 WeakPolarHBondContact CA-O 3.27Å; Q332-F405 PolarHBondContact N-O 2.86Å; Q332-F405 PolarHBondContact O-N 2.87Å; V344-F405 HydrophobicContact CG1-CE2 4.18Å; V344-F405 HydrophobicContact CG1-CZ 3.89Å; F346-F405 HydrophobicContact CB-CB 4.47Å; F346-F405 HydrophobicContact CB-CD1 3.66Å; F346-F405 HydrophobicContact CB-CD2 4.29Å; F346-F405 HydrophobicContact CB-CE1 3.87Å; F346-F405 HydrophobicContact CB-CE2 4.48Å; F346-F405 HydrophobicContact CB-CG 3.88Å; F346-F405 HydrophobicContact CB-CZ 4.28Å; F346-F405 HydrophobicContact CD2-CB 3.84Å; F346-F405 HydrophobicContact CD2-CD2 4.4Å; F346-F405 HydrophobicContact CD2-CG 4.04Å; F346-F405 HydrophobicContact CE2-CB 4.18Å; F346-F405 HydrophobicContact CG-CB 4.05Å; F346-F405 HydrophobicContact CG-CD1 4.1Å; F346-F405 HydrophobicContact CG-CG 4.01Å; L363-F405 HydrophobicContact CD1-CD2 4.11Å; L363-F405 HydrophobicContact CD1-CE2 3.68Å; L363-F405 HydrophobicContact CD1-CZ 4.3Å; V382-F405 HydrophobicContact CG1-CD1 3.7Å; V382-F405 HydrophobicContact CG1-CE1 3.79Å; I384-F405 HydrophobicContact CD1-CE1 3.77Å; I384-F405 HydrophobicContact CD1-CZ 3.9Å; I384-F405 HydrophobicContact CG1-CE1 4.35Å; L403-F405 HydrophobicContact CB-CE2 3.93Å; L403-F405 HydrophobicContact CB-CZ 4.3Å; L403-F405 HydrophobicContact CD1-CZ 4.47Å; F405-S430 WeakPolarHBondContact CA-O 3.22Å; F405-A431 HydrophobicContact CD1-CB 4.44Å; F405-A431 HydrophobicContact CE1-CB 4.45Å |
| 406 | V | 96.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.6 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | L308 L329 V330 V331 Y408 S430 | L308-V406 HydrophobicContact CB-CG1 4.33Å; L308-V406 HydrophobicContact CB-CG2 4.26Å; L308-V406 HydrophobicContact CD1-CG1 4.43Å; L329-V406 HydrophobicContact CD1-CG1 3.62Å; V330-V406 CarbonylContact O-C 3.54Å; V330-V406 VanDerWaalsContact O-CA 3.3Å; V330-V406 WeakPolarHBondContact O-CA 3.42Å; V330-V406 WeakPolarHBondContact O-CG1 3.15Å; V331-V406 HydrophobicContact CG1-CG2 4.45Å; V331-V406 HydrophobicContact CG2-CG1 4.36Å; V406-Y408 HydrophobicContact CB-CE2 3.99Å; V406-Y408 HydrophobicContact CG1-CD2 4.14Å; V406-Y408 HydrophobicContact CG1-CE1 4.03Å; V406-Y408 HydrophobicContact CG1-CE2 3.56Å; V406-Y408 VanDerWaalsContact CG1-CZ 3.49Å; V406-S430 PolarHBondContact N-O 3.42Å; V406-S430 VanDerWaalsContact N-O 3.12Å; V406-S430 PolarHBondContact O-N 3.37Å |
| 407 | L | 96.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.8 | 175.7 | 179.7 | 67 | 0 | 0 | 0 | 109.8 | L329 V330 F346 A348 F356 A380 R427 L429 | L329-L407 WeakPolarHBondContact CA-O 3.47Å; V330-L407 HydrophobicContact CB-CB 4.07Å; V330-L407 HydrophobicContact CG2-CB 4.25Å; V330-L407 HydrophobicContact CG2-CD2 4.46Å; V330-L407 PolarHBondContact N-O 2.89Å; V330-L407 PolarHBondContact O-N 3.13Å; F346-L407 HydrophobicContact CE1-CB 4.15Å; F346-L407 HydrophobicContact CE1-CD2 4.33Å; F346-L407 HydrophobicContact CZ-CB 4.22Å; A348-L407 HydrophobicContact CB-CD2 3.49Å; A348-L407 VanDerWaalsContact CB-CD2 3.49Å; F356-L407 HydrophobicContact CD1-CD2 4.27Å; F356-L407 HydrophobicContact CE1-CD2 3.56Å; F356-L407 HydrophobicContact CE1-CG 4.15Å; F356-L407 HydrophobicContact CE2-CD2 4.2Å; F356-L407 HydrophobicContact CE2-CG 4.01Å; F356-L407 WeakPolarHBondContact CE2-O 3.41Å; F356-L407 HydrophobicContact CZ-CD1 4.48Å; F356-L407 HydrophobicContact CZ-CD2 3.52Å; F356-L407 HydrophobicContact CZ-CG 3.56Å; A380-L407 HydrophobicContact CB-CD1 3.81Å; A380-L407 HydrophobicContact CB-CD2 4.26Å; L407-R427 HydrophobicContact CD1-CB 4.47Å; L407-L429 HydrophobicContact CB-CD1 4.25Å; L407-L429 HydrophobicContact CD1-CB 4.15Å; L407-L429 HydrophobicContact CD1-CD1 4.13Å |
| 408 | Y | 95.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.9 | 176.1 | -53.4 | -95.7 | 0 | 0 | 0 | 109.5 | L288 T305 L308 L329 V406 N410 F413 F414 R427 V428 N498 | L288-Y408 HydrophobicContact CD1-CD1 4.25Å; L288-Y408 HydrophobicContact CD2-CD1 4.39Å; T305-Y408 WeakPolarHBondContact CA-OH 3.44Å; T305-Y408 WeakPolarHBondContact CB-OH 3.29Å; T305-Y408 HydrophobicContact CG2-CE1 4.09Å; L308-Y408 HydrophobicContact CD1-CE1 3.63Å; L329-Y408 HydrophobicContact CD1-CD1 3.73Å; L329-Y408 HydrophobicContact CD1-CE1 3.93Å; L329-Y408 HydrophobicContact CD1-CG 4.3Å; V406-Y408 HydrophobicContact CB-CE2 3.99Å; V406-Y408 HydrophobicContact CG1-CD2 4.14Å; V406-Y408 HydrophobicContact CG1-CE1 4.03Å; V406-Y408 HydrophobicContact CG1-CE2 3.56Å; V406-Y408 VanDerWaalsContact CG1-CZ 3.49Å; Y408-N410 PolarHBondContact O-N 2.93Å; Y408-F413 HydrophobicContact CD1-CD2 4.2Å; Y408-F413 HydrophobicContact CE1-CD2 4.03Å; Y408-F413 HydrophobicContact CE1-CE2 4.42Å; Y408-F414 HydrophobicContact CD1-CE2 4.28Å; Y408-F414 AromaticContact CD2-CE2 3.95Å; Y408-F414 HydrophobicContact CD2-CE2 3.95Å; Y408-F414 HydrophobicContact CD2-CZ 4.15Å; Y408-F414 HydrophobicContact CE1-CE2 4.38Å; Y408-F414 HydrophobicContact CE2-CE2 4.06Å; Y408-F414 AromaticContact CE2-CZ 3.82Å; Y408-F414 HydrophobicContact CE2-CZ 3.82Å; Y408-F414 HydrophobicContact CG-CE2 4.06Å; Y408-R427 WeakPolarHBondContact O-CA 3.31Å; Y408-V428 HydrophobicContact CD2-CB 3.94Å; Y408-V428 HydrophobicContact CD2-CG1 4.23Å; Y408-V428 WeakPolarHBondContact CD2-O 3.28Å; Y408-V428 HydrophobicContact CG-CB 4.43Å; Y408-V428 PolarHBondContact N-O 2.79Å; Y408-V428 PolarHBondContact O-N 2.92Å; Y408-V428 VanDerWaalsContact O-N 3.13Å; Y408-N498 WeakPolarHBondContact CE2-OD1 3.29Å |
| 409 | Q | 91.8 | Very high | 87.4 | Confident | 18 Ų | 18 | 26.5 Ų | 26.5 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -66.2 | -20.9 | -179.8 | 176.3 | 50.2 | 16.5 | 0 | 0 | 113.1 | N328 S354 F356 | N328-Q409 HydrophobicContact CB-CB 3.98Å; N328-Q409 VanDerWaalsContact O-CB 3.27Å; N328-Q409 WeakPolarHBondContact O-CB 3.47Å; N328-Q409 PolarHBondContact O-N 2.81Å; S354-Q409 PolarHBondContact O-NE2 3.35Å; S354-Q409 PolarHBondContact O-OE1 2.87Å; F356-Q409 HydrophobicContact CD2-CB 4.44Å; F356-Q409 HydrophobicContact CE2-CB 3.63Å; F356-Q409 HydrophobicContact CZ-CB 3.8Å; F356-Q409 VanDerWaalsContact CZ-OE1 3.27Å |
| 410 | N | 89.2 | Confident | 88.3 | Confident | 26 Ų | 26 | 31.3 Ų | 31.3 | 14% | 0.139 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -149.7 | 165.8 | 172.6 | 66.9 | 52 | 0 | 0 | 0 | 111.5 | L288 Y408 R412 L426 | L288-N410 PolarHBondContact O-ND2 2.97Å; L288-N410 PolarHBondContact O-OD1 2.71Å; Y408-N410 PolarHBondContact O-N 2.93Å; N410-R412 PolarHBondContact O-N 2.83Å; N410-R412 VanDerWaalsContact OD1-CB 3.23Å; N410-R412 WeakPolarHBondContact OD1-CB 3.17Å; N410-R412 WeakPolarHBondContact OD1-CG 3.4Å; N410-R412 PolarHBondContact OD1-N 2.94Å; N410-L426 CarbonylContact C-O 3.6Å; N410-L426 VanDerWaalsContact C-O 3.27Å; N410-L426 VanDerWaalsContact CA-O 3.25Å; N410-L426 WeakPolarHBondContact CA-O 3.49Å |
| 411 | S | 89.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -92.8 | 48.6 | 175 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | R421 L426 | S411-R421 PolarHBondContact O-NH1 2.64Å; S411-R421 PolarHBondContact O-NH2 3.15Å; S411-R421 PolarHBondContact OG-NH1 3.09Å; S411-R421 PolarHBondContact OG-NH2 3.28Å; S411-L426 PolarHBondContact N-O 3.02Å; S411-L426 VanDerWaalsContact OG-CB 3.3Å; S411-L426 WeakPolarHBondContact OG-CB 3.36Å; S411-L426 PolarHBondContact OG-O 2.93Å | ||
| 412 | R | 86.9 | Confident | 88 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 17% | 0.166 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -71.6 | -41.3 | 172.8 | -71.7 | -80.2 | -69.2 | 99.9 | 6.6 | 111.6 | L288 V290 E297 N410 F414 | L288-R412 HydrophobicContact CD2-CB 4.48Å; V290-R412 PolarHBondContact O-NE 2.96Å; V290-R412 VanDerWaalsContact O-NE 3.09Å; V290-R412 PolarHBondContact O-NH2 2.03Å; V290-R412 VanDerWaalsContact O-NH2 3.1Å; E297-R412 VanDerWaalsContact CD-NH1 3.33Å; E297-R412 IonicContact OE1-CZ 2.69Å; E297-R412 IonicContact OE1-NH1 3.71Å; E297-R412 PolarHBondContact OE1-NH1 2.78Å; E297-R412 IonicContact OE1-NH2 3.18Å; E297-R412 PolarHBondContact OE1-NH2 3.49Å; E297-R412 IonicContact OE2-CZ 3.57Å; E297-R412 IonicContact OE2-NH1 3.34Å; E297-R412 PolarHBondContact OE2-NH1 2.93Å; E297-R412 IonicContact OE2-NH2 2.7Å; N410-R412 PolarHBondContact O-N 2.83Å; N410-R412 VanDerWaalsContact OD1-CB 3.23Å; N410-R412 WeakPolarHBondContact OD1-CB 3.17Å; N410-R412 WeakPolarHBondContact OD1-CG 3.4Å; N410-R412 PolarHBondContact OD1-N 2.94Å; R412-F414 PolarHBondContact O-N 2.8Å |
| 413 | F | 89.2 | Confident | 87.3 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -72.4 | -2 | 176.1 | -56.9 | -24.4 | 0 | 0 | 0 | 114.9 | V284 L287 L288 L304 T305 Y408 P415 | V284-F413 HydrophobicContact CG1-CE2 3.48Å; V284-F413 VanDerWaalsContact CG1-CE2 3.48Å; V284-F413 HydrophobicContact CG1-CZ 3.67Å; L287-F413 HydrophobicContact CB-CE1 4.28Å; L287-F413 HydrophobicContact CB-CZ 4.2Å; L288-F413 HydrophobicContact CD1-CE2 4.35Å; L288-F413 HydrophobicContact CD2-CD1 4.06Å; L288-F413 HydrophobicContact CD2-CD2 3.62Å; L288-F413 HydrophobicContact CD2-CE1 3.9Å; L288-F413 HydrophobicContact CD2-CE2 3.44Å; L288-F413 VanDerWaalsContact CD2-CE2 3.44Å; L288-F413 HydrophobicContact CD2-CG 3.93Å; L288-F413 HydrophobicContact CD2-CZ 3.59Å; L288-F413 HydrophobicContact CG-CD2 4.36Å; L288-F413 HydrophobicContact CG-CE1 4.26Å; L288-F413 HydrophobicContact CG-CE2 3.68Å; L288-F413 HydrophobicContact CG-CZ 3.62Å; L304-F413 HydrophobicContact CD1-CE1 4.31Å; L304-F413 HydrophobicContact CD1-CE2 4.27Å; L304-F413 HydrophobicContact CD1-CZ 3.96Å; T305-F413 HydrophobicContact CG2-CB 3.75Å; T305-F413 HydrophobicContact CG2-CD2 3.95Å; T305-F413 HydrophobicContact CG2-CG 4.31Å; Y408-F413 HydrophobicContact CD1-CD2 4.2Å; Y408-F413 HydrophobicContact CE1-CD2 4.03Å; Y408-F413 HydrophobicContact CE1-CE2 4.42Å; F413-P415 VanDerWaalsContact O-CD 3.23Å; F413-P415 WeakPolarHBondContact O-CD 3.29Å |
| 414 | F | 89.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -121 | 69.6 | -176.8 | -54.2 | -88.4 | 0 | 0 | 0 | 110.4 | T305 Y408 R412 S416 V428 W467 W474 N498 | T305-F414 HydrophobicContact CG2-CE1 3.93Å; T305-F414 HydrophobicContact CG2-CE2 3.97Å; T305-F414 HydrophobicContact CG2-CZ 3.45Å; T305-F414 VanDerWaalsContact CG2-CZ 3.45Å; Y408-F414 HydrophobicContact CD1-CE2 4.28Å; Y408-F414 AromaticContact CD2-CE2 3.95Å; Y408-F414 HydrophobicContact CD2-CE2 3.95Å; Y408-F414 HydrophobicContact CD2-CZ 4.15Å; Y408-F414 HydrophobicContact CE1-CE2 4.38Å; Y408-F414 HydrophobicContact CE2-CE2 4.06Å; Y408-F414 AromaticContact CE2-CZ 3.82Å; Y408-F414 HydrophobicContact CE2-CZ 3.82Å; Y408-F414 HydrophobicContact CG-CE2 4.06Å; R412-F414 PolarHBondContact O-N 2.8Å; F414-S416 PolarHBondContact O-N 2.86Å; F414-S416 VanDerWaalsContact O-N 3.16Å; F414-V428 HydrophobicContact CD2-CB 4.19Å; F414-V428 HydrophobicContact CD2-CG1 4.18Å; F414-V428 HydrophobicContact CD2-CG2 3.69Å; F414-V428 HydrophobicContact CE1-CG1 4.24Å; F414-V428 HydrophobicContact CE2-CB 3.89Å; F414-V428 HydrophobicContact CE2-CG1 3.77Å; F414-V428 HydrophobicContact CE2-CG2 3.92Å; F414-V428 HydrophobicContact CG-CG2 4.3Å; F414-V428 HydrophobicContact CZ-CB 4.41Å; F414-V428 HydrophobicContact CZ-CG1 3.8Å; F414-W467 HydrophobicContact CB-CD2 4.29Å; F414-W467 HydrophobicContact CB-CE3 3.87Å; F414-W467 HydrophobicContact CB-CZ3 4Å; F414-W467 HydrophobicContact CD1-CB 3.92Å; F414-W467 AromaticContact CD1-CD2 3.7Å; F414-W467 HydrophobicContact CD1-CD2 3.7Å; F414-W467 HydrophobicContact CD1-CE3 4.08Å; F414-W467 AromaticContact CD1-CG 3.61Å; F414-W467 HydrophobicContact CD1-CG 3.61Å; F414-W467 HydrophobicContact CE1-CB 4.21Å; F414-W467 HydrophobicContact CE1-CG 4.13Å; F414-W467 HydrophobicContact CG-CD2 4.5Å; F414-W467 HydrophobicContact CG-CE3 4.49Å; F414-W474 HydrophobicContact CB-CH2 3.8Å; F414-W474 HydrophobicContact CB-CZ2 3.53Å; F414-W474 HydrophobicContact CD1-CH2 4.18Å; F414-W474 HydrophobicContact CG-CH2 4.01Å; F414-W474 HydrophobicContact CG-CZ2 4.25Å; F414-N498 HydrophobicContact CE1-CB 3.76Å; F414-N498 HydrophobicContact CZ-CB 4.13Å; F414-N498 WeakPolarHBondContact CZ-OD1 3.17Å |
| 415 | P | 86.1 | Confident | 85.8 | Confident | 53 Ų | 53 | 44 Ų | 44 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | trans | -78.8 | 96.2 | -173.3 | 32.1 | -36.1 | 0 | 0 | 0 | 112.1 | F413 | F413-P415 VanDerWaalsContact O-CD 3.23Å; F413-P415 WeakPolarHBondContact O-CD 3.29Å | ||
| 416 | S | 86.1 | Confident | 85.5 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | trans | -69.6 | 145.4 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 113 | F414 T418 Y419 D473 | F414-S416 PolarHBondContact O-N 2.86Å; F414-S416 VanDerWaalsContact O-N 3.16Å; S416-T418 PolarHBondContact OG-N 2.91Å; S416-Y419 PolarHBondContact OG-N 2.88Å; S416-D473 VanDerWaalsContact CA-OD1 3.26Å; S416-D473 WeakPolarHBondContact CA-OD1 3.34Å; S416-D473 WeakPolarHBondContact CB-OD1 3.45Å; S416-D473 PolarHBondContact OG-OD1 2.66Å | ||
| 417 | R | 85.2 | Confident | 85.4 | Confident | 186 Ų | 186 | 46 Ų | 46 | 70% | 0.702 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -97.6 | -28 | 167.2 | -59.6 | -178.7 | -174.4 | 162 | 8.2 | 111.7 | D473 | R417-D473 PolarHBondContact N-OD2 2.72Š|
| 418 | T | 85.8 | Confident | 85.3 | Confident | 67 Ų | 67 | 46 Ų | 46 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -80.3 | -43.8 | -177 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | S416 D473 I596 | S416-T418 PolarHBondContact OG-N 2.91Å; T418-D473 WeakPolarHBondContact CB-OD2 3.39Å; T418-D473 PolarHBondContact N-OD2 2.79Å; T418-D473 PolarHBondContact OG1-OD2 3.03Å; T418-I596 HydrophobicContact CG2-CB 4.49Å; T418-I596 HydrophobicContact CG2-CG2 3.77Å |
| 419 | Y | 87.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -103.6 | 117.1 | -178.1 | 176.4 | -85.9 | 0 | 0 | 0 | 111.4 | S416 R421 L426 L502 W503 L597 D600 | S416-Y419 PolarHBondContact OG-N 2.88Å; Y419-R421 HydrophobicContact CE1-CB 4.15Å; Y419-R421 HydrophobicContact CE1-CG 4.39Å; Y419-L426 HydrophobicContact CD1-CD1 4.27Å; Y419-L426 HydrophobicContact CE1-CD1 3.47Å; Y419-L426 VanDerWaalsContact CE1-CD1 3.47Å; Y419-L502 HydrophobicContact CD1-CD2 4.1Å; Y419-L502 HydrophobicContact CD2-CB 3.93Å; Y419-L502 HydrophobicContact CD2-CD1 3.93Å; Y419-L502 HydrophobicContact CD2-CD2 4.32Å; Y419-L502 HydrophobicContact CD2-CG 4.28Å; Y419-L502 HydrophobicContact CE1-CD2 4.19Å; Y419-L502 HydrophobicContact CE2-CB 3.73Å; Y419-L502 HydrophobicContact CE2-CD2 4.38Å; Y419-L502 HydrophobicContact CE2-CG 4.43Å; Y419-L502 HydrophobicContact CG-CD1 4.01Å; Y419-L502 HydrophobicContact CG-CD2 4.15Å; Y419-L502 HydrophobicContact CG-CG 4.47Å; Y419-W503 PolarHBondContact OH-O 3.25Å; Y419-L597 HydrophobicContact CD2-CB 4.26Å; Y419-L597 WeakPolarHBondContact CD2-O 3.12Å; Y419-L597 HydrophobicContact CE2-CB 4.41Å; Y419-D600 HydrophobicContact CE1-CB 4.38Å; Y419-D600 WeakPolarHBondContact OH-CB 3.31Å |
| 420 | R | 82.7 | Confident | 85.5 | Confident | 132 Ų | 132 | 45.2 Ų | 45.2 | 50% | 0.498 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -90 | 135.6 | 176.3 | -57.6 | -161.7 | -165.6 | 85.3 | 14.3 | 111.8 | E598 S599 D600 | R420-E598 IonicContact CZ-OE1 3.63Å; R420-E598 VanDerWaalsContact CZ-OE1 3.31Å; R420-E598 PolarHBondContact N-O 2.8Å; R420-E598 IonicContact NH1-OE1 3.02Å; R420-E598 PolarHBondContact NH1-OE1 3.4Å; R420-E598 IonicContact NH2-OE1 3.54Å; R420-E598 PolarHBondContact NH2-OE1 2.8Å; R420-S599 VanDerWaalsContact O-CA 3.31Å; R420-S599 WeakPolarHBondContact O-CA 3.3Å; R420-S599 PolarHBondContact O-OG 2.73Å; R420-D600 PolarHBondContact O-N 2.76Å; R420-D600 VanDerWaalsContact O-N 3.08Å |
| 421 | R | 79.1 | Confident | 85.7 | Confident | 65 Ų | 65 | 44 Ų | 44 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | trans | -117.6 | 102.7 | -174.7 | -165.2 | -165.3 | -42.3 | 162.5 | 9 | 111.4 | K292 S411 Y419 A424 | K292-R421 PolarHBondContact NZ-O 2.64Å; S411-R421 PolarHBondContact O-NH1 2.64Å; S411-R421 PolarHBondContact O-NH2 3.15Å; S411-R421 PolarHBondContact OG-NH1 3.09Å; S411-R421 PolarHBondContact OG-NH2 3.28Å; Y419-R421 HydrophobicContact CE1-CB 4.15Å; Y419-R421 HydrophobicContact CE1-CG 4.39Å; R421-A424 VanDerWaalsContact CD-O 3.28Å; R421-A424 WeakPolarHBondContact CD-O 3.24Å; R421-A424 VanDerWaalsContact CG-O 3.29Å; R421-A424 WeakPolarHBondContact CG-O 3.49Å | ||
| 422 | R | 71.1 | Confident | 85.7 | Confident | 125 Ų | 125 | 45 Ų | 45 | 47% | 0.472 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -84.7 | -55.8 | 176.6 | -63.4 | -179.4 | 173.4 | -169 | -4.3 | 111.7 | D600 N678 | R422-D600 WeakPolarHBondContact CA-OD2 3.34Å; R422-D600 WeakPolarHBondContact CB-OD1 3.45Å; R422-D600 PolarHBondContact N-OD1 2.57Å; R422-D600 PolarHBondContact N-OD2 2.99Å; R422-N678 PolarHBondContact NH2-OD1 3.35Å |
| 423 | R | 70.6 | Confident | 85.7 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -131.8 | -26.7 | -174.5 | -59.1 | -172.2 | -162.9 | 115.9 | 24.6 | 114.9 | S425 E507 D600 W695 | R423-S425 PolarHBondContact O-N 2.78Å; R423-E507 IonicContact NH1-OE1 2.76Å; R423-D600 PolarHBondContact N-OD2 2.71Å; R423-W695 VanDerWaalsContact NE-CE3 3.27Å |
| 424 | A | 73.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | trans | -61.9 | 128.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R421 W503 D600 | R421-A424 VanDerWaalsContact CD-O 3.28Å; R421-A424 WeakPolarHBondContact CD-O 3.24Å; R421-A424 VanDerWaalsContact CG-O 3.29Å; R421-A424 WeakPolarHBondContact CG-O 3.49Å; A424-W503 HydrophobicContact CB-CD2 4.38Å; A424-W503 HydrophobicContact CB-CH2 4.02Å; A424-W503 HydrophobicContact CB-CZ2 3.57Å; A424-D600 HydrophobicContact CB-CB 3.59Å; A424-D600 PolarHBondContact N-OD2 3.41Å | ||
| 425 | S | 76.9 | Confident | 84.2 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 51% | 0.51 | 24% | 0.236 | S | C | . | . | trans | -79.7 | 140.1 | 162 | -165.6 | 0 | 0 | 0 | 0 | 109.6 | R423 W503 | R423-S425 PolarHBondContact O-N 2.78Å; S425-W503 PolarHBondContact O-NE1 2.85Å | ||
| 426 | L | 88.3 | Confident | 82.7 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | trans | -139.5 | 101.8 | -174.1 | -74.3 | 177 | 0 | 0 | 0 | 108.3 | N410 S411 Y419 A501 L502 W503 | N410-L426 CarbonylContact C-O 3.6Å; N410-L426 VanDerWaalsContact C-O 3.27Å; N410-L426 VanDerWaalsContact CA-O 3.25Å; N410-L426 WeakPolarHBondContact CA-O 3.49Å; S411-L426 PolarHBondContact N-O 3.02Å; S411-L426 VanDerWaalsContact OG-CB 3.3Å; S411-L426 WeakPolarHBondContact OG-CB 3.36Å; S411-L426 PolarHBondContact OG-O 2.93Å; Y419-L426 HydrophobicContact CD1-CD1 4.27Å; Y419-L426 HydrophobicContact CE1-CD1 3.47Å; Y419-L426 VanDerWaalsContact CE1-CD1 3.47Å; L426-A501 WeakPolarHBondContact CD2-O 3.04Å; L426-L502 HydrophobicContact CD1-CD2 3.71Å; L426-L502 HydrophobicContact CD2-CD2 4.46Å; L426-W503 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 427 | R | 92.6 | Very high | 81.2 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | trans | -69.7 | 152 | 169.6 | -70.6 | -180 | 174.7 | 141.6 | -9.4 | 110.2 | D379 L407 Y408 | D379-R427 PolarHBondContact O-NH1 2.81Å; D379-R427 IonicContact OD1-NH1 3.31Å; D379-R427 IonicContact OD2-CZ 3.65Å; D379-R427 IonicContact OD2-NH1 3.42Å; D379-R427 PolarHBondContact OD2-NH1 3.09Å; D379-R427 IonicContact OD2-NH2 2.64Å; D379-R427 PolarHBondContact OD2-NH2 3.35Å; L407-R427 HydrophobicContact CD1-CB 4.47Å; Y408-R427 WeakPolarHBondContact O-CA 3.31Å | ||
| 428 | V | 95.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.6 | 173.3 | -172.4 | 0 | 0 | 0 | 0 | 108 | Y408 F414 W474 N498 F499 A500 | Y408-V428 HydrophobicContact CD2-CB 3.94Å; Y408-V428 HydrophobicContact CD2-CG1 4.23Å; Y408-V428 WeakPolarHBondContact CD2-O 3.28Å; Y408-V428 HydrophobicContact CG-CB 4.43Å; Y408-V428 PolarHBondContact N-O 2.79Å; Y408-V428 PolarHBondContact O-N 2.92Å; Y408-V428 VanDerWaalsContact O-N 3.13Å; F414-V428 HydrophobicContact CD2-CB 4.19Å; F414-V428 HydrophobicContact CD2-CG1 4.18Å; F414-V428 HydrophobicContact CD2-CG2 3.69Å; F414-V428 HydrophobicContact CE1-CG1 4.24Å; F414-V428 HydrophobicContact CE2-CB 3.89Å; F414-V428 HydrophobicContact CE2-CG1 3.77Å; F414-V428 HydrophobicContact CE2-CG2 3.92Å; F414-V428 HydrophobicContact CG-CG2 4.3Å; F414-V428 HydrophobicContact CZ-CB 4.41Å; F414-V428 HydrophobicContact CZ-CG1 3.8Å; V428-W474 HydrophobicContact CG1-CH2 4.2Å; V428-W474 HydrophobicContact CG2-CH2 4Å; V428-W474 HydrophobicContact CG2-CZ2 4.49Å; V428-N498 HydrophobicContact CG1-CB 4.14Å; V428-F499 CarbonylContact C-O 3.55Å; V428-F499 VanDerWaalsContact CA-O 3.31Å; V428-F499 WeakPolarHBondContact CA-O 3.01Å; V428-F499 VanDerWaalsContact CG1-O 3.29Å; V428-F499 WeakPolarHBondContact CG1-O 3.46Å; V428-A500 HydrophobicContact CG2-CB 4.44Å |
| 429 | L | 96.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 111.7 | -177.1 | 179.7 | 48.5 | 0 | 0 | 0 | 108.6 | F346 A380 V382 L407 F449 F499 | F346-L429 HydrophobicContact CD1-CD1 3.98Å; F346-L429 HydrophobicContact CE1-CD1 3.91Å; A380-L429 HydrophobicContact CB-CD2 4.46Å; V382-L429 HydrophobicContact CB-CD2 3.69Å; V382-L429 HydrophobicContact CB-CG 4.13Å; V382-L429 HydrophobicContact CG1-CD1 4.01Å; V382-L429 HydrophobicContact CG1-CD2 3.79Å; V382-L429 HydrophobicContact CG1-CG 3.94Å; L407-L429 HydrophobicContact CB-CD1 4.25Å; L407-L429 HydrophobicContact CD1-CB 4.15Å; L407-L429 HydrophobicContact CD1-CD1 4.13Å; L429-F449 HydrophobicContact CB-CE1 4Å; L429-F449 HydrophobicContact CB-CZ 4.26Å; L429-F499 PolarHBondContact N-O 3.13Å; L429-F499 WeakPolarHBondContact O-CB 3.47Å; L429-F499 WeakPolarHBondContact O-CD2 3.14Å; L429-F499 PolarHBondContact O-N 3.22Å |
| 430 | S | 95 | Very high | 77.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 140.7 | 174.1 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | D309 F405 V406 T497 N498 | D309-S430 VanDerWaalsContact OD1-CB 3.29Å; D309-S430 WeakPolarHBondContact OD1-CB 3.44Å; D309-S430 PolarHBondContact OD1-OG 2.74Å; F405-S430 WeakPolarHBondContact CA-O 3.22Å; V406-S430 PolarHBondContact N-O 3.42Å; V406-S430 VanDerWaalsContact N-O 3.12Å; V406-S430 PolarHBondContact O-N 3.37Å; S430-T497 WeakPolarHBondContact CA-O 3.22Å; S430-N498 WeakPolarHBondContact CB-OD1 3.26Å; S430-N498 PolarHBondContact OG-ND2 2.84Å |
| 431 | A | 93 | Very high | 76.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | V382 I384 G404 F405 T496 T497 | V382-A431 HydrophobicContact CG2-CB 4.44Å; I384-A431 HydrophobicContact CD1-CB 4.06Å; G404-A431 WeakPolarHBondContact O-CA 3.32Å; F405-A431 HydrophobicContact CD1-CB 4.44Å; F405-A431 HydrophobicContact CE1-CB 4.45Å; A431-T496 CarbonylContact O-C 3.59Å; A431-T496 VanDerWaalsContact O-C 3.27Å; A431-T496 WeakPolarHBondContact O-CB 3.08Å; A431-T497 PolarHBondContact N-O 3.38Å; A431-T497 VanDerWaalsContact N-O 3.14Å; A431-T497 PolarHBondContact O-N 2.97Å |
| 432 | S | 90.2 | Very high | 76.3 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.7 | -179.6 | -75.1 | 0 | 0 | 0 | 0 | 110.8 | L403 G404 | L403-S432 WeakPolarHBondContact CA-O 3.48Å; G404-S432 PolarHBondContact N-O 3.43Å; G404-S432 PolarHBondContact O-N 2.85Å |
| 433 | I | 87.1 | Confident | 76.7 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.7 | 177 | -54.1 | -175.5 | 0 | 0 | 0 | 108 | F386 V401 L403 A442 T496 | F386-I433 HydrophobicContact CE1-CD1 4.14Å; V401-I433 HydrophobicContact CG1-CG2 3.53Å; L403-I433 HydrophobicContact CD2-CB 4.26Å; L403-I433 HydrophobicContact CD2-CD1 4.37Å; L403-I433 HydrophobicContact CD2-CG1 3.77Å; L403-I433 HydrophobicContact CD2-CG2 4.08Å; I433-A442 HydrophobicContact CD1-CB 4.07Å; I433-T496 HydrophobicContact CD1-CG2 3.83Å; I433-T496 HydrophobicContact CG1-CG2 4Å |
| 434 | G | 78.1 | Confident | 77.5 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S402 | S402-G434 PolarHBondContact N-O 3.49Å; S402-G434 PolarHBondContact O-N 3.04Å; S402-G434 VanDerWaalsContact O-O 3.12Å |
| 435 | G | 68 | Low | 78.5 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | trans | -168 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D437 | G435-D437 VanDerWaalsContact C-N 3.31Š| ||
| 436 | P | 54.6 | Low | 79.3 | Confident | 114 Ų | 114 | 44.3 Ų | 44.3 | 74% | 0.74 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -67.3 | -33 | 178 | 27.6 | -34 | 0 | 0 | 0 | 112.3 | ||
| 437 | D | 54.9 | Low | 79.6 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | trans | -99.3 | 131.7 | 173.1 | -171.5 | 4.4 | 0 | 0 | 0 | 111.2 | G435 S439 | G435-D437 VanDerWaalsContact C-N 3.31Å; D437-S439 VanDerWaalsContact C-N 3.28Å; D437-S439 WeakPolarHBondContact OD1-CB 2.98Å; D437-S439 PolarHBondContact OD1-N 3.39Å; D437-S439 WeakPolarHBondContact OD2-CB 3.35Å; D437-S439 PolarHBondContact OD2-OG 2.73Å | ||
| 438 | R | 54.9 | Low | 79.7 | Confident | 240 Ų | 240 | 44.3 Ų | 44.3 | 91% | 0.906 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.8 | 175.3 | -69.2 | -177.7 | 169.9 | -170.2 | -4.1 | 113 | V440 | R438-V440 VanDerWaalsContact C-N 3.3Å; R438-V440 PolarHBondContact O-N 2.95Å |
| 439 | S | 54.7 | Low | 79.6 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.4 | 178.7 | 78.6 | 0 | 0 | 0 | 0 | 114.5 | R395 D437 V441 | R395-S439 PolarHBondContact O-OG 2.76Å; D437-S439 VanDerWaalsContact C-N 3.28Å; D437-S439 WeakPolarHBondContact OD1-CB 2.98Å; D437-S439 PolarHBondContact OD1-N 3.39Å; D437-S439 WeakPolarHBondContact OD2-CB 3.35Å; D437-S439 PolarHBondContact OD2-OG 2.73Å; S439-V441 PolarHBondContact O-N 3.34Å |
| 440 | V | 63.7 | Low | 79.3 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | trans | -84 | 112.7 | -175.9 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | F386 Q396 V401 R438 | F386-V440 HydrophobicContact CD1-CG1 4.43Å; F386-V440 HydrophobicContact CE1-CG1 4.46Å; Q396-V440 HydrophobicContact CG-CG2 3.93Å; V401-V440 HydrophobicContact CG2-CB 4.38Å; V401-V440 HydrophobicContact CG2-CG1 4.26Å; V401-V440 HydrophobicContact CG2-CG2 4.09Å; R438-V440 VanDerWaalsContact C-N 3.3Å; R438-V440 PolarHBondContact O-N 2.95Å | ||
| 441 | V | 68.9 | Low | 78.9 | Confident | 88 Ų | 88 | 49 Ų | 49 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | trans | -125.9 | 142.5 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | S439 | S439-V441 PolarHBondContact O-N 3.34Š| ||
| 442 | A | 74.4 | Confident | 78.3 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | trans | -61 | 138.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I384 I433 V445 T496 | I384-A442 HydrophobicContact CG2-CB 3.62Å; I433-A442 HydrophobicContact CD1-CB 4.07Å; A442-V445 HydrophobicContact CB-CG2 3.87Å; A442-T496 HydrophobicContact CB-CG2 3.98Å | ||
| 443 | E | 79.9 | Confident | 77.8 | Confident | 104 Ų | 104 | 58.5 Ų | 58.5 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -72.9 | -46 | 173.5 | -179.6 | -179.1 | -156.4 | 0 | 0 | 110.3 | R385 P387 | R385-E443 VanDerWaalsContact CD-OE2 3.3Å; R385-E443 WeakPolarHBondContact CD-OE2 3.32Å; R385-E443 PolarHBondContact O-N 2.91Å; P387-E443 HydrophobicContact CB-CB 4.39Å |
| 444 | T | 88.5 | Confident | 77.3 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.3 | 178.9 | 32.6 | 0 | 0 | 0 | 0 | 109.9 | R385 | R385-T444 WeakPolarHBondContact CB-OG1 3.02Å; R385-T444 PolarHBondContact N-O 3.02Å; R385-T444 PolarHBondContact NH1-OG1 3.26Å |
| 445 | V | 93.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 107.6 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | V382 Y383 I384 A442 M447 S492 C493 H495 T496 F499 | V382-V445 HydrophobicContact CG2-CG1 3.45Å; V382-V445 VanDerWaalsContact CG2-CG1 3.45Å; Y383-V445 CarbonylContact O-C 3.42Å; Y383-V445 WeakPolarHBondContact O-CA 3.31Å; I384-V445 HydrophobicContact CG1-CG2 4.44Å; I384-V445 HydrophobicContact CG2-CG2 4.44Å; A442-V445 HydrophobicContact CB-CG2 3.87Å; V445-M447 HydrophobicContact CG1-CG 4.25Å; V445-M447 HydrophobicContact CG1-SD 3.99Å; V445-S492 CarbonylContact O-C 3.5Å; V445-S492 WeakPolarHBondContact O-CA 3.15Å; V445-C493 PolarHBondContact N-O 2.76Å; V445-C493 PolarHBondContact O-N 2.86Å; V445-H495 VanDerWaalsContact CG2-O 3.24Å; V445-H495 WeakPolarHBondContact CG2-O 3.4Å; V445-T496 HydrophobicContact CG2-CG2 3.83Å; V445-F499 HydrophobicContact CG1-CE2 4.28Å |
| 446 | E | 94.6 | Very high | 77.4 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.8 | 178 | -66.9 | 172.8 | -151.7 | 0 | 0 | 109.3 | V370 V382 Y383 R385 C491 | V370-E446 HydrophobicContact CG2-CB 4.14Å; V370-E446 VanDerWaalsContact CG2-OE2 3.31Å; V370-E446 WeakPolarHBondContact CG2-OE2 3.39Å; V382-E446 CarbonylContact C-O 3.56Å; V382-E446 WeakPolarHBondContact CA-O 3.09Å; Y383-E446 HydrophobicContact CD1-CB 4.33Å; Y383-E446 PolarHBondContact N-O 3.39Å; Y383-E446 PolarHBondContact O-N 2.86Å; R385-E446 IonicContact CZ-OE1 3.54Å; R385-E446 IonicContact NH1-OE1 2.73Å; R385-E446 PolarHBondContact NH1-OE1 3Å; R385-E446 IonicContact NH2-OE1 3.65Å; R385-E446 PolarHBondContact NH2-OE1 3.04Å; E446-C491 WeakPolarHBondContact CA-O 3.19Å |
| 447 | M | 94.6 | Very high | 78.5 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.9 | 179.1 | -44.5 | 94.8 | 71.5 | 0 | 0 | 112.5 | L381 V382 V445 F449 C491 F499 | L381-M447 CarbonylContact O-C 3.49Å; L381-M447 VanDerWaalsContact O-CA 3.24Å; L381-M447 WeakPolarHBondContact O-CA 3.29Å; L381-M447 WeakPolarHBondContact O-CB 3.46Å; V382-M447 HydrophobicContact CB-CG 4.18Å; V382-M447 HydrophobicContact CG2-CG 3.94Å; V445-M447 HydrophobicContact CG1-CG 4.25Å; V445-M447 HydrophobicContact CG1-SD 3.99Å; M447-F449 HydrophobicContact CB-CE2 3.83Å; M447-F449 HydrophobicContact CB-CZ 4.33Å; M447-F449 HydrophobicContact CE-CE2 4.15Å; M447-F449 HydrophobicContact CE-CZ 4.5Å; M447-C491 HydrophobicContact CB-CB 4.32Å; M447-C491 HydrophobicContact CE-CB 3.65Å; M447-C491 PolarHBondContact N-O 3.02Å; M447-C491 PolarHBondContact O-N 2.92Å; M447-C491 HydrophobicContact SD-CB 4.15Å; M447-F499 HydrophobicContact CE-CB 3.48Å; M447-F499 VanDerWaalsContact CE-CB 3.48Å; M447-F499 HydrophobicContact CE-CD1 3.7Å; M447-F499 HydrophobicContact CE-CD2 4.19Å; M447-F499 HydrophobicContact CE-CE1 4.47Å; M447-F499 HydrophobicContact CE-CG 3.53Å; M447-F499 HydrophobicContact SD-CG 4.39Å |
| 448 | Q | 93.8 | Very high | 79.9 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.6 | 172 | -55 | -171.9 | 2.6 | 0 | 0 | 110.4 | A380 L381 V488 L489 R490 | A380-Q448 WeakPolarHBondContact CA-O 3.49Å; L381-Q448 HydrophobicContact CB-CB 4.28Å; L381-Q448 HydrophobicContact CD2-CG 4.46Å; L381-Q448 PolarHBondContact N-O 2.04Å; L381-Q448 PolarHBondContact O-N 3.24Å; Q448-V488 HydrophobicContact CB-CG1 3.89Å; Q448-V488 HydrophobicContact CG-CG1 4.42Å; Q448-L489 WeakPolarHBondContact CA-O 3.14Å; Q448-R490 HydrophobicContact CG-CG 4.36Å |
| 449 | F | 92.9 | Very high | 81.3 | Confident | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.9 | 177.9 | -60.7 | -89.7 | 0 | 0 | 0 | 109.5 | L429 M447 L489 F499 A501 | L429-F449 HydrophobicContact CB-CE1 4Å; L429-F449 HydrophobicContact CB-CZ 4.26Å; M447-F449 HydrophobicContact CB-CE2 3.83Å; M447-F449 HydrophobicContact CB-CZ 4.33Å; M447-F449 HydrophobicContact CE-CE2 4.15Å; M447-F449 HydrophobicContact CE-CZ 4.5Å; F449-L489 HydrophobicContact CB-CB 4.49Å; F449-L489 PolarHBondContact N-O 3.03Å; F449-L489 PolarHBondContact O-N 3Å; F449-F499 HydrophobicContact CZ-CB 4.44Å; F449-A501 HydrophobicContact CB-CB 4.2Å; F449-A501 HydrophobicContact CD2-CB 3.58Å; F449-A501 HydrophobicContact CE2-CB 4.13Å; F449-A501 HydrophobicContact CG-CB 4Å |
| 450 | R | 90.1 | Very high | 82.7 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130.6 | 171.4 | -176.2 | 163.4 | -66.6 | -76.4 | 0.5 | 110.3 | I377 A378 D379 D486 G487 | I377-R450 VanDerWaalsContact CG2-NE 3.34Å; A378-R450 PolarHBondContact O-NE 3.15Å; A378-R450 VanDerWaalsContact O-NE 3.1Å; D379-R450 PolarHBondContact O-N 2.87Å; D379-R450 WeakPolarHBondContact OD1-CD 3.33Å; R450-D486 PolarHBondContact NH1-O 2.81Å; R450-G487 WeakPolarHBondContact CA-O 3.39Å |
| 451 | V | 87.3 | Confident | 83.9 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.085 | 28% | 0.284 | C | S | . | . | trans | -100 | 144.1 | 173.5 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | L453 G487 L489 W503 | V451-L453 HydrophobicContact CG2-CG 4.49Å; V451-G487 WeakPolarHBondContact CG2-O 3.28Å; V451-G487 PolarHBondContact N-O 2.69Å; V451-L489 HydrophobicContact CG1-CD1 3.54Å; V451-L489 HydrophobicContact CG1-CG 3.93Å; V451-W503 HydrophobicContact CB-CD2 4.35Å; V451-W503 HydrophobicContact CB-CZ2 4.32Å; V451-W503 HydrophobicContact CG1-CD2 3.89Å; V451-W503 HydrophobicContact CG1-CG 3.77Å; V451-W503 HydrophobicContact CG1-CZ2 4.4Å | ||
| 452 | M | 80 | Confident | 85.1 | Confident | 155 Ų | 155 | 52 Ų | 52 | 76% | 0.764 | 26% | 0.259 | S | S | * | . | trans | -105.1 | 93.9 | 172 | -66.7 | -63.3 | -71 | 0 | 0 | 108.1 | ||||
| 453 | L | 79.9 | Confident | 86 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 139.8 | 175.9 | -75 | 162.4 | 0 | 0 | 0 | 110.5 | V451 L459 W503 F505 | V451-L453 HydrophobicContact CG2-CG 4.49Å; L453-L459 HydrophobicContact CD1-CB 4.35Å; L453-L459 HydrophobicContact CD2-CB 4.43Å; L453-W503 HydrophobicContact CD2-CE3 4.43Å; L453-W503 HydrophobicContact CD2-CZ3 3.85Å; L453-F505 HydrophobicContact CD2-CB 3.97Å |
| 454 | P | 76.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -55.9 | 160.2 | 163.9 | -23.2 | 32 | 0 | 0 | 0 | 112.7 | T457 | P454-T457 HydrophobicContact CB-CG2 3.85Å; P454-T457 VanDerWaalsContact CD-OG1 3.26Å; P454-T457 WeakPolarHBondContact CD-OG1 3.25Å; P454-T457 HydrophobicContact CG-CG2 4.32Å; P454-T457 PolarHBondContact O-N 2.87Å; P454-T457 PolarHBondContact O-OG1 3.15Å |
| 455 | K | 75.1 | Confident | 87.1 | Confident | 198 Ų | 198 | 45.1 Ų | 45.1 | 86% | 0.861 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 143.3 | 171.3 | -66.3 | -174.6 | 178.1 | -176.2 | 0 | 110.1 | T457 | K455-T457 VanDerWaalsContact C-N 3.3Å; K455-T457 PolarHBondContact O-N 2.97Å |
| 456 | N | 73.9 | Confident | 87.2 | Confident | 103 Ų | 103 | 46.2 Ų | 46.2 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 42.6 | -179.1 | -48.6 | 8 | 0 | 0 | 0 | 111.8 | D508 | N456-D508 PolarHBondContact O-N 3.42Š|
| 457 | T | 78.4 | Confident | 87.2 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.6 | 174.4 | 66.8 | 0 | 0 | 0 | 0 | 112.2 | P454 K455 F505 R506 E507 D508 | P454-T457 HydrophobicContact CB-CG2 3.85Å; P454-T457 VanDerWaalsContact CD-OG1 3.26Å; P454-T457 WeakPolarHBondContact CD-OG1 3.25Å; P454-T457 HydrophobicContact CG-CG2 4.32Å; P454-T457 PolarHBondContact O-N 2.87Å; P454-T457 PolarHBondContact O-OG1 3.15Å; K455-T457 VanDerWaalsContact C-N 3.3Å; K455-T457 PolarHBondContact O-N 2.97Å; T457-F505 HydrophobicContact CG2-CD2 3.61Å; T457-F505 HydrophobicContact CG2-CE2 4.04Å; T457-F505 HydrophobicContact CG2-CG 4.46Å; T457-R506 CarbonylContact C-O 3.58Å; T457-R506 WeakPolarHBondContact CA-O 3.45Å; T457-R506 WeakPolarHBondContact CB-O 3.47Å; T457-E507 HydrophobicContact CG2-CG 3.87Å; T457-D508 WeakPolarHBondContact CA-OD2 3.35Å; T457-D508 PolarHBondContact N-OD2 3.44Å |
| 458 | S | 82.3 | Confident | 87.2 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 150.3 | 175.6 | 50.5 | 0 | 0 | 0 | 0 | 110.4 | H460 F505 R506 D508 | S458-H460 PolarHBondContact O-N 2.83Å; S458-F505 CarbonylContact O-C 3.44Å; S458-F505 WeakPolarHBondContact O-CA 3.36Å; S458-F505 WeakPolarHBondContact O-CB 3.19Å; S458-R506 PolarHBondContact N-O 2.78Å; S458-R506 PolarHBondContact O-N 3.43Å; S458-D508 WeakPolarHBondContact CB-OD1 3.47Å; S458-D508 WeakPolarHBondContact CB-OD2 3.35Å; S458-D508 PolarHBondContact N-OD1 2.93Å; S458-D508 PolarHBondContact N-OD2 3.41Å; S458-D508 PolarHBondContact OG-OD1 3.28Å |
| 459 | L | 85.9 | Confident | 87 | Confident | 49 Ų | 49 | 46.6 Ų | 46.6 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 123.1 | 168.6 | 177.9 | 73.3 | 0 | 0 | 0 | 108.3 | L453 A484 L489 W503 | L453-L459 HydrophobicContact CD1-CB 4.35Å; L453-L459 HydrophobicContact CD2-CB 4.43Å; L459-A484 HydrophobicContact CD2-CB 3.61Å; L459-L489 HydrophobicContact CD1-CD2 4.21Å; L459-L489 HydrophobicContact CD2-CD2 3.53Å; L459-W503 HydrophobicContact CD1-CB 4Å; L459-W503 HydrophobicContact CD1-CE3 4.39Å |
| 460 | H | 84.2 | Confident | 86.9 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -65.4 | 179.6 | -179 | -97 | 0 | 0 | 0 | 111.4 | S458 S504 R506 Y602 | S458-H460 PolarHBondContact O-N 2.83Å; H460-S504 PolarHBondContact N-O 3.4Å; H460-R506 HydrophobicContact CB-CB 4.31Å; H460-R506 PolarHBondContact CD2-NE 2.89Å; H460-R506 PolarHBondContact CD2-NH2 3.07Å; H460-R506 PolarHBondContact NE2-NH2 3.19Å; H460-Y602 AromaticContact CD2-CD1 3.91Å; H460-Y602 AromaticContact CD2-CG 3.98Å; H460-Y602 AromaticContact CE1-CD1 3.81Å; H460-Y602 AromaticContact CE1-CD2 3.24Å; H460-Y602 WeakPolarHBondContact CE1-CD2 3.32Å; H460-Y602 AromaticContact CE1-CE1 3.9Å; H460-Y602 AromaticContact CE1-CE2 3.32Å; H460-Y602 WeakPolarHBondContact CE1-CE2 3.2Å; H460-Y602 AromaticContact CE1-CG 3.49Å; H460-Y602 VanDerWaalsContact CE1-CG 3.49Å; H460-Y602 AromaticContact CE1-CZ 3.66Å; H460-Y602 AromaticContact CG-CG 3.75Å; H460-Y602 AromaticContact ND1-CD2 3.37Å; H460-Y602 WeakPolarHBondContact ND1-CD2 3.39Å; H460-Y602 AromaticContact ND1-CE2 3.94Å; H460-Y602 AromaticContact ND1-CG 3.45Å; H460-Y602 AromaticContact NE2-CD1 3.65Å; H460-Y602 AromaticContact NE2-CD2 3.94Å; H460-Y602 AromaticContact NE2-CE1 3.65Å; H460-Y602 AromaticContact NE2-CE2 3.93Å; H460-Y602 AromaticContact NE2-CG 3.79Å; H460-Y602 AromaticContact NE2-CZ 3.79Å |
| 461 | D | 88.8 | Confident | 86.9 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 164.4 | 171.7 | -168.2 | 27.2 | 0 | 0 | 0 | 111.3 | K481 S504 L597 | D461-K481 IonicContact OD1-NZ 2.7Å; D461-K481 PolarHBondContact OD1-NZ 2.87Å; D461-K481 IonicContact OD2-NZ 3.21Å; D461-K481 PolarHBondContact OD2-NZ 2.98Å; D461-S504 PolarHBondContact N-OG 3.43Å; D461-S504 PolarHBondContact O-N 3.05Å; D461-S504 PolarHBondContact O-OG 3.15Å; D461-L597 WeakPolarHBondContact O-CD2 3.29Å |
| 462 | F | 92.6 | Very high | 87 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.6 | 178.5 | 80.7 | -74 | 0 | 0 | 0 | 113.1 | K481 G482 A484 L489 A501 L502 W503 | F462-K481 HydrophobicContact CD1-CD 4.4Å; F462-K481 HydrophobicContact CE1-CB 4.48Å; F462-K481 HydrophobicContact CE1-CD 4.22Å; F462-K481 HydrophobicContact CE2-CB 3.8Å; F462-K481 HydrophobicContact CZ-CB 3.79Å; F462-K481 HydrophobicContact CZ-CD 4.33Å; F462-K481 HydrophobicContact CZ-CG 4.44Å; F462-K481 WeakPolarHBondContact O-CD 3.33Å; F462-K481 PolarHBondContact O-NZ 3.07Å; F462-G482 VanDerWaalsContact CZ-O 3.24Å; F462-G482 WeakPolarHBondContact CZ-O 3.36Å; F462-A484 HydrophobicContact CD1-CB 4.32Å; F462-A484 HydrophobicContact CE1-CB 3.84Å; F462-L489 HydrophobicContact CB-CD1 3.92Å; F462-L489 HydrophobicContact CB-CD2 4.18Å; F462-L489 HydrophobicContact CD1-CD2 3.89Å; F462-L489 HydrophobicContact CD2-CB 3.83Å; F462-L489 HydrophobicContact CD2-CD1 3.89Å; F462-L489 HydrophobicContact CD2-CD2 4.07Å; F462-L489 HydrophobicContact CD2-CG 4.14Å; F462-L489 HydrophobicContact CE1-CD2 4.24Å; F462-L489 HydrophobicContact CE2-CB 3.73Å; F462-L489 HydrophobicContact CE2-CD2 4.38Å; F462-L489 HydrophobicContact CE2-CG 4.46Å; F462-L489 HydrophobicContact CG-CB 4.43Å; F462-L489 HydrophobicContact CG-CD1 4.03Å; F462-L489 HydrophobicContact CG-CD2 3.79Å; F462-L489 HydrophobicContact CG-CG 4.3Å; F462-L489 HydrophobicContact CZ-CB 4.28Å; F462-L489 HydrophobicContact CZ-CD2 4.45Å; F462-A501 HydrophobicContact CD2-CB 4.38Å; F462-L502 CarbonylContact C-O 3.53Å; F462-L502 WeakPolarHBondContact CA-O 3.26Å; F462-L502 VanDerWaalsContact CB-O 3.29Å; F462-L502 WeakPolarHBondContact CB-O 3.4Å; F462-W503 HydrophobicContact CB-CB 3.94Å |
| 463 | S | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.6 | 172.2 | 51 | 0 | 0 | 0 | 0 | 112.3 | A501 L502 N594 Q595 L597 | S463-A501 CarbonylContact O-C 3.55Å; S463-A501 VanDerWaalsContact O-CA 3.3Å; S463-A501 WeakPolarHBondContact O-CA 3.27Å; S463-L502 PolarHBondContact N-O 2.81Å; S463-L502 PolarHBondContact O-N 3.02Å; S463-N594 VanDerWaalsContact CA-OD1 3.22Å; S463-N594 WeakPolarHBondContact CA-OD1 3.37Å; S463-N594 WeakPolarHBondContact CB-OD1 3.11Å; S463-Q595 WeakPolarHBondContact CB-O 3.45Å; S463-Q595 PolarHBondContact OG-O 2.88Å; S463-L597 WeakPolarHBondContact OG-CD1 3.34Å |
| 464 | C | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.1 | 178.4 | -65.8 | 0 | 0 | 0 | 0 | 109.5 | C479 K481 R490 C491 N594 | C464-C479 WeakPolarHBondContact O-CB 3.45Å; C464-K481 HydrophobicContact CB-CB 4.38Å; C464-K481 VanDerWaalsContact SG-CA 3.56Å; C464-K481 VanDerWaalsContact SG-CB 3.56Å; C464-R490 PolarHBondContact SG-O 3.1Å; C464-C491 HydrophobicContact CB-CB 3.62Å; C464-C491 WeakPolarHBondContact CB-SG 3.41Å; C464-C491 WeakPolarHBondContact SG-CA 3.29Å; C464-C491 WeakPolarHBondContact SG-CB 3.24Å; C464-C491 CovalentContact SG-SG 2.03Å; C464-C491 PolarHBondContact SG-SG 2.71Å; C464-N594 PolarHBondContact N-OD1 3.12Å; C464-N594 PolarHBondContact O-ND2 3.44Å |
| 465 | V | 96.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 157.8 | -171.7 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | W474 N475 T476 F499 A500 L502 I596 | V465-W474 HydrophobicContact CB-CB 3.98Å; V465-W474 HydrophobicContact CB-CD2 4.4Å; V465-W474 HydrophobicContact CB-CE3 4.06Å; V465-W474 HydrophobicContact CB-CG 4.39Å; V465-W474 HydrophobicContact CG1-CB 4.13Å; V465-W474 HydrophobicContact CG2-CB 4.08Å; V465-W474 HydrophobicContact CG2-CD2 3.67Å; V465-W474 HydrophobicContact CG2-CE3 3.42Å; V465-W474 VanDerWaalsContact CG2-CE3 3.42Å; V465-W474 HydrophobicContact CG2-CG 3.95Å; V465-W474 HydrophobicContact CG2-CZ3 4.14Å; V465-N475 CarbonylContact C-O 3.59Å; V465-N475 VanDerWaalsContact CA-O 3.31Å; V465-N475 WeakPolarHBondContact CA-O 3.33Å; V465-T476 HydrophobicContact CG1-CG2 3.77Å; V465-F499 WeakPolarHBondContact O-CA 3.46Å; V465-A500 HydrophobicContact CG2-CB 4.07Å; V465-A500 WeakPolarHBondContact CG2-O 3.25Å; V465-A500 PolarHBondContact N-O 3.32Å; V465-A500 PolarHBondContact O-N 3.05Å; V465-L502 HydrophobicContact CG1-CD1 3.9Å; V465-L502 HydrophobicContact CG1-CG 4.3Å; V465-L502 HydrophobicContact CG2-CD1 3.94Å; V465-L502 HydrophobicContact CG2-CD2 4.32Å; V465-L502 HydrophobicContact CG2-CG 3.69Å; V465-I596 HydrophobicContact CG1-CG1 4.17Å |
| 466 | F | 95.9 | Very high | 90.2 | Very high | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 157.1 | 163.5 | 76.2 | -82.1 | 0 | 0 | 0 | 111.1 | D468 W474 N475 H477 H495 T497 N498 F499 | F466-D468 HydrophobicContact CE2-CB 4.06Å; F466-D468 HydrophobicContact CZ-CB 4.47Å; F466-D468 PolarHBondContact O-N 2.96Å; F466-W474 WeakPolarHBondContact O-CA 3.32Å; F466-N475 HydrophobicContact CD1-CB 4.13Å; F466-N475 WeakPolarHBondContact CD1-O 3.37Å; F466-N475 HydrophobicContact CE1-CB 3.58Å; F466-N475 HydrophobicContact CE2-CB 4.3Å; F466-N475 HydrophobicContact CZ-CB 3.69Å; F466-N475 WeakPolarHBondContact CZ-ND2 3.1Å; F466-N475 PolarHBondContact N-O 3.28Å; F466-N475 PolarHBondContact O-N 3.44Å; F466-H477 HydrophobicContact CE1-CB 4.17Å; F466-H477 WeakPolarHBondContact CE1-O 2.81Å; F466-H495 AromaticContact CD1-CE1 3.53Å; F466-H495 AromaticContact CD1-NE2 3.61Å; F466-H495 AromaticContact CD2-CE1 3.86Å; F466-H495 AromaticContact CE1-NE2 3.8Å; F466-H495 AromaticContact CG-CE1 3.42Å; F466-H495 VanDerWaalsContact CG-CE1 3.42Å; F466-H495 WeakPolarHBondContact CG-CE1 3.15Å; F466-H495 AromaticContact CG-NE2 3.98Å; F466-T497 VanDerWaalsContact CB-OG1 3.31Å; F466-T497 WeakPolarHBondContact CB-OG1 3.33Å; F466-T497 HydrophobicContact CD2-CG2 4.35Å; F466-N498 CarbonylContact C-O 3.57Å; F466-N498 WeakPolarHBondContact CA-O 3.42Å; F466-F499 HydrophobicContact CB-CD1 3.72Å; F466-F499 HydrophobicContact CB-CE1 3.86Å |
| 467 | W | 94.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.4 | 176.2 | -173.6 | -105.5 | 0 | 0 | 0 | 111.1 | F414 Y469 Q472 W474 N498 | F414-W467 HydrophobicContact CB-CD2 4.29Å; F414-W467 HydrophobicContact CB-CE3 3.87Å; F414-W467 HydrophobicContact CB-CZ3 4Å; F414-W467 HydrophobicContact CD1-CB 3.92Å; F414-W467 AromaticContact CD1-CD2 3.7Å; F414-W467 HydrophobicContact CD1-CD2 3.7Å; F414-W467 HydrophobicContact CD1-CE3 4.08Å; F414-W467 AromaticContact CD1-CG 3.61Å; F414-W467 HydrophobicContact CD1-CG 3.61Å; F414-W467 HydrophobicContact CE1-CB 4.21Å; F414-W467 HydrophobicContact CE1-CG 4.13Å; F414-W467 HydrophobicContact CG-CD2 4.5Å; F414-W467 HydrophobicContact CG-CE3 4.49Å; W467-Y469 AromaticContact CD1-CD1 3.63Å; W467-Y469 AromaticContact CD1-CD2 3.88Å; W467-Y469 AromaticContact CD1-CE1 3.63Å; W467-Y469 AromaticContact CD1-CE2 3.9Å; W467-Y469 AromaticContact CD1-CG 3.77Å; W467-Y469 AromaticContact CD1-CZ 3.78Å; W467-Y469 AromaticContact NE1-CD1 3.59Å; W467-Y469 AromaticContact NE1-CE1 3.78Å; W467-Y469 PolarHBondContact O-N 2.9Å; W467-Q472 VanDerWaalsContact CH2-O 3.25Å; W467-Q472 WeakPolarHBondContact CH2-O 3.45Å; W467-Q472 HydrophobicContact CZ2-CB 4.49Å; W467-W474 HydrophobicContact CB-CE3 4.19Å; W467-W474 HydrophobicContact CB-CH2 4.48Å; W467-W474 HydrophobicContact CB-CZ3 3.83Å; W467-W474 AromaticContact CE3-CD2 3.85Å; W467-W474 HydrophobicContact CE3-CD2 3.85Å; W467-W474 AromaticContact CE3-CE2 3.9Å; W467-W474 AromaticContact CE3-CE3 3.98Å; W467-W474 HydrophobicContact CE3-CE3 3.98Å; W467-W474 HydrophobicContact CE3-CG 4.39Å; W467-W474 HydrophobicContact CE3-CH2 4.19Å; W467-W474 HydrophobicContact CE3-CZ2 4.08Å; W467-W474 HydrophobicContact CE3-CZ3 4.15Å; W467-W474 HydrophobicContact CZ3-CD2 4.34Å; W467-N498 HydrophobicContact CB-CB 4.18Å; W467-N498 PolarHBondContact N-O 2.95Å |
| 468 | D | 93.7 | Very high | 91.8 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 17% | 0.171 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 95.7 | 178.1 | -174.8 | -28.1 | 0 | 0 | 0 | 109.2 | F466 G470 K471 Q472 D473 N475 | F466-D468 HydrophobicContact CE2-CB 4.06Å; F466-D468 HydrophobicContact CZ-CB 4.47Å; F466-D468 PolarHBondContact O-N 2.96Å; D468-G470 PolarHBondContact O-N 2.7Å; D468-G470 VanDerWaalsContact O-N 3.13Å; D468-G470 WeakPolarHBondContact OD1-CA 3.45Å; D468-G470 PolarHBondContact OD1-N 2.73Å; D468-K471 HydrophobicContact CB-CB 4.13Å; D468-K471 HydrophobicContact CB-CD 4.18Å; D468-K471 HydrophobicContact CB-CG 4.29Å; D468-K471 CarbonylContact O-C 3.56Å; D468-K471 PolarHBondContact O-N 3.26Å; D468-K471 PolarHBondContact OD1-N 3.36Å; D468-K471 VanDerWaalsContact OD1-N 3.08Å; D468-K471 WeakPolarHBondContact OD2-CD 3.46Å; D468-K471 WeakPolarHBondContact OD2-CE 3.33Å; D468-K471 WeakPolarHBondContact OD2-CG 3.39Å; D468-K471 IonicContact OD2-NZ 2.66Å; D468-Q472 PolarHBondContact O-N 3.17Å; D468-D473 WeakPolarHBondContact CB-O 3.44Å; D468-D473 PolarHBondContact N-O 2.85Å; D468-N475 HydrophobicContact CB-CB 3.72Å; D468-N475 PolarHBondContact OD2-ND2 3.25Å |
| 469 | Y | 89.8 | Confident | 92.4 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 28% | 0.275 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.3 | 178.1 | -69.4 | -83.3 | 0 | 0 | 0 | 113.4 | T305 L306 W467 N498 | T305-Y469 WeakPolarHBondContact CB-OH 3.42Å; T305-Y469 PolarHBondContact OG1-OH 2.95Å; L306-Y469 HydrophobicContact CD1-CD1 4.36Å; L306-Y469 HydrophobicContact CD1-CE1 4.2Å; L306-Y469 HydrophobicContact CD2-CD1 4.34Å; L306-Y469 HydrophobicContact CD2-CD2 4.21Å; L306-Y469 HydrophobicContact CD2-CE1 3.88Å; L306-Y469 HydrophobicContact CD2-CE2 3.71Å; L306-Y469 HydrophobicContact CD2-CG 4.5Å; L306-Y469 HydrophobicContact CG-CD1 4.33Å; L306-Y469 HydrophobicContact CG-CE1 3.73Å; L306-Y469 HydrophobicContact CG-CE2 4.46Å; W467-Y469 AromaticContact CD1-CD1 3.63Å; W467-Y469 AromaticContact CD1-CD2 3.88Å; W467-Y469 AromaticContact CD1-CE1 3.63Å; W467-Y469 AromaticContact CD1-CE2 3.9Å; W467-Y469 AromaticContact CD1-CG 3.77Å; W467-Y469 AromaticContact CD1-CZ 3.78Å; W467-Y469 AromaticContact NE1-CD1 3.59Å; W467-Y469 AromaticContact NE1-CE1 3.78Å; W467-Y469 PolarHBondContact O-N 2.9Å; Y469-N498 PolarHBondContact OH-ND2 3.18Å |
| 470 | G | 90.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 79% | 0.794 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -29.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | D468 | D468-G470 PolarHBondContact O-N 2.7Å; D468-G470 VanDerWaalsContact O-N 3.13Å; D468-G470 WeakPolarHBondContact OD1-CA 3.45Å; D468-G470 PolarHBondContact OD1-N 2.73Å |
| 471 | K | 90.1 | Very high | 93.2 | Very high | 119 Ų | 119 | 37.4 Ų | 37.4 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -21.3 | 173.1 | -65.5 | 177 | -173.2 | 170 | 0 | 113.8 | D468 D473 N475 | D468-K471 HydrophobicContact CB-CB 4.13Å; D468-K471 HydrophobicContact CB-CD 4.18Å; D468-K471 HydrophobicContact CB-CG 4.29Å; D468-K471 CarbonylContact O-C 3.56Å; D468-K471 PolarHBondContact O-N 3.26Å; D468-K471 PolarHBondContact OD1-N 3.36Å; D468-K471 VanDerWaalsContact OD1-N 3.08Å; D468-K471 WeakPolarHBondContact OD2-CD 3.46Å; D468-K471 WeakPolarHBondContact OD2-CE 3.33Å; D468-K471 WeakPolarHBondContact OD2-CG 3.39Å; D468-K471 IonicContact OD2-NZ 2.66Å; K471-D473 PolarHBondContact O-N 2.82Å; K471-N475 PolarHBondContact NZ-ND2 3.03Å |
| 472 | Q | 89.4 | Confident | 93.3 | Very high | 52 Ų | 52 | 38 Ų | 38 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37.8 | -162.7 | -54.1 | -170.3 | -71.1 | 0 | 0 | 112.9 | N299 W467 D468 | N299-Q472 PolarHBondContact OD1-NE2 2.82Å; W467-Q472 VanDerWaalsContact CH2-O 3.25Å; W467-Q472 WeakPolarHBondContact CH2-O 3.45Å; W467-Q472 HydrophobicContact CZ2-CB 4.49Å; D468-Q472 PolarHBondContact O-N 3.17Å |
| 473 | D | 92.1 | Very high | 93 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 175.3 | 175.7 | -150.5 | -19.3 | 0 | 0 | 0 | 110.9 | S416 R417 T418 D468 K471 | S416-D473 VanDerWaalsContact CA-OD1 3.26Å; S416-D473 WeakPolarHBondContact CA-OD1 3.34Å; S416-D473 WeakPolarHBondContact CB-OD1 3.45Å; S416-D473 PolarHBondContact OG-OD1 2.66Å; R417-D473 PolarHBondContact N-OD2 2.72Å; T418-D473 WeakPolarHBondContact CB-OD2 3.39Å; T418-D473 PolarHBondContact N-OD2 2.79Å; T418-D473 PolarHBondContact OG1-OD2 3.03Å; D468-D473 WeakPolarHBondContact CB-O 3.44Å; D468-D473 PolarHBondContact N-O 2.85Å; K471-D473 PolarHBondContact O-N 2.82Å |
| 474 | W | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 148.4 | 175.1 | -61.7 | 113.9 | 0 | 0 | 0 | 112.7 | F414 V428 V465 F466 W467 A500 L502 I596 | F414-W474 HydrophobicContact CB-CH2 3.8Å; F414-W474 HydrophobicContact CB-CZ2 3.53Å; F414-W474 HydrophobicContact CD1-CH2 4.18Å; F414-W474 HydrophobicContact CG-CH2 4.01Å; F414-W474 HydrophobicContact CG-CZ2 4.25Å; V428-W474 HydrophobicContact CG1-CH2 4.2Å; V428-W474 HydrophobicContact CG2-CH2 4Å; V428-W474 HydrophobicContact CG2-CZ2 4.49Å; V465-W474 HydrophobicContact CB-CB 3.98Å; V465-W474 HydrophobicContact CB-CD2 4.4Å; V465-W474 HydrophobicContact CB-CE3 4.06Å; V465-W474 HydrophobicContact CB-CG 4.39Å; V465-W474 HydrophobicContact CG1-CB 4.13Å; V465-W474 HydrophobicContact CG2-CB 4.08Å; V465-W474 HydrophobicContact CG2-CD2 3.67Å; V465-W474 HydrophobicContact CG2-CE3 3.42Å; V465-W474 VanDerWaalsContact CG2-CE3 3.42Å; V465-W474 HydrophobicContact CG2-CG 3.95Å; V465-W474 HydrophobicContact CG2-CZ3 4.14Å; F466-W474 WeakPolarHBondContact O-CA 3.32Å; W467-W474 HydrophobicContact CB-CE3 4.19Å; W467-W474 HydrophobicContact CB-CH2 4.48Å; W467-W474 HydrophobicContact CB-CZ3 3.83Å; W467-W474 AromaticContact CE3-CD2 3.85Å; W467-W474 HydrophobicContact CE3-CD2 3.85Å; W467-W474 AromaticContact CE3-CE2 3.9Å; W467-W474 AromaticContact CE3-CE3 3.98Å; W467-W474 HydrophobicContact CE3-CE3 3.98Å; W467-W474 HydrophobicContact CE3-CG 4.39Å; W467-W474 HydrophobicContact CE3-CH2 4.19Å; W467-W474 HydrophobicContact CE3-CZ2 4.08Å; W467-W474 HydrophobicContact CE3-CZ3 4.15Å; W467-W474 HydrophobicContact CZ3-CD2 4.34Å; W474-A500 HydrophobicContact CH2-CB 3.77Å; W474-A500 HydrophobicContact CZ2-CB 4.24Å; W474-A500 HydrophobicContact CZ3-CB 3.93Å; W474-L502 HydrophobicContact CB-CD1 4.25Å; W474-L502 HydrophobicContact CG-CD1 4.03Å; W474-I596 HydrophobicContact CB-CD1 4.41Å; W474-I596 WeakPolarHBondContact O-CD1 3.24Å |
| 475 | N | 95.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.4 | 179.5 | -174.1 | -5.3 | 0 | 0 | 0 | 109.9 | V465 F466 D468 K471 H477 | V465-N475 CarbonylContact C-O 3.59Å; V465-N475 VanDerWaalsContact CA-O 3.31Å; V465-N475 WeakPolarHBondContact CA-O 3.33Å; F466-N475 HydrophobicContact CD1-CB 4.13Å; F466-N475 WeakPolarHBondContact CD1-O 3.37Å; F466-N475 HydrophobicContact CE1-CB 3.58Å; F466-N475 HydrophobicContact CE2-CB 4.3Å; F466-N475 HydrophobicContact CZ-CB 3.69Å; F466-N475 WeakPolarHBondContact CZ-ND2 3.1Å; F466-N475 PolarHBondContact N-O 3.28Å; F466-N475 PolarHBondContact O-N 3.44Å; D468-N475 HydrophobicContact CB-CB 3.72Å; D468-N475 PolarHBondContact OD2-ND2 3.25Å; K471-N475 PolarHBondContact NZ-ND2 3.03Å; N475-H477 WeakPolarHBondContact OD1-CB 3.44Å; N475-H477 PolarHBondContact OD1-N 2.86Å |
| 476 | T | 95.7 | Very high | 90.6 | Very high | 37 Ų | 37 | 54 Ų | 54 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | trans | -103.1 | -4 | 179.7 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | V465 G478 C479 N594 I596 | V465-T476 HydrophobicContact CG1-CG2 3.77Å; T476-G478 PolarHBondContact O-N 2.97Å; T476-C479 PolarHBondContact O-N 2.77Å; T476-C479 VanDerWaalsContact O-O 3.1Å; T476-N594 WeakPolarHBondContact CG2-O 3.29Å; T476-I596 HydrophobicContact CG2-CD1 4.24Å; T476-I596 HydrophobicContact CG2-CG1 3.61Å | ||
| 477 | H | 94.7 | Very high | 89.9 | Confident | 137 Ų | 137 | 54.2 Ų | 54.2 | 63% | 0.634 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 125.7 | -177.9 | -179.9 | -81.2 | 0 | 0 | 0 | 112.8 | F466 N475 C479 H495 | F466-H477 HydrophobicContact CE1-CB 4.17Å; F466-H477 WeakPolarHBondContact CE1-O 2.81Å; N475-H477 WeakPolarHBondContact OD1-CB 3.44Å; N475-H477 PolarHBondContact OD1-N 2.86Å; H477-C479 PolarHBondContact O-N 2.83Å; H477-H495 PolarHBondContact O-NE2 2.9Å |
| 478 | G | 92.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 7.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T476 C493 N494 | T476-G478 PolarHBondContact O-N 2.97Å; G478-C493 CarbonylContact O-C 3.48Å; G478-C493 WeakPolarHBondContact O-CA 3.42Å; G478-N494 VanDerWaalsContact CA-OD1 3.29Å; G478-N494 WeakPolarHBondContact CA-OD1 3.35Å; G478-N494 PolarHBondContact O-N 2.64Å; G478-N494 PolarHBondContact O-OD1 2.95Å |
| 479 | C | 95.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.5 | 175.9 | -72.4 | 0 | 0 | 0 | 0 | 111.3 | C464 T476 H477 S492 C493 N594 | C464-C479 WeakPolarHBondContact O-CB 3.45Å; T476-C479 PolarHBondContact O-N 2.77Å; T476-C479 VanDerWaalsContact O-O 3.1Å; H477-C479 PolarHBondContact O-N 2.83Å; C479-S492 CarbonylContact C-O 3.14Å; C479-S492 WeakPolarHBondContact CA-O 3.24Å; C479-C493 HydrophobicContact CB-CB 4.17Å; C479-C493 WeakPolarHBondContact CB-SG 3.44Å; C479-C493 WeakPolarHBondContact SG-CB 3.37Å; C479-C493 CovalentContact SG-SG 2.04Å; C479-C493 PolarHBondContact SG-SG 3.01Å; C479-N594 PolarHBondContact O-ND2 3.44Å |
| 480 | H | 94.3 | Very high | 89.7 | Confident | 123 Ų | 123 | 53.4 Ų | 53.4 | 57% | 0.569 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.3 | -177.7 | -57.5 | -87.9 | 0 | 0 | 0 | 109.4 | C491 S492 | H480-C491 WeakPolarHBondContact O-CA 3.37Å; H480-S492 PolarHBondContact N-O 3.49Å; H480-S492 PolarHBondContact O-N 3.28Å |
| 481 | K | 92.7 | Very high | 89.9 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 147.7 | 171.5 | 72.2 | -179 | -176.2 | -176.5 | 0 | 110.6 | D461 F462 C464 S591 Q593 N594 | D461-K481 IonicContact OD1-NZ 2.7Å; D461-K481 PolarHBondContact OD1-NZ 2.87Å; D461-K481 IonicContact OD2-NZ 3.21Å; D461-K481 PolarHBondContact OD2-NZ 2.98Å; F462-K481 HydrophobicContact CD1-CD 4.4Å; F462-K481 HydrophobicContact CE1-CB 4.48Å; F462-K481 HydrophobicContact CE1-CD 4.22Å; F462-K481 HydrophobicContact CE2-CB 3.8Å; F462-K481 HydrophobicContact CZ-CB 3.79Å; F462-K481 HydrophobicContact CZ-CD 4.33Å; F462-K481 HydrophobicContact CZ-CG 4.44Å; F462-K481 WeakPolarHBondContact O-CD 3.33Å; F462-K481 PolarHBondContact O-NZ 3.07Å; C464-K481 HydrophobicContact CB-CB 4.38Å; C464-K481 VanDerWaalsContact SG-CA 3.56Å; C464-K481 VanDerWaalsContact SG-CB 3.56Å; K481-S591 WeakPolarHBondContact CE-O 3.26Å; K481-S591 PolarHBondContact NZ-O 3Å; K481-Q593 WeakPolarHBondContact CE-O 3.41Å; K481-Q593 PolarHBondContact NZ-O 2.91Å; K481-N594 HydrophobicContact CG-CB 4.41Å |
| 482 | G | 90.1 | Very high | 90.2 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | trans | -115.7 | -162.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F462 A484 R490 | F462-G482 VanDerWaalsContact CZ-O 3.24Å; F462-G482 WeakPolarHBondContact CZ-O 3.36Å; G482-A484 PolarHBondContact O-N 2.65Å; G482-R490 PolarHBondContact N-O 2.81Å | ||
| 483 | N | 85.5 | Confident | 90.4 | Very high | 133 Ų | 133 | 44 Ų | 44 | 71% | 0.711 | 25% | 0.25 | S | C | * | . | trans | -65.6 | 128.3 | -177.4 | -55 | 50.2 | 0 | 0 | 0 | 111.7 | R490 | N483-R490 WeakPolarHBondContact O-CD 3.37Å; N483-R490 WeakPolarHBondContact O-CG 3.26Å; N483-R490 PolarHBondContact O-NH1 3.33Å | ||
| 484 | A | 84.3 | Confident | 90.4 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | trans | -77.9 | 128.3 | 159 | 0 | 0 | 0 | 0 | 0 | 109.5 | L459 F462 G482 V488 L489 | L459-A484 HydrophobicContact CD2-CB 3.61Å; F462-A484 HydrophobicContact CD1-CB 4.32Å; F462-A484 HydrophobicContact CE1-CB 3.84Å; G482-A484 PolarHBondContact O-N 2.65Å; A484-V488 WeakPolarHBondContact CA-O 3.5Å; A484-L489 HydrophobicContact CB-CD2 3.92Å | ||
| 485 | S | 78.7 | Confident | 90.3 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -145.1 | 145.4 | 170 | 80.5 | 0 | 0 | 0 | 0 | 109.7 | G487 V488 R490 | S485-G487 PolarHBondContact O-N 2.92Å; S485-G487 VanDerWaalsContact O-N 3.07Å; S485-V488 PolarHBondContact N-O 3.47Å; S485-V488 VanDerWaalsContact N-O 3.15Å; S485-V488 WeakPolarHBondContact O-CA 3.38Å; S485-V488 WeakPolarHBondContact O-CB 3.16Å; S485-V488 PolarHBondContact O-N 2.98Å; S485-R490 PolarHBondContact OG-NH1 2.95Å; S485-R490 PolarHBondContact OG-NH2 3.02Å |
| 486 | D | 73.9 | Confident | 90.1 | Very high | 133 Ų | 133 | 50.1 Ų | 50.1 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 32 | 169.1 | -36.5 | -67.1 | 0 | 0 | 0 | 114.3 | R450 V488 | R450-D486 PolarHBondContact NH1-O 2.81Å; D486-V488 VanDerWaalsContact C-N 3.28Å; D486-V488 PolarHBondContact O-N 2.03Å |
| 487 | G | 80.9 | Confident | 89.9 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 14.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | R450 V451 S485 | R450-G487 WeakPolarHBondContact CA-O 3.39Å; V451-G487 WeakPolarHBondContact CG2-O 3.28Å; V451-G487 PolarHBondContact N-O 2.69Å; S485-G487 PolarHBondContact O-N 2.92Å; S485-G487 VanDerWaalsContact O-N 3.07Å |
| 488 | V | 88.6 | Confident | 90 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.9 | 177.7 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | Q448 A484 S485 D486 R490 | Q448-V488 HydrophobicContact CB-CG1 3.89Å; Q448-V488 HydrophobicContact CG-CG1 4.42Å; A484-V488 WeakPolarHBondContact CA-O 3.5Å; S485-V488 PolarHBondContact N-O 3.47Å; S485-V488 VanDerWaalsContact N-O 3.15Å; S485-V488 WeakPolarHBondContact O-CA 3.38Å; S485-V488 WeakPolarHBondContact O-CB 3.16Å; S485-V488 PolarHBondContact O-N 2.98Å; D486-V488 VanDerWaalsContact C-N 3.28Å; D486-V488 PolarHBondContact O-N 2.03Å; V488-R490 HydrophobicContact CG1-CG 4.47Å |
| 489 | L | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.8 | 171.7 | -52 | -175.5 | 0 | 0 | 0 | 109.2 | Q448 F449 V451 L459 F462 A484 A501 W503 | Q448-L489 WeakPolarHBondContact CA-O 3.14Å; F449-L489 HydrophobicContact CB-CB 4.49Å; F449-L489 PolarHBondContact N-O 3.03Å; F449-L489 PolarHBondContact O-N 3Å; V451-L489 HydrophobicContact CG1-CD1 3.54Å; V451-L489 HydrophobicContact CG1-CG 3.93Å; L459-L489 HydrophobicContact CD1-CD2 4.21Å; L459-L489 HydrophobicContact CD2-CD2 3.53Å; F462-L489 HydrophobicContact CB-CD1 3.92Å; F462-L489 HydrophobicContact CB-CD2 4.18Å; F462-L489 HydrophobicContact CD1-CD2 3.89Å; F462-L489 HydrophobicContact CD2-CB 3.83Å; F462-L489 HydrophobicContact CD2-CD1 3.89Å; F462-L489 HydrophobicContact CD2-CD2 4.07Å; F462-L489 HydrophobicContact CD2-CG 4.14Å; F462-L489 HydrophobicContact CE1-CD2 4.24Å; F462-L489 HydrophobicContact CE2-CB 3.73Å; F462-L489 HydrophobicContact CE2-CD2 4.38Å; F462-L489 HydrophobicContact CE2-CG 4.46Å; F462-L489 HydrophobicContact CG-CB 4.43Å; F462-L489 HydrophobicContact CG-CD1 4.03Å; F462-L489 HydrophobicContact CG-CD2 3.79Å; F462-L489 HydrophobicContact CG-CG 4.3Å; F462-L489 HydrophobicContact CZ-CB 4.28Å; F462-L489 HydrophobicContact CZ-CD2 4.45Å; A484-L489 HydrophobicContact CB-CD2 3.92Å; L489-A501 HydrophobicContact CB-CB 4.14Å; L489-A501 HydrophobicContact CD1-CB 3.73Å; L489-W503 HydrophobicContact CD1-CB 3.86Å; L489-W503 HydrophobicContact CD1-CG 4.26Å |
| 490 | R | 93.2 | Very high | 90.2 | Very high | 76 Ų | 76 | 43 Ų | 43 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.5 | -178.2 | -62 | -177.8 | -179.3 | 84.7 | -3 | 110.7 | Q448 C464 G482 N483 S485 V488 | Q448-R490 HydrophobicContact CG-CG 4.36Å; C464-R490 PolarHBondContact SG-O 3.1Å; G482-R490 PolarHBondContact N-O 2.81Å; N483-R490 WeakPolarHBondContact O-CD 3.37Å; N483-R490 WeakPolarHBondContact O-CG 3.26Å; N483-R490 PolarHBondContact O-NH1 3.33Å; S485-R490 PolarHBondContact OG-NH1 2.95Å; S485-R490 PolarHBondContact OG-NH2 3.02Å; V488-R490 HydrophobicContact CG1-CG 4.47Å |
| 491 | C | 94.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 5% | 0.054 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.5 | -177.3 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | E446 M447 C464 H480 | E446-C491 WeakPolarHBondContact CA-O 3.19Å; M447-C491 HydrophobicContact CB-CB 4.32Å; M447-C491 HydrophobicContact CE-CB 3.65Å; M447-C491 PolarHBondContact N-O 3.02Å; M447-C491 PolarHBondContact O-N 2.92Å; M447-C491 HydrophobicContact SD-CB 4.15Å; C464-C491 HydrophobicContact CB-CB 3.62Å; C464-C491 WeakPolarHBondContact CB-SG 3.41Å; C464-C491 WeakPolarHBondContact SG-CA 3.29Å; C464-C491 WeakPolarHBondContact SG-CB 3.24Å; C464-C491 CovalentContact SG-SG 2.03Å; C464-C491 PolarHBondContact SG-SG 2.71Å; H480-C491 WeakPolarHBondContact O-CA 3.37Å |
| 492 | S | 94.6 | Very high | 90.3 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 131.6 | 170 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V445 C479 H480 | V445-S492 CarbonylContact O-C 3.5Å; V445-S492 WeakPolarHBondContact O-CA 3.15Å; C479-S492 CarbonylContact C-O 3.14Å; C479-S492 WeakPolarHBondContact CA-O 3.24Å; H480-S492 PolarHBondContact N-O 3.49Å; H480-S492 PolarHBondContact O-N 3.28Å |
| 493 | C | 94.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 155.5 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | V445 G478 C479 F499 | V445-C493 PolarHBondContact N-O 2.76Å; V445-C493 PolarHBondContact O-N 2.86Å; G478-C493 CarbonylContact O-C 3.48Å; G478-C493 WeakPolarHBondContact O-CA 3.42Å; C479-C493 HydrophobicContact CB-CB 4.17Å; C479-C493 WeakPolarHBondContact CB-SG 3.44Å; C479-C493 WeakPolarHBondContact SG-CB 3.37Å; C479-C493 CovalentContact SG-SG 2.04Å; C479-C493 PolarHBondContact SG-SG 3.01Å; C493-F499 HydrophobicContact CB-CD1 4.43Å; C493-F499 HydrophobicContact CB-CE1 3.65Å; C493-F499 HydrophobicContact CB-CZ 4.11Å; C493-F499 WeakPolarHBondContact SG-CE1 2.99Å |
| 494 | N | 92.4 | Very high | 90.5 | Very high | 93 Ų | 93 | 28.3 Ų | 28.3 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -102 | 22 | -179.2 | 73.8 | -13.4 | 0 | 0 | 0 | 114.5 | G478 | G478-N494 VanDerWaalsContact CA-OD1 3.29Å; G478-N494 WeakPolarHBondContact CA-OD1 3.35Å; G478-N494 PolarHBondContact O-N 2.64Å; G478-N494 PolarHBondContact O-OD1 2.95Å |
| 495 | H | 91.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -150.3 | 179.7 | 179.7 | 56.8 | 77.9 | 0 | 0 | 0 | 110.4 | V445 F466 H477 T497 F499 | V445-H495 VanDerWaalsContact CG2-O 3.24Å; V445-H495 WeakPolarHBondContact CG2-O 3.4Å; F466-H495 AromaticContact CD1-CE1 3.53Å; F466-H495 AromaticContact CD1-NE2 3.61Å; F466-H495 AromaticContact CD2-CE1 3.86Å; F466-H495 AromaticContact CE1-NE2 3.8Å; F466-H495 AromaticContact CG-CE1 3.42Å; F466-H495 VanDerWaalsContact CG-CE1 3.42Å; F466-H495 WeakPolarHBondContact CG-CE1 3.15Å; F466-H495 AromaticContact CG-NE2 3.98Å; H477-H495 PolarHBondContact O-NE2 2.9Å; H495-T497 PolarHBondContact CE1-OG1 3.48Å; H495-T497 VanDerWaalsContact CE1-OG1 3.29Å; H495-T497 PolarHBondContact ND1-OG1 2.8Å; H495-T497 VanDerWaalsContact ND1-OG1 3.13Å; H495-F499 AromaticContact CE1-CE1 3.55Å; H495-F499 AromaticContact ND1-CE1 3.73Å; H495-F499 AromaticContact ND1-CZ 3.72Å; H495-F499 WeakPolarHBondContact O-CZ 3.43Å |
| 496 | T | 91 | Very high | 90.5 | Very high | 38 Ų | 38 | 28.8 Ų | 28.8 | 23% | 0.233 | 15% | 0.154 | C | C | . | . | trans | -127.6 | 109.7 | -179.3 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | A431 I433 A442 V445 | A431-T496 CarbonylContact O-C 3.59Å; A431-T496 VanDerWaalsContact O-C 3.27Å; A431-T496 WeakPolarHBondContact O-CB 3.08Å; I433-T496 HydrophobicContact CD1-CG2 3.83Å; I433-T496 HydrophobicContact CG1-CG2 4Å; A442-T496 HydrophobicContact CB-CG2 3.98Å; V445-T496 HydrophobicContact CG2-CG2 3.83Å | ||
| 497 | T | 92.9 | Very high | 90.3 | Very high | 38 Ų | 38 | 25 Ų | 25 | 23% | 0.233 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -150.6 | -164.1 | -175.5 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | S430 A431 F466 H495 F499 | S430-T497 WeakPolarHBondContact CA-O 3.22Å; A431-T497 PolarHBondContact N-O 3.38Å; A431-T497 VanDerWaalsContact N-O 3.14Å; A431-T497 PolarHBondContact O-N 2.97Å; F466-T497 VanDerWaalsContact CB-OG1 3.31Å; F466-T497 WeakPolarHBondContact CB-OG1 3.33Å; F466-T497 HydrophobicContact CD2-CG2 4.35Å; H495-T497 PolarHBondContact CE1-OG1 3.48Å; H495-T497 VanDerWaalsContact CE1-OG1 3.29Å; H495-T497 PolarHBondContact ND1-OG1 2.8Å; H495-T497 VanDerWaalsContact ND1-OG1 3.13Å; T497-F499 WeakPolarHBondContact O-CD2 3.33Å; T497-F499 WeakPolarHBondContact O-CE2 3.27Å; T497-F499 WeakPolarHBondContact OG1-CE1 3.28Å; T497-F499 WeakPolarHBondContact OG1-CZ 3.36Å |
| 498 | N | 95.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.4 | 173.1 | -73 | -108.3 | 0 | 0 | 0 | 109.8 | D309 Y408 F414 V428 S430 F466 W467 Y469 | D309-N498 PolarHBondContact OD2-ND2 2.94Å; Y408-N498 WeakPolarHBondContact CE2-OD1 3.29Å; F414-N498 HydrophobicContact CE1-CB 3.76Å; F414-N498 HydrophobicContact CZ-CB 4.13Å; F414-N498 WeakPolarHBondContact CZ-OD1 3.17Å; V428-N498 HydrophobicContact CG1-CB 4.14Å; S430-N498 WeakPolarHBondContact CB-OD1 3.26Å; S430-N498 PolarHBondContact OG-ND2 2.84Å; F466-N498 CarbonylContact C-O 3.57Å; F466-N498 WeakPolarHBondContact CA-O 3.42Å; W467-N498 HydrophobicContact CB-CB 4.18Å; W467-N498 PolarHBondContact N-O 2.95Å; Y469-N498 PolarHBondContact OH-ND2 3.18Å |
| 499 | F | 96.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 152.3 | -172.3 | -57.6 | -78.9 | 0 | 0 | 0 | 114.7 | V428 L429 V445 M447 F449 V465 F466 C493 H495 T497 | V428-F499 CarbonylContact C-O 3.55Å; V428-F499 VanDerWaalsContact CA-O 3.31Å; V428-F499 WeakPolarHBondContact CA-O 3.01Å; V428-F499 VanDerWaalsContact CG1-O 3.29Å; V428-F499 WeakPolarHBondContact CG1-O 3.46Å; L429-F499 PolarHBondContact N-O 3.13Å; L429-F499 WeakPolarHBondContact O-CB 3.47Å; L429-F499 WeakPolarHBondContact O-CD2 3.14Å; L429-F499 PolarHBondContact O-N 3.22Å; V445-F499 HydrophobicContact CG1-CE2 4.28Å; M447-F499 HydrophobicContact CE-CB 3.48Å; M447-F499 VanDerWaalsContact CE-CB 3.48Å; M447-F499 HydrophobicContact CE-CD1 3.7Å; M447-F499 HydrophobicContact CE-CD2 4.19Å; M447-F499 HydrophobicContact CE-CE1 4.47Å; M447-F499 HydrophobicContact CE-CG 3.53Å; M447-F499 HydrophobicContact SD-CG 4.39Å; F449-F499 HydrophobicContact CZ-CB 4.44Å; V465-F499 WeakPolarHBondContact O-CA 3.46Å; F466-F499 HydrophobicContact CB-CD1 3.72Å; F466-F499 HydrophobicContact CB-CE1 3.86Å; C493-F499 HydrophobicContact CB-CD1 4.43Å; C493-F499 HydrophobicContact CB-CE1 3.65Å; C493-F499 HydrophobicContact CB-CZ 4.11Å; C493-F499 WeakPolarHBondContact SG-CE1 2.99Å; H495-F499 AromaticContact CE1-CE1 3.55Å; H495-F499 AromaticContact ND1-CE1 3.73Å; H495-F499 AromaticContact ND1-CZ 3.72Å; H495-F499 WeakPolarHBondContact O-CZ 3.43Å; T497-F499 WeakPolarHBondContact O-CD2 3.33Å; T497-F499 WeakPolarHBondContact O-CE2 3.27Å; T497-F499 WeakPolarHBondContact OG1-CE1 3.28Å; T497-F499 WeakPolarHBondContact OG1-CZ 3.36Å |
| 500 | A | 95.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 162.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V428 V465 W474 | V428-A500 HydrophobicContact CG2-CB 4.44Å; V465-A500 HydrophobicContact CG2-CB 4.07Å; V465-A500 WeakPolarHBondContact CG2-O 3.25Å; V465-A500 PolarHBondContact N-O 3.32Å; V465-A500 PolarHBondContact O-N 3.05Å; W474-A500 HydrophobicContact CH2-CB 3.77Å; W474-A500 HydrophobicContact CZ2-CB 4.24Å; W474-A500 HydrophobicContact CZ3-CB 3.93Å |
| 501 | A | 94.8 | Very high | 83.6 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 111 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109 | L426 F449 F462 S463 L489 | L426-A501 WeakPolarHBondContact CD2-O 3.04Å; F449-A501 HydrophobicContact CB-CB 4.2Å; F449-A501 HydrophobicContact CD2-CB 3.58Å; F449-A501 HydrophobicContact CE2-CB 4.13Å; F449-A501 HydrophobicContact CG-CB 4Å; F462-A501 HydrophobicContact CD2-CB 4.38Å; S463-A501 CarbonylContact O-C 3.55Å; S463-A501 VanDerWaalsContact O-CA 3.3Å; S463-A501 WeakPolarHBondContact O-CA 3.27Å; L489-A501 HydrophobicContact CB-CB 4.14Å; L489-A501 HydrophobicContact CD1-CB 3.73Å |
| 502 | L | 93.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.3 | 175.1 | -57.7 | 178.5 | 0 | 0 | 0 | 108.5 | Y419 L426 F462 S463 V465 W474 I596 | Y419-L502 HydrophobicContact CD1-CD2 4.1Å; Y419-L502 HydrophobicContact CD2-CB 3.93Å; Y419-L502 HydrophobicContact CD2-CD1 3.93Å; Y419-L502 HydrophobicContact CD2-CD2 4.32Å; Y419-L502 HydrophobicContact CD2-CG 4.28Å; Y419-L502 HydrophobicContact CE1-CD2 4.19Å; Y419-L502 HydrophobicContact CE2-CB 3.73Å; Y419-L502 HydrophobicContact CE2-CD2 4.38Å; Y419-L502 HydrophobicContact CE2-CG 4.43Å; Y419-L502 HydrophobicContact CG-CD1 4.01Å; Y419-L502 HydrophobicContact CG-CD2 4.15Å; Y419-L502 HydrophobicContact CG-CG 4.47Å; L426-L502 HydrophobicContact CD1-CD2 3.71Å; L426-L502 HydrophobicContact CD2-CD2 4.46Å; F462-L502 CarbonylContact C-O 3.53Å; F462-L502 WeakPolarHBondContact CA-O 3.26Å; F462-L502 VanDerWaalsContact CB-O 3.29Å; F462-L502 WeakPolarHBondContact CB-O 3.4Å; S463-L502 PolarHBondContact N-O 2.81Å; S463-L502 PolarHBondContact O-N 3.02Å; V465-L502 HydrophobicContact CG1-CD1 3.9Å; V465-L502 HydrophobicContact CG1-CG 4.3Å; V465-L502 HydrophobicContact CG2-CD1 3.94Å; V465-L502 HydrophobicContact CG2-CD2 4.32Å; V465-L502 HydrophobicContact CG2-CG 3.69Å; W474-L502 HydrophobicContact CB-CD1 4.25Å; W474-L502 HydrophobicContact CG-CD1 4.03Å; L502-I596 HydrophobicContact CD1-CG2 4.07Å |
| 503 | W | 91.3 | Very high | 78.7 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.7 | -172.2 | 60.4 | -86.7 | 0 | 0 | 0 | 112.3 | Y419 A424 S425 L426 V451 L453 L459 F462 L489 F505 D600 | Y419-W503 PolarHBondContact OH-O 3.25Å; A424-W503 HydrophobicContact CB-CD2 4.38Å; A424-W503 HydrophobicContact CB-CH2 4.02Å; A424-W503 HydrophobicContact CB-CZ2 3.57Å; S425-W503 PolarHBondContact O-NE1 2.85Å; L426-W503 VanDerWaalsContact CD2-CD1 3.43Å; V451-W503 HydrophobicContact CB-CD2 4.35Å; V451-W503 HydrophobicContact CB-CZ2 4.32Å; V451-W503 HydrophobicContact CG1-CD2 3.89Å; V451-W503 HydrophobicContact CG1-CG 3.77Å; V451-W503 HydrophobicContact CG1-CZ2 4.4Å; L453-W503 HydrophobicContact CD2-CE3 4.43Å; L453-W503 HydrophobicContact CD2-CZ3 3.85Å; L459-W503 HydrophobicContact CD1-CB 4Å; L459-W503 HydrophobicContact CD1-CE3 4.39Å; F462-W503 HydrophobicContact CB-CB 3.94Å; L489-W503 HydrophobicContact CD1-CB 3.86Å; L489-W503 HydrophobicContact CD1-CG 4.26Å; W503-F505 HydrophobicContact CZ3-CB 4.15Å; W503-F505 AromaticContact CZ3-CD1 3.85Å; W503-F505 HydrophobicContact CZ3-CD1 3.85Å; W503-F505 HydrophobicContact CZ3-CG 4.44Å; W503-D600 WeakPolarHBondContact O-CA 3.27Å |
| 504 | S | 88.3 | Confident | 75.9 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.7 | 175 | 60 | 0 | 0 | 0 | 0 | 111.2 | H460 D461 L597 D600 | H460-S504 PolarHBondContact N-O 3.4Å; D461-S504 PolarHBondContact N-OG 3.43Å; D461-S504 PolarHBondContact O-N 3.05Å; D461-S504 PolarHBondContact O-OG 3.15Å; S504-L597 VanDerWaalsContact CB-CD2 3.45Å; S504-L597 WeakPolarHBondContact OG-CD2 3.38Å; S504-D600 WeakPolarHBondContact CA-O 3.37Å |
| 505 | F | 85.7 | Confident | 73.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 155.8 | 170.5 | 65.7 | -88.1 | 0 | 0 | 0 | 112.1 | L453 T457 S458 W503 E507 D600 Q601 Y602 | L453-F505 HydrophobicContact CD2-CB 3.97Å; T457-F505 HydrophobicContact CG2-CD2 3.61Å; T457-F505 HydrophobicContact CG2-CE2 4.04Å; T457-F505 HydrophobicContact CG2-CG 4.46Å; S458-F505 CarbonylContact O-C 3.44Å; S458-F505 WeakPolarHBondContact O-CA 3.36Å; S458-F505 WeakPolarHBondContact O-CB 3.19Å; W503-F505 HydrophobicContact CZ3-CB 4.15Å; W503-F505 AromaticContact CZ3-CD1 3.85Å; W503-F505 HydrophobicContact CZ3-CD1 3.85Å; W503-F505 HydrophobicContact CZ3-CG 4.44Å; F505-E507 HydrophobicContact CD2-CG 4.37Å; F505-E507 HydrophobicContact CE2-CG 4.13Å; F505-D600 WeakPolarHBondContact CD1-O 3.44Å; F505-D600 VanDerWaalsContact CE1-O 3.27Å; F505-D600 WeakPolarHBondContact CE1-O 3.29Å; F505-D600 PolarHBondContact N-O 2.76Å; F505-D600 VanDerWaalsContact N-O 3.15Å; F505-Q601 HydrophobicContact CE1-CB 4.39Å; F505-Q601 HydrophobicContact CE2-CG 4.16Å; F505-Q601 HydrophobicContact CZ-CB 4.16Å; F505-Q601 HydrophobicContact CZ-CG 4.09Å; F505-Y602 PolarHBondContact O-N 3.24Å |
| 506 | R | 78.6 | Confident | 71.9 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.1 | 166.5 | -175.8 | -178.3 | -69.8 | -115.1 | 1.4 | 107.7 | T457 S458 H460 Y602 E604 | T457-R506 CarbonylContact C-O 3.58Å; T457-R506 WeakPolarHBondContact CA-O 3.45Å; T457-R506 WeakPolarHBondContact CB-O 3.47Å; S458-R506 PolarHBondContact N-O 2.78Å; S458-R506 PolarHBondContact O-N 3.43Å; H460-R506 HydrophobicContact CB-CB 4.31Å; H460-R506 PolarHBondContact CD2-NE 2.89Å; H460-R506 PolarHBondContact CD2-NH2 3.07Å; H460-R506 PolarHBondContact NE2-NH2 3.19Å; R506-Y602 VanDerWaalsContact NH2-CE1 3.27Å; R506-E604 IonicContact CZ-OE1 2.74Å; R506-E604 IonicContact CZ-OE2 3.17Å; R506-E604 IonicContact NH1-OE1 2.61Å; R506-E604 PolarHBondContact NH1-OE1 3.23Å; R506-E604 IonicContact NH1-OE2 3.22Å; R506-E604 PolarHBondContact NH1-OE2 3.2Å; R506-E604 IonicContact NH2-OE1 2.64Å; R506-E604 PolarHBondContact NH2-OE1 2.95Å; R506-E604 IonicContact NH2-OE2 3.69Å |
| 507 | E | 70.1 | Confident | 70.2 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.8 | 175.3 | -75.3 | 166.4 | -147 | 0 | 0 | 109 | R423 T457 F505 Y509 Q601 | R423-E507 IonicContact NH1-OE1 2.76Å; T457-E507 HydrophobicContact CG2-CG 3.87Å; F505-E507 HydrophobicContact CD2-CG 4.37Å; F505-E507 HydrophobicContact CE2-CG 4.13Å; E507-Y509 HydrophobicContact CB-CE1 4Å; E507-Y509 HydrophobicContact CB-CE2 4.04Å; E507-Y509 VanDerWaalsContact O-CD2 3.26Å; E507-Y509 WeakPolarHBondContact O-CD2 3.37Å; E507-Y509 VanDerWaalsContact O-CE2 3.3Å; E507-Y509 WeakPolarHBondContact O-CE2 3.44Å; E507-Q601 PolarHBondContact OE1-NE2 3.13Å |
| 508 | D | 62.4 | Low | 68.3 | Low | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | trans | -96.7 | 112.9 | -173.3 | -59.9 | -34 | 0 | 0 | 0 | 109.8 | N456 T457 S458 | N456-D508 PolarHBondContact O-N 3.42Å; T457-D508 WeakPolarHBondContact CA-OD2 3.35Å; T457-D508 PolarHBondContact N-OD2 3.44Å; S458-D508 WeakPolarHBondContact CB-OD1 3.47Å; S458-D508 WeakPolarHBondContact CB-OD2 3.35Å; S458-D508 PolarHBondContact N-OD1 2.93Å; S458-D508 PolarHBondContact N-OD2 3.41Å; S458-D508 PolarHBondContact OG-OD1 3.28Å | ||
| 509 | Y | 55.3 | Low | 66.6 | Low | 101 Ų | 101 | 60.2 Ų | 60.2 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -108.5 | 99.4 | -170.4 | -54.3 | -74.2 | 0 | 0 | 0 | 112.1 | E507 Y511 E686 | E507-Y509 HydrophobicContact CB-CE1 4Å; E507-Y509 HydrophobicContact CB-CE2 4.04Å; E507-Y509 VanDerWaalsContact O-CD2 3.26Å; E507-Y509 WeakPolarHBondContact O-CD2 3.37Å; E507-Y509 VanDerWaalsContact O-CE2 3.3Å; E507-Y509 WeakPolarHBondContact O-CE2 3.44Å; Y509-Y511 PolarHBondContact O-N 2.94Å; Y509-E686 HydrophobicContact CD1-CG 3.35Å; Y509-E686 VanDerWaalsContact CD1-OE1 3.31Å; Y509-E686 WeakPolarHBondContact CD1-OE1 3.21Å; Y509-E686 HydrophobicContact CD2-CG 3.72Å; Y509-E686 HydrophobicContact CE1-CG 3.5Å; Y509-E686 HydrophobicContact CE2-CG 3.87Å; Y509-E686 HydrophobicContact CG-CG 3.44Å; Y509-E686 VanDerWaalsContact CG-CG 3.44Å | ||
| 510 | E | 44.8 | Very low | 65.3 | Low | 194 Ų | 194 | 65 Ų | 65 | 91% | 0.907 | 34% | 0.341 | S | S | * | . | trans | -75.1 | 115.7 | 172.7 | -69.3 | -165.3 | 147.5 | 0 | 0 | 111.5 | ||||
| 511 | Y | 50.7 | Low | 64.2 | Low | 99 Ų | 99 | 68.8 Ų | 68.8 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | trans | -87.3 | 135.5 | 177.2 | -178.2 | -93.3 | 0 | 0 | 0 | 112.4 | V7 Y509 E513 F687 | V7-Y511 HydrophobicContact CG1-CE2 4.21Å; V7-Y511 HydrophobicContact CG2-CE2 3.96Å; Y509-Y511 PolarHBondContact O-N 2.94Å; Y511-E513 VanDerWaalsContact C-N 3.32Å; Y511-E513 PolarHBondContact O-N 3.44Å; Y511-F687 AromaticContact CD2-CE1 3.95Å; Y511-F687 HydrophobicContact CD2-CE1 3.95Å; Y511-F687 HydrophobicContact CD2-CZ 4.2Å; Y511-F687 AromaticContact CE2-CE1 3.89Å; Y511-F687 HydrophobicContact CE2-CE1 3.89Å; Y511-F687 HydrophobicContact CE2-CZ 4.39Å | ||
| 512 | A | 44.5 | Very low | 63 | Low | 56 Ų | 56 | 69.3 Ų | 69.3 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | trans | -73 | 78.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A514 L515 | A512-A514 PolarHBondContact O-N 3.23Å; A512-L515 PolarHBondContact O-N 3.03Å; A512-L515 VanDerWaalsContact O-N 3.14Å | ||
| 513 | E | 43 | Very low | 62.1 | Low | 169 Ų | 169 | 69.5 Ų | 69.5 | 79% | 0.79 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -43.7 | -41.8 | -176.1 | -169.7 | -172.3 | 177.9 | 0 | 0 | 114 | Y511 L515 G516 | Y511-E513 VanDerWaalsContact C-N 3.32Å; Y511-E513 PolarHBondContact O-N 3.44Å; E513-L515 PolarHBondContact O-N 3.09Å; E513-G516 PolarHBondContact O-N 3.41Å |
| 514 | A | 35.5 | Very low | 61.6 | Low | 89 Ų | 89 | 72.2 Ų | 72.2 | 74% | 0.736 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -54.1 | -20.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A512 | A512-A514 PolarHBondContact O-N 3.23Š|
| 515 | L | 46.7 | Very low | 61.2 | Low | 57 Ų | 57 | 77.9 Ų | 77.9 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -89.7 | -12.2 | -179.9 | -134.9 | 72.9 | 0 | 0 | 0 | 114.8 | C6 V7 A512 E513 S519 | C6-L515 HydrophobicContact CB-CD2 3.35Å; V7-L515 HydrophobicContact CG2-CD2 4.12Å; A512-L515 PolarHBondContact O-N 3.03Å; A512-L515 VanDerWaalsContact O-N 3.14Å; E513-L515 PolarHBondContact O-N 3.09Å; L515-S519 PolarHBondContact O-OG 3.31Å |
| 516 | G | 52.6 | Low | 61.1 | Low | 18 Ų | 18 | 78 Ų | 78 | 19% | 0.186 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.4 | -55.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | E513 L518 S519 I520 | E513-G516 PolarHBondContact O-N 3.41Å; G516-L518 PolarHBondContact O-N 3.43Å; G516-S519 PolarHBondContact O-N 2.86Å; G516-S519 VanDerWaalsContact O-N 3.1Å; G516-S519 PolarHBondContact O-OG 2.93Å; G516-I520 WeakPolarHBondContact O-CG1 3.13Å; G516-I520 PolarHBondContact O-N 3.16Å |
| 517 | V | 54.5 | Low | 61.5 | Low | 111 Ų | 111 | 76 Ų | 76 | 67% | 0.673 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.9 | -45.7 | -170 | -177.6 | 0 | 0 | 0 | 0 | 113 | S519 | V517-S519 VanDerWaalsContact C-N 3.31Å; V517-S519 PolarHBondContact O-N 3.35Å |
| 518 | L | 54 | Low | 62.3 | Low | 133 Ų | 133 | 78 Ų | 78 | 70% | 0.696 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | 178.6 | -71.8 | 171.7 | 0 | 0 | 0 | 111.6 | G516 V521 G522 | G516-L518 PolarHBondContact O-N 3.43Å; L518-V521 PolarHBondContact O-N 3.23Å; L518-G522 PolarHBondContact O-N 3.22Å; L518-G522 VanDerWaalsContact O-N 3.16Å |
| 519 | S | 60.2 | Low | 63.4 | Low | 12 Ų | 12 | 74.8 Ų | 74.8 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -72.3 | -33 | -174.8 | 74.4 | 0 | 0 | 0 | 0 | 114.2 | E2 L515 G516 V517 V521 L523 | E2-S519 VanDerWaalsContact OE2-CA 3.31Å; E2-S519 WeakPolarHBondContact OE2-CA 3.47Å; L515-S519 PolarHBondContact O-OG 3.31Å; G516-S519 PolarHBondContact O-N 2.86Å; G516-S519 VanDerWaalsContact O-N 3.1Å; G516-S519 PolarHBondContact O-OG 2.93Å; V517-S519 VanDerWaalsContact C-N 3.31Å; V517-S519 PolarHBondContact O-N 3.35Å; S519-V521 VanDerWaalsContact C-N 3.33Å; S519-V521 PolarHBondContact O-N 2.85Å; S519-L523 WeakPolarHBondContact O-CB 3.39Å; S519-L523 VanDerWaalsContact O-CG 3.24Å; S519-L523 WeakPolarHBondContact O-CG 3.45Å; S519-L523 PolarHBondContact O-N 3.32Å |
| 520 | I | 69 | Low | 64.8 | Low | 102 Ų | 102 | 70 Ų | 70 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177.2 | -66.6 | 164.7 | 0 | 0 | 0 | 110.3 | G516 S524 | G516-I520 WeakPolarHBondContact O-CG1 3.13Å; G516-I520 PolarHBondContact O-N 3.16Å; I520-S524 VanDerWaalsContact O-CB 3.31Å; I520-S524 WeakPolarHBondContact O-CB 3.23Å; I520-S524 PolarHBondContact O-N 2.84Å; I520-S524 VanDerWaalsContact O-N 3.12Å; I520-S524 PolarHBondContact O-OG 3.32Å |
| 521 | V | 72.1 | Confident | 66.9 | Low | 79 Ų | 79 | 63.3 Ų | 63.3 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71 | -45.1 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | L518 S519 S524 F525 | L518-V521 PolarHBondContact O-N 3.23Å; S519-V521 VanDerWaalsContact C-N 3.33Å; S519-V521 PolarHBondContact O-N 2.85Å; V521-S524 PolarHBondContact O-N 3.06Å; V521-F525 HydrophobicContact CG1-CD2 4.09Å; V521-F525 HydrophobicContact CG1-CE2 3.75Å; V521-F525 VanDerWaalsContact O-CD2 3.28Å; V521-F525 WeakPolarHBondContact O-CD2 3.45Å; V521-F525 PolarHBondContact O-N 3.01Å |
| 522 | G | 69.8 | Low | 68.6 | Low | 16 Ų | 16 | 61.5 Ų | 61.5 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.5 | -54.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L518 S524 F525 S526 | L518-G522 PolarHBondContact O-N 3.22Å; L518-G522 VanDerWaalsContact O-N 3.16Å; G522-S524 VanDerWaalsContact C-N 3.31Å; G522-S524 PolarHBondContact O-N 3.09Å; G522-F525 PolarHBondContact O-N 2.94Å; G522-S526 PolarHBondContact O-N 3.3Å; G522-S526 VanDerWaalsContact O-N 3.09Å |
| 523 | L | 74.1 | Confident | 70.5 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 179.6 | -66.1 | 175 | 0 | 0 | 0 | 112.5 | E2 S519 F525 S526 I527 I570 F573 L574 | E2-L523 HydrophobicContact CG-CD2 4.12Å; E2-L523 HydrophobicContact CG-CG 4.33Å; E2-L523 VanDerWaalsContact OE1-CD2 3.26Å; E2-L523 WeakPolarHBondContact OE1-CD2 3.16Å; E2-L523 VanDerWaalsContact OE1-CG 3.28Å; E2-L523 WeakPolarHBondContact OE1-CG 3.3Å; E2-L523 PolarHBondContact OE1-N 2.69Å; S519-L523 WeakPolarHBondContact O-CB 3.39Å; S519-L523 VanDerWaalsContact O-CG 3.24Å; S519-L523 WeakPolarHBondContact O-CG 3.45Å; S519-L523 PolarHBondContact O-N 3.32Å; L523-F525 PolarHBondContact O-N 2.82Å; L523-S526 WeakPolarHBondContact O-CB 3.15Å; L523-S526 PolarHBondContact O-N 3.28Å; L523-I527 VanDerWaalsContact O-CG1 3.25Å; L523-I527 WeakPolarHBondContact O-CG1 3.4Å; L523-I527 PolarHBondContact O-N 3.06Å; L523-I570 HydrophobicContact CB-CG2 4.44Å; L523-I570 HydrophobicContact CD2-CG1 4.34Å; L523-I570 HydrophobicContact CD2-CG2 4.07Å; L523-F573 HydrophobicContact CD1-CD1 3.81Å; L523-F573 HydrophobicContact CD1-CE1 3.58Å; L523-L574 HydrophobicContact CD1-CD2 3.92Å |
| 524 | S | 81 | Confident | 72.6 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 178.2 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | I520 V521 G522 S526 L528 | I520-S524 VanDerWaalsContact O-CB 3.31Å; I520-S524 WeakPolarHBondContact O-CB 3.23Å; I520-S524 PolarHBondContact O-N 2.84Å; I520-S524 VanDerWaalsContact O-N 3.12Å; I520-S524 PolarHBondContact O-OG 3.32Å; V521-S524 PolarHBondContact O-N 3.06Å; G522-S524 VanDerWaalsContact C-N 3.31Å; G522-S524 PolarHBondContact O-N 3.09Å; S524-S526 VanDerWaalsContact C-N 3.35Å; S524-L528 PolarHBondContact O-N 3.33Å; S524-L528 VanDerWaalsContact O-N 3.14Å |
| 525 | F | 81.3 | Confident | 74.9 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 175.1 | -72 | -65 | 0 | 0 | 0 | 112.5 | V521 G522 L523 L528 G529 | V521-F525 HydrophobicContact CG1-CD2 4.09Å; V521-F525 HydrophobicContact CG1-CE2 3.75Å; V521-F525 VanDerWaalsContact O-CD2 3.28Å; V521-F525 WeakPolarHBondContact O-CD2 3.45Å; V521-F525 PolarHBondContact O-N 3.01Å; G522-F525 PolarHBondContact O-N 2.94Å; L523-F525 PolarHBondContact O-N 2.82Å; F525-L528 PolarHBondContact O-N 3.05Å; F525-G529 PolarHBondContact O-N 2.03Å |
| 526 | S | 83.9 | Confident | 76.6 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -47.3 | 176.8 | -149.6 | 0 | 0 | 0 | 0 | 111.7 | G522 L523 S524 G529 L530 T790 G793 | G522-S526 PolarHBondContact O-N 3.3Å; G522-S526 VanDerWaalsContact O-N 3.09Å; L523-S526 WeakPolarHBondContact O-CB 3.15Å; L523-S526 PolarHBondContact O-N 3.28Å; S524-S526 VanDerWaalsContact C-N 3.35Å; S526-G529 PolarHBondContact O-N 3.3Å; S526-L530 WeakPolarHBondContact O-CG 3.25Å; S526-L530 PolarHBondContact O-N 3.3Å; S526-T790 PolarHBondContact OG-O 3.44Å; S526-G793 WeakPolarHBondContact OG-CA 3.28Å; S526-G793 PolarHBondContact OG-N 3.41Å |
| 527 | I | 86 | Confident | 77.9 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 173.9 | -69 | 162.1 | 0 | 0 | 0 | 110.6 | L523 G529 L530 V531 L567 I570 L574 | L523-I527 VanDerWaalsContact O-CG1 3.25Å; L523-I527 WeakPolarHBondContact O-CG1 3.4Å; L523-I527 PolarHBondContact O-N 3.06Å; I527-G529 VanDerWaalsContact C-N 3.34Å; I527-G529 PolarHBondContact O-N 2.94Å; I527-L530 PolarHBondContact O-N 2.88Å; I527-V531 HydrophobicContact CG2-CG2 4.24Å; I527-V531 WeakPolarHBondContact O-CG2 3.49Å; I527-V531 PolarHBondContact O-N 3.46Å; I527-L567 HydrophobicContact CB-CD1 4.46Å; I527-L567 HydrophobicContact CG1-CD1 4.32Å; I527-L567 HydrophobicContact CG2-CD1 4.02Å; I527-I570 HydrophobicContact CD1-CG2 3.75Å; I527-I570 HydrophobicContact CG1-CG2 3.64Å; I527-L574 HydrophobicContact CD1-CD1 3.87Å |
| 528 | L | 87.9 | Confident | 79.2 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | -178.5 | -177.7 | 60.4 | 0 | 0 | 0 | 112 | S524 F525 I532 | S524-L528 PolarHBondContact O-N 3.33Å; S524-L528 VanDerWaalsContact O-N 3.14Å; F525-L528 PolarHBondContact O-N 3.05Å; L528-I532 HydrophobicContact CD1-CD1 3.93Å; L528-I532 HydrophobicContact CD1-CG1 4.39Å; L528-I532 HydrophobicContact CG-CD1 4Å; L528-I532 WeakPolarHBondContact O-CD1 3.45Å; L528-I532 VanDerWaalsContact O-CG1 3.27Å; L528-I532 WeakPolarHBondContact O-CG1 3.49Å; L528-I532 PolarHBondContact O-N 3.37Å; L528-I532 VanDerWaalsContact O-N 3.09Å |
| 529 | G | 84.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F525 S526 I527 T533 | F525-G529 PolarHBondContact O-N 2.03Å; S526-G529 PolarHBondContact O-N 3.3Å; I527-G529 VanDerWaalsContact C-N 3.34Å; I527-G529 PolarHBondContact O-N 2.94Å; G529-T533 WeakPolarHBondContact O-CB 3.21Å; G529-T533 PolarHBondContact O-N 3.04Å; G529-T533 PolarHBondContact O-OG1 2.75Å |
| 530 | L | 85.7 | Confident | 81 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 177.6 | -70.6 | 170.3 | 0 | 0 | 0 | 112 | S526 I527 I532 T533 I534 C563 L566 L567 I570 | S526-L530 WeakPolarHBondContact O-CG 3.25Å; S526-L530 PolarHBondContact O-N 3.3Å; I527-L530 PolarHBondContact O-N 2.88Å; L530-I532 PolarHBondContact O-N 2.96Å; L530-T533 WeakPolarHBondContact O-CB 3.35Å; L530-T533 PolarHBondContact O-N 3.06Å; L530-I534 WeakPolarHBondContact O-CD1 3.24Å; L530-I534 VanDerWaalsContact O-CG1 3.3Å; L530-I534 WeakPolarHBondContact O-CG1 3.34Å; L530-I534 PolarHBondContact O-N 3.47Å; L530-C563 HydrophobicContact CD2-CB 4.19Å; L530-L566 HydrophobicContact CD1-CB 4.42Å; L530-L566 HydrophobicContact CD1-CD2 3.98Å; L530-L566 HydrophobicContact CD1-CG 3.87Å; L530-L566 HydrophobicContact CD2-CD2 4.19Å; L530-L567 HydrophobicContact CD1-CB 4.43Å; L530-I570 HydrophobicContact CD1-CD1 3.97Å |
| 531 | V | 88.6 | Confident | 81.1 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 177.6 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | I527 T533 I534 I535 L567 | I527-V531 HydrophobicContact CG2-CG2 4.24Å; I527-V531 WeakPolarHBondContact O-CG2 3.49Å; I527-V531 PolarHBondContact O-N 3.46Å; V531-T533 VanDerWaalsContact C-N 3.31Å; V531-T533 PolarHBondContact O-N 3.06Å; V531-I534 PolarHBondContact O-N 3.49Å; V531-I535 HydrophobicContact CG1-CD1 3.74Å; V531-I535 WeakPolarHBondContact O-CB 3.4Å; V531-I535 VanDerWaalsContact O-CG1 3.28Å; V531-I535 WeakPolarHBondContact O-CG1 3.34Å; V531-I535 PolarHBondContact O-N 3.44Å; V531-L567 HydrophobicContact CG2-CD1 4.33Å; V531-L567 HydrophobicContact CG2-CD2 3.96Å |
| 532 | I | 85.8 | Confident | 81 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.8 | -64 | 166.3 | 0 | 0 | 0 | 111.1 | L528 L530 H536 F797 F807 | L528-I532 HydrophobicContact CD1-CD1 3.93Å; L528-I532 HydrophobicContact CD1-CG1 4.39Å; L528-I532 HydrophobicContact CG-CD1 4Å; L528-I532 WeakPolarHBondContact O-CD1 3.45Å; L528-I532 VanDerWaalsContact O-CG1 3.27Å; L528-I532 WeakPolarHBondContact O-CG1 3.49Å; L528-I532 PolarHBondContact O-N 3.37Å; L528-I532 VanDerWaalsContact O-N 3.09Å; L530-I532 PolarHBondContact O-N 2.96Å; I532-H536 WeakPolarHBondContact O-CB 3.26Å; I532-H536 PolarHBondContact O-N 2.96Å; I532-F797 HydrophobicContact CB-CD2 4.34Å; I532-F797 HydrophobicContact CB-CE2 4.13Å; I532-F797 HydrophobicContact CG2-CD2 4.14Å; I532-F797 HydrophobicContact CG2-CE2 3.52Å; I532-F797 HydrophobicContact CG2-CZ 4.28Å; I532-F807 HydrophobicContact CG2-CE2 3.97Å; I532-F807 HydrophobicContact CG2-CZ 4.27Å |
| 533 | T | 84.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 176 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | G529 L530 V531 H536 H537 F797 T801 | G529-T533 WeakPolarHBondContact O-CB 3.21Å; G529-T533 PolarHBondContact O-N 3.04Å; G529-T533 PolarHBondContact O-OG1 2.75Å; L530-T533 WeakPolarHBondContact O-CB 3.35Å; L530-T533 PolarHBondContact O-N 3.06Å; V531-T533 VanDerWaalsContact C-N 3.31Å; V531-T533 PolarHBondContact O-N 3.06Å; T533-H536 PolarHBondContact O-N 2.94Å; T533-H537 PolarHBondContact O-CD2 3.36Å; T533-H537 PolarHBondContact O-N 3.22Å; T533-F797 WeakPolarHBondContact OG1-CA 3.35Å; T533-T801 WeakPolarHBondContact CB-OG1 3.32Å; T533-T801 VanDerWaalsContact CG2-OG1 3.3Å; T533-T801 WeakPolarHBondContact CG2-OG1 3.27Å; T533-T801 PolarHBondContact OG1-OG1 2.83Å |
| 534 | I | 86.1 | Confident | 80.3 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 177.1 | -69.8 | 159.7 | 0 | 0 | 0 | 110.2 | L530 V531 H536 H537 L538 L560 C563 L564 L567 | L530-I534 WeakPolarHBondContact O-CD1 3.24Å; L530-I534 VanDerWaalsContact O-CG1 3.3Å; L530-I534 WeakPolarHBondContact O-CG1 3.34Å; L530-I534 PolarHBondContact O-N 3.47Å; V531-I534 PolarHBondContact O-N 3.49Å; I534-H536 VanDerWaalsContact C-N 3.3Å; I534-H536 PolarHBondContact O-N 3.46Å; I534-H537 PolarHBondContact O-N 2.87Å; I534-L538 HydrophobicContact CG2-CD1 3.8Å; I534-L538 HydrophobicContact CG2-CG 4.36Å; I534-L538 WeakPolarHBondContact O-CB 2.98Å; I534-L538 VanDerWaalsContact O-CG 3.3Å; I534-L538 WeakPolarHBondContact O-CG 3.03Å; I534-L538 PolarHBondContact O-N 3.41Å; I534-L560 HydrophobicContact CB-CD1 4.44Å; I534-L560 HydrophobicContact CG1-CD1 4.22Å; I534-L560 HydrophobicContact CG2-CD1 4.17Å; I534-C563 HydrophobicContact CD1-CB 4.11Å; I534-C563 HydrophobicContact CG1-CB 3.77Å; I534-L564 HydrophobicContact CD1-CD2 4.01Å; I534-L564 HydrophobicContact CD1-CG 4.48Å; I534-L564 HydrophobicContact CG1-CD2 4.46Å; I534-L564 HydrophobicContact CG2-CD2 4.35Å; I534-L567 HydrophobicContact CD1-CB 4.46Å; I534-L567 HydrophobicContact CD1-CD2 3.66Å |
| 535 | I | 84.7 | Confident | 79.1 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.9 | -68.4 | 168.1 | 0 | 0 | 0 | 111.1 | V531 N539 | V531-I535 HydrophobicContact CG1-CD1 3.74Å; V531-I535 WeakPolarHBondContact O-CB 3.4Å; V531-I535 VanDerWaalsContact O-CG1 3.28Å; V531-I535 WeakPolarHBondContact O-CG1 3.34Å; V531-I535 PolarHBondContact O-N 3.44Å; I535-N539 WeakPolarHBondContact CG2-ND2 3.38Å; I535-N539 WeakPolarHBondContact O-CB 3.37Å; I535-N539 PolarHBondContact O-N 2.66Å; I535-N539 PolarHBondContact O-ND2 2.83Å |
| 536 | H | 82.7 | Confident | 77.8 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 177.6 | -177.5 | 57.5 | 0 | 0 | 0 | 112.3 | I532 T533 I534 L538 N539 E540 T801 F807 | I532-H536 WeakPolarHBondContact O-CB 3.26Å; I532-H536 PolarHBondContact O-N 2.96Å; T533-H536 PolarHBondContact O-N 2.94Å; I534-H536 VanDerWaalsContact C-N 3.3Å; I534-H536 PolarHBondContact O-N 3.46Å; H536-L538 PolarHBondContact O-N 3.32Å; H536-N539 PolarHBondContact O-N 2.99Å; H536-E540 IonicContact CE1-OE1 3.82Å; H536-E540 IonicContact NE2-OE1 3.63Å; H536-E540 PolarHBondContact O-N 2.72Å; H536-T801 HydrophobicContact CB-CG2 4.04Å; H536-F807 HydrophobicContact CB-CD2 4.45Å; H536-F807 AromaticContact CG-CD2 3.95Å; H536-F807 AromaticContact ND1-CD2 3.93Å |
| 537 | H | 78.8 | Confident | 76.1 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 179.6 | -73.4 | -35.6 | 0 | 0 | 0 | 113.1 | T533 I534 T541 L560 | T533-H537 PolarHBondContact O-CD2 3.36Å; T533-H537 PolarHBondContact O-N 3.22Å; I534-H537 PolarHBondContact O-N 2.87Å; H537-T541 VanDerWaalsContact O-CB 3.28Å; H537-T541 WeakPolarHBondContact O-CB 3.26Å; H537-T541 PolarHBondContact O-N 2.96Å; H537-T541 PolarHBondContact O-OG1 2.6Å; H537-L560 HydrophobicContact CB-CD1 4.49Å |
| 538 | L | 81.7 | Confident | 74.4 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 171.9 | -70.5 | 173.3 | 0 | 0 | 0 | 111 | I534 H536 E540 T541 F542 L560 | I534-L538 HydrophobicContact CG2-CD1 3.8Å; I534-L538 HydrophobicContact CG2-CG 4.36Å; I534-L538 WeakPolarHBondContact O-CB 2.98Å; I534-L538 VanDerWaalsContact O-CG 3.3Å; I534-L538 WeakPolarHBondContact O-CG 3.03Å; I534-L538 PolarHBondContact O-N 3.41Å; H536-L538 PolarHBondContact O-N 3.32Å; L538-E540 PolarHBondContact O-N 2.98Å; L538-T541 WeakPolarHBondContact O-CA 3.24Å; L538-T541 WeakPolarHBondContact O-CB 3.44Å; L538-T541 PolarHBondContact O-N 3.17Å; L538-F542 HydrophobicContact CB-CE2 4.49Å; L538-F542 WeakPolarHBondContact O-CD2 3.42Å; L538-F542 PolarHBondContact O-N 3.47Å; L538-L560 HydrophobicContact CD2-CD2 4.13Å |
| 539 | N | 78.5 | Confident | 72.7 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.2 | -83.9 | -64.7 | 0 | 0 | 0 | 113.2 | I535 H536 T541 F542 Q543 | I535-N539 WeakPolarHBondContact CG2-ND2 3.38Å; I535-N539 WeakPolarHBondContact O-CB 3.37Å; I535-N539 PolarHBondContact O-N 2.66Å; I535-N539 PolarHBondContact O-ND2 2.83Å; H536-N539 PolarHBondContact O-N 2.99Å; N539-T541 VanDerWaalsContact C-N 3.28Å; N539-T541 PolarHBondContact O-N 2.03Å; N539-F542 PolarHBondContact O-N 3Å; N539-Q543 WeakPolarHBondContact O-CG 3.28Å; N539-Q543 PolarHBondContact O-N 3.15Å |
| 540 | E | 74.1 | Confident | 71.1 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 171.9 | -72.8 | -160.8 | 145.8 | 0 | 0 | 112.1 | H536 L538 Q543 M544 K556 S806 | H536-E540 IonicContact CE1-OE1 3.82Å; H536-E540 IonicContact NE2-OE1 3.63Å; H536-E540 PolarHBondContact O-N 2.72Å; L538-E540 PolarHBondContact O-N 2.98Å; E540-Q543 PolarHBondContact O-N 3.41Å; E540-M544 VanDerWaalsContact O-CG 3.3Å; E540-M544 WeakPolarHBondContact O-CG 3.43Å; E540-K556 IonicContact OE2-NZ 2.9Å; E540-K556 PolarHBondContact OE2-NZ 2.89Å; E540-S806 WeakPolarHBondContact OE1-CB 3.22Å; E540-S806 PolarHBondContact OE1-OG 2.8Å |
| 541 | T | 70.4 | Confident | 69.4 | Low | 36 Ų | 36 | 85.2 Ų | 85.2 | 22% | 0.221 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 179.7 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | H537 L538 N539 K549 L553 | H537-T541 VanDerWaalsContact O-CB 3.28Å; H537-T541 WeakPolarHBondContact O-CB 3.26Å; H537-T541 PolarHBondContact O-N 2.96Å; H537-T541 PolarHBondContact O-OG1 2.6Å; L538-T541 WeakPolarHBondContact O-CA 3.24Å; L538-T541 WeakPolarHBondContact O-CB 3.44Å; L538-T541 PolarHBondContact O-N 3.17Å; N539-T541 VanDerWaalsContact C-N 3.28Å; N539-T541 PolarHBondContact O-N 2.03Å; T541-K549 WeakPolarHBondContact O-CE 3.38Å; T541-L553 HydrophobicContact CG2-CD1 3.92Å |
| 542 | F | 70.4 | Confident | 67.8 | Low | 155 Ų | 155 | 84 Ų | 84 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.6 | -33.3 | 174.8 | -76.6 | -67.9 | 0 | 0 | 0 | 113.2 | L538 N539 M544 | L538-F542 HydrophobicContact CB-CE2 4.49Å; L538-F542 WeakPolarHBondContact O-CD2 3.42Å; L538-F542 PolarHBondContact O-N 3.47Å; N539-F542 PolarHBondContact O-N 3Å; F542-M544 VanDerWaalsContact C-N 3.34Å; F542-M544 PolarHBondContact O-N 2.99Å |
| 543 | Q | 67.9 | Low | 66.5 | Low | 161 Ų | 161 | 83.2 Ų | 83.2 | 75% | 0.752 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -82.5 | -1.6 | -175.8 | -67.4 | 176.5 | 35.3 | 0 | 0 | 114.9 | N539 E540 | N539-Q543 WeakPolarHBondContact O-CG 3.28Å; N539-Q543 PolarHBondContact O-N 3.15Å; E540-Q543 PolarHBondContact O-N 3.41Å |
| 544 | M | 61.9 | Low | 65.2 | Low | 55 Ų | 55 | 85 Ų | 85 | 27% | 0.271 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -81.4 | 126.7 | -178.4 | -75.5 | -79.4 | -171.2 | 0 | 0 | 113.7 | E540 F542 Q548 K549 | E540-M544 VanDerWaalsContact O-CG 3.3Å; E540-M544 WeakPolarHBondContact O-CG 3.43Å; F542-M544 VanDerWaalsContact C-N 3.34Å; F542-M544 PolarHBondContact O-N 2.99Å; M544-Q548 HydrophobicContact SD-CB 4.44Å; M544-Q548 HydrophobicContact SD-CG 3.94Å; M544-K549 HydrophobicContact CB-CB 3.98Å; M544-K549 HydrophobicContact CB-CG 4.02Å |
| 545 | K | 56 | Low | 64.1 | Low | 182 Ų | 182 | 86.3 Ų | 86.3 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | trans | -60.9 | 138.6 | 170.4 | -71.4 | -174 | 176.9 | -177.3 | 0 | 111.4 | R547 Q548 K549 | K545-R547 PolarHBondContact O-N 3.48Å; K545-R547 VanDerWaalsContact O-N 3.11Å; K545-Q548 WeakPolarHBondContact O-CA 3.2Å; K545-Q548 WeakPolarHBondContact O-CB 3.34Å; K545-Q548 PolarHBondContact O-N 2.74Å; K545-K549 PolarHBondContact O-N 3.38Å | ||
| 546 | S | 54.5 | Low | 63.5 | Low | 104 Ų | 104 | 84.8 Ų | 84.8 | 73% | 0.727 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -40.3 | -52.8 | -170.7 | -177.3 | 0 | 0 | 0 | 0 | 116 | Q548 K549 | S546-Q548 PolarHBondContact O-N 2.77Å; S546-K549 VanDerWaalsContact O-CB 3.24Å; S546-K549 WeakPolarHBondContact O-CB 3.44Å; S546-K549 PolarHBondContact O-N 2.89Å |
| 547 | R | 46.5 | Very low | 63.2 | Low | 242 Ų | 242 | 85.3 Ų | 85.3 | 91% | 0.913 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.3 | -29.3 | -179.8 | -114.4 | -179.3 | 177.6 | -174.3 | -0.8 | 114.6 | K545 | K545-R547 PolarHBondContact O-N 3.48Å; K545-R547 VanDerWaalsContact O-N 3.11Å |
| 548 | Q | 52 | Low | 63.3 | Low | 135 Ų | 135 | 84.9 Ų | 84.9 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -78.6 | -30.7 | 174.5 | -162.6 | 85.3 | -0.9 | 0 | 0 | 111.3 | M544 K545 S546 S552 | M544-Q548 HydrophobicContact SD-CB 4.44Å; M544-Q548 HydrophobicContact SD-CG 3.94Å; K545-Q548 WeakPolarHBondContact O-CA 3.2Å; K545-Q548 WeakPolarHBondContact O-CB 3.34Å; K545-Q548 PolarHBondContact O-N 2.74Å; S546-Q548 PolarHBondContact O-N 2.77Å; Q548-S552 PolarHBondContact O-N 3.39Å; Q548-S552 PolarHBondContact O-OG 3.16Å |
| 549 | K | 51.4 | Low | 63.3 | Low | 71 Ų | 71 | 82.1 Ų | 82.1 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.1 | -55.6 | -178.1 | -162.2 | 170.2 | -176.3 | 173.5 | 0 | 110.5 | T541 M544 K545 S546 T551 S552 L553 | T541-K549 WeakPolarHBondContact O-CE 3.38Å; M544-K549 HydrophobicContact CB-CB 3.98Å; M544-K549 HydrophobicContact CB-CG 4.02Å; K545-K549 PolarHBondContact O-N 3.38Å; S546-K549 VanDerWaalsContact O-CB 3.24Å; S546-K549 WeakPolarHBondContact O-CB 3.44Å; S546-K549 PolarHBondContact O-N 2.89Å; K549-T551 PolarHBondContact O-N 3.46Å; K549-S552 PolarHBondContact O-N 3.18Å; K549-S552 PolarHBondContact O-OG 3.3Å; K549-L553 HydrophobicContact CB-CD1 4.48Å; K549-L553 HydrophobicContact CG-CD1 3.49Å; K549-L553 VanDerWaalsContact CG-CD1 3.49Å; K549-L553 HydrophobicContact CG-CD2 4.32Å; K549-L553 WeakPolarHBondContact O-CB 3.39Å; K549-L553 WeakPolarHBondContact O-CD1 3.25Å; K549-L553 PolarHBondContact O-N 3.46Å |
| 550 | Q | 51.3 | Low | 63.6 | Low | 126 Ų | 126 | 79.9 Ų | 79.9 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -54.9 | -48.7 | -172.5 | -162.7 | 68.1 | 4.5 | 0 | 0 | 114.1 | N554 | Q550-N554 PolarHBondContact O-ND2 3.08Å |
| 551 | T | 49.6 | Very low | 64.3 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.4 | -28.1 | -176.1 | -38.6 | 0 | 0 | 0 | 0 | 112.8 | K549 | K549-T551 PolarHBondContact O-N 3.46Å |
| 552 | S | 55.2 | Low | 65 | Low | 29 Ų | 29 | 76.7 Ų | 76.7 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -91 | -25.8 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | Q548 K549 S555 K556 | Q548-S552 PolarHBondContact O-N 3.39Å; Q548-S552 PolarHBondContact O-OG 3.16Å; K549-S552 PolarHBondContact O-N 3.18Å; K549-S552 PolarHBondContact O-OG 3.3Å; S552-S555 PolarHBondContact O-N 3.07Å; S552-K556 PolarHBondContact O-N 3.3Å |
| 553 | L | 57.3 | Low | 65.9 | Low | 43 Ų | 43 | 69.3 Ų | 69.3 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -54.9 | 172.8 | -110.9 | 61.9 | 0 | 0 | 0 | 111 | T541 K549 S555 K556 T557 | T541-L553 HydrophobicContact CG2-CD1 3.92Å; K549-L553 HydrophobicContact CB-CD1 4.48Å; K549-L553 HydrophobicContact CG-CD1 3.49Å; K549-L553 VanDerWaalsContact CG-CD1 3.49Å; K549-L553 HydrophobicContact CG-CD2 4.32Å; K549-L553 WeakPolarHBondContact O-CB 3.39Å; K549-L553 WeakPolarHBondContact O-CD1 3.25Å; K549-L553 PolarHBondContact O-N 3.46Å; L553-S555 PolarHBondContact O-N 3.1Å; L553-K556 PolarHBondContact O-N 2.86Å; L553-T557 PolarHBondContact O-N 2.96Å; L553-T557 PolarHBondContact O-OG1 3.32Å; L553-T557 VanDerWaalsContact O-OG1 3.05Å |
| 554 | N | 58.2 | Low | 66.9 | Low | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.4 | -27.7 | -173.6 | -67.9 | -24 | 0 | 0 | 0 | 113.7 | Q550 T651 | Q550-N554 PolarHBondContact O-ND2 3.08Å; N554-T651 PolarHBondContact OD1-OG1 3.31Å |
| 555 | S | 62.8 | Low | 68.3 | Low | 44 Ų | 44 | 62.7 Ų | 62.7 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -86.1 | -21.3 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 114 | S552 L553 Q634 | S552-S555 PolarHBondContact O-N 3.07Å; L553-S555 PolarHBondContact O-N 3.1Å; S555-Q634 PolarHBondContact O-NE2 3.11Å; S555-Q634 PolarHBondContact OG-NE2 3.3Å |
| 556 | K | 71.8 | Confident | 69.7 | Low | 59 Ų | 59 | 54.2 Ų | 54.2 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -98.5 | -26.6 | -178.7 | -69.1 | -173.7 | 178.3 | -177.1 | 0 | 113.3 | E540 S552 L553 S558 L559 L560 | E540-K556 IonicContact OE2-NZ 2.9Å; E540-K556 PolarHBondContact OE2-NZ 2.89Å; S552-K556 PolarHBondContact O-N 3.3Å; L553-K556 PolarHBondContact O-N 2.86Å; K556-S558 PolarHBondContact O-N 2.75Å; K556-L559 PolarHBondContact O-N 3.22Å; K556-L560 PolarHBondContact O-N 3.38Å; K556-L560 VanDerWaalsContact O-N 3.1Å |
| 557 | T | 78.1 | Confident | 71.3 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.4 | -47.9 | -179.2 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | L553 L559 L560 C561 W655 | L553-T557 PolarHBondContact O-N 2.96Å; L553-T557 PolarHBondContact O-OG1 3.32Å; L553-T557 VanDerWaalsContact O-OG1 3.05Å; T557-L559 VanDerWaalsContact C-N 3.32Å; T557-L559 PolarHBondContact O-N 2.87Å; T557-L560 WeakPolarHBondContact O-CB 3.01Å; T557-L560 PolarHBondContact O-N 3.23Å; T557-L560 VanDerWaalsContact O-N 3.13Å; T557-C561 PolarHBondContact O-N 3.44Å; T557-C561 PolarHBondContact O-SG 2.83Å; T557-C561 VanDerWaalsContact O-SG 3.36Å; T557-W655 HydrophobicContact CG2-CZ2 4.21Å |
| 558 | S | 80.5 | Confident | 73.3 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -41.9 | -179.3 | -44.9 | 0 | 0 | 0 | 0 | 112.6 | K556 C561 I562 Q634 | K556-S558 PolarHBondContact O-N 2.75Å; S558-C561 PolarHBondContact O-N 3.43Å; S558-I562 WeakPolarHBondContact O-CG1 3.4Å; S558-I562 PolarHBondContact O-N 2.71Å; S558-Q634 PolarHBondContact OG-OE1 3.48Å |
| 559 | L | 80.5 | Confident | 75 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -37.2 | 177.8 | -176.2 | 64.1 | 0 | 0 | 0 | 112.3 | K556 T557 I562 C563 Y631 F800 | K556-L559 PolarHBondContact O-N 3.22Å; T557-L559 VanDerWaalsContact C-N 3.32Å; T557-L559 PolarHBondContact O-N 2.87Å; L559-I562 PolarHBondContact O-N 2.88Å; L559-C563 PolarHBondContact O-N 3.35Å; L559-C563 VanDerWaalsContact O-N 3.09Å; L559-C563 PolarHBondContact O-SG 3.33Å; L559-Y631 HydrophobicContact CB-CD2 4.37Å; L559-Y631 HydrophobicContact CB-CE2 4.18Å; L559-F800 HydrophobicContact CD2-CB 4.01Å; L559-F800 HydrophobicContact CD2-CD1 4.09Å; L559-F800 HydrophobicContact CD2-CG 4.15Å |
| 560 | L | 85.2 | Confident | 76.4 | Confident | 30 Ų | 30 | 30.6 Ų | 30.6 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 173.3 | -179 | 62.2 | 0 | 0 | 0 | 111.2 | I534 H537 L538 K556 T557 C563 L564 | I534-L560 HydrophobicContact CB-CD1 4.44Å; I534-L560 HydrophobicContact CG1-CD1 4.22Å; I534-L560 HydrophobicContact CG2-CD1 4.17Å; H537-L560 HydrophobicContact CB-CD1 4.49Å; L538-L560 HydrophobicContact CD2-CD2 4.13Å; K556-L560 PolarHBondContact O-N 3.38Å; K556-L560 VanDerWaalsContact O-N 3.1Å; T557-L560 WeakPolarHBondContact O-CB 3.01Å; T557-L560 PolarHBondContact O-N 3.23Å; T557-L560 VanDerWaalsContact O-N 3.13Å; L560-C563 PolarHBondContact O-N 3.5Å; L560-L564 HydrophobicContact CD1-CD1 4.28Å; L560-L564 HydrophobicContact CD1-CG 4.41Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 WeakPolarHBondContact O-CB 3.3Å; L560-L564 VanDerWaalsContact O-CG 3.3Å; L560-L564 WeakPolarHBondContact O-CG 3.26Å; L560-L564 PolarHBondContact O-N 3.01Å |
| 561 | C | 88.3 | Confident | 77.9 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.8 | -67 | 0 | 0 | 0 | 0 | 112.5 | T557 S558 C563 L564 S565 W627 | T557-C561 PolarHBondContact O-N 3.44Å; T557-C561 PolarHBondContact O-SG 2.83Å; T557-C561 VanDerWaalsContact O-SG 3.36Å; S558-C561 PolarHBondContact O-N 3.43Å; C561-C563 VanDerWaalsContact C-N 3.34Å; C561-C563 PolarHBondContact O-N 3.35Å; C561-L564 PolarHBondContact O-N 2.89Å; C561-S565 PolarHBondContact O-N 3.18Å; C561-S565 PolarHBondContact O-OG 2.64Å; C561-W627 HydrophobicContact CB-CD2 3.43Å; C561-W627 VanDerWaalsContact CB-CD2 3.43Å; C561-W627 HydrophobicContact CB-CE3 3.76Å; C561-W627 HydrophobicContact CB-CG 3.8Å; C561-W627 HydrophobicContact CB-CH2 4.28Å; C561-W627 HydrophobicContact CB-CZ2 4Å; C561-W627 HydrophobicContact CB-CZ3 4.17Å |
| 562 | I | 86.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.6 | -48.4 | 171.6 | -66.2 | 164.3 | 0 | 0 | 0 | 110.8 | S558 L559 L564 S565 L566 W627 N628 Y631 | S558-I562 WeakPolarHBondContact O-CG1 3.4Å; S558-I562 PolarHBondContact O-N 2.71Å; L559-I562 PolarHBondContact O-N 2.88Å; I562-L564 VanDerWaalsContact C-N 3.33Å; I562-L564 PolarHBondContact O-N 3.39Å; I562-S565 PolarHBondContact O-OG 3.06Å; I562-L566 WeakPolarHBondContact O-CB 3.38Å; I562-L566 PolarHBondContact O-N 3.02Å; I562-W627 HydrophobicContact CG1-CB 3.71Å; I562-N628 VanDerWaalsContact CD1-OD1 3.26Å; I562-N628 WeakPolarHBondContact CD1-OD1 3.42Å; I562-N628 WeakPolarHBondContact CG1-OD1 3.27Å; I562-N628 VanDerWaalsContact CG2-OD1 3.25Å; I562-N628 WeakPolarHBondContact CG2-OD1 3.44Å; I562-Y631 HydrophobicContact CD1-CG 4.07Å |
| 563 | C | 87.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -178.5 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | L530 I534 L559 L560 C561 L567 | L530-C563 HydrophobicContact CD2-CB 4.19Å; I534-C563 HydrophobicContact CD1-CB 4.11Å; I534-C563 HydrophobicContact CG1-CB 3.77Å; L559-C563 PolarHBondContact O-N 3.35Å; L559-C563 VanDerWaalsContact O-N 3.09Å; L559-C563 PolarHBondContact O-SG 3.33Å; L560-C563 PolarHBondContact O-N 3.5Å; C561-C563 VanDerWaalsContact C-N 3.34Å; C561-C563 PolarHBondContact O-N 3.35Å; C563-L567 WeakPolarHBondContact O-CB 3.07Å; C563-L567 PolarHBondContact O-N 3.25Å |
| 564 | L | 89.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 25.5 Ų | 25.5 | 41% | 0.408 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -70.9 | -45 | 178.3 | -72.3 | 167.7 | 0 | 0 | 0 | 112.4 | I534 L560 C561 I562 L567 A568 | I534-L564 HydrophobicContact CD1-CD2 4.01Å; I534-L564 HydrophobicContact CD1-CG 4.48Å; I534-L564 HydrophobicContact CG1-CD2 4.46Å; I534-L564 HydrophobicContact CG2-CD2 4.35Å; L560-L564 HydrophobicContact CD1-CD1 4.28Å; L560-L564 HydrophobicContact CD1-CG 4.41Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 WeakPolarHBondContact O-CB 3.3Å; L560-L564 VanDerWaalsContact O-CG 3.3Å; L560-L564 WeakPolarHBondContact O-CG 3.26Å; L560-L564 PolarHBondContact O-N 3.01Å; C561-L564 PolarHBondContact O-N 2.89Å; I562-L564 VanDerWaalsContact C-N 3.33Å; I562-L564 PolarHBondContact O-N 3.39Å; L564-L567 PolarHBondContact O-N 2.71Å; L564-A568 WeakPolarHBondContact O-CB 3.21Å; L564-A568 PolarHBondContact O-N 2.96Å |
| 565 | S | 90.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 178.8 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | C561 I562 F569 T624 | C561-S565 PolarHBondContact O-N 3.18Å; C561-S565 PolarHBondContact O-OG 2.64Å; I562-S565 PolarHBondContact O-OG 3.06Å; S565-F569 VanDerWaalsContact O-CB 3.31Å; S565-F569 WeakPolarHBondContact O-CB 3.17Å; S565-F569 PolarHBondContact O-N 3.39Å; S565-T624 VanDerWaalsContact CB-OG1 3.32Å; S565-T624 WeakPolarHBondContact CB-OG1 3.39Å; S565-T624 VanDerWaalsContact OG-CA 3.29Å; S565-T624 WeakPolarHBondContact OG-CA 3.44Å; S565-T624 WeakPolarHBondContact OG-CB 3.31Å; S565-T624 PolarHBondContact OG-OG1 2.87Å |
| 566 | L | 86.2 | Confident | 82.7 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 176.1 | -178.9 | 58.2 | 0 | 0 | 0 | 111.9 | M1 L530 I562 I570 T624 I796 | M1-L566 HydrophobicContact CE-CD1 3.53Å; L530-L566 HydrophobicContact CD1-CB 4.42Å; L530-L566 HydrophobicContact CD1-CD2 3.98Å; L530-L566 HydrophobicContact CD1-CG 3.87Å; L530-L566 HydrophobicContact CD2-CD2 4.19Å; I562-L566 WeakPolarHBondContact O-CB 3.38Å; I562-L566 PolarHBondContact O-N 3.02Å; L566-I570 HydrophobicContact CD1-CD1 4.14Å; L566-I570 HydrophobicContact CD1-CG1 4.46Å; L566-I570 HydrophobicContact CG-CD1 4.13Å; L566-I570 WeakPolarHBondContact O-CD1 3.48Å; L566-I570 VanDerWaalsContact O-CG1 3.27Å; L566-I570 WeakPolarHBondContact O-CG1 3.44Å; L566-I570 PolarHBondContact O-N 3.05Å; L566-T624 HydrophobicContact CB-CG2 4.17Å; L566-T624 PolarHBondContact N-OG1 3.31Å; L566-I796 HydrophobicContact CD2-CD1 3.99Å |
| 567 | L | 88.2 | Confident | 82.4 | Confident | 24 Ų | 24 | 24.4 Ų | 24.4 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -45 | 175 | 179.2 | 61.4 | 0 | 0 | 0 | 111.6 | I527 L530 V531 I534 C563 L564 I570 I571 | I527-L567 HydrophobicContact CB-CD1 4.46Å; I527-L567 HydrophobicContact CG1-CD1 4.32Å; I527-L567 HydrophobicContact CG2-CD1 4.02Å; L530-L567 HydrophobicContact CD1-CB 4.43Å; V531-L567 HydrophobicContact CG2-CD1 4.33Å; V531-L567 HydrophobicContact CG2-CD2 3.96Å; I534-L567 HydrophobicContact CD1-CB 4.46Å; I534-L567 HydrophobicContact CD1-CD2 3.66Å; C563-L567 WeakPolarHBondContact O-CB 3.07Å; C563-L567 PolarHBondContact O-N 3.25Å; L564-L567 PolarHBondContact O-N 2.71Å; L567-I570 PolarHBondContact O-N 2.83Å; L567-I571 HydrophobicContact CD1-CD1 4.02Å; L567-I571 HydrophobicContact CD1-CG1 4.39Å; L567-I571 HydrophobicContact CG-CD1 4Å; L567-I571 WeakPolarHBondContact O-CG1 3.46Å; L567-I571 PolarHBondContact O-N 3.33Å |
| 568 | A | 89.4 | Confident | 81.7 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 21% | 0.207 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L564 I570 I571 T572 F620 | L564-A568 WeakPolarHBondContact O-CB 3.21Å; L564-A568 PolarHBondContact O-N 2.96Å; A568-I570 VanDerWaalsContact C-N 3.33Å; A568-I570 PolarHBondContact O-N 2.79Å; A568-I571 PolarHBondContact O-N 3.46Å; A568-T572 PolarHBondContact O-N 2.92Å; A568-T572 PolarHBondContact O-OG1 3.49Å; A568-T572 VanDerWaalsContact O-OG1 3.07Å; A568-F620 HydrophobicContact CB-CD1 3.85Å; A568-F620 HydrophobicContact CB-CD2 3.94Å; A568-F620 HydrophobicContact CB-CE1 3.82Å; A568-F620 HydrophobicContact CB-CE2 3.91Å; A568-F620 HydrophobicContact CB-CG 3.93Å; A568-F620 HydrophobicContact CB-CZ 3.86Å |
| 569 | F | 86.3 | Confident | 80.5 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.6 | -45.1 | 174.4 | 175.6 | -96.1 | 0 | 0 | 0 | 112.6 | M1 S565 F573 L617 F620 L621 W689 | M1-F569 HydrophobicContact CB-CE1 3.89Å; M1-F569 HydrophobicContact CE-CD1 3.57Å; M1-F569 HydrophobicContact CE-CE1 3.4Å; M1-F569 HydrophobicContact CE-CZ 4.48Å; M1-F569 HydrophobicContact CG-CE1 4Å; S565-F569 VanDerWaalsContact O-CB 3.31Å; S565-F569 WeakPolarHBondContact O-CB 3.17Å; S565-F569 PolarHBondContact O-N 3.39Å; F569-F573 WeakPolarHBondContact O-CB 3.42Å; F569-F573 PolarHBondContact O-N 3.09Å; F569-L617 HydrophobicContact CD2-CD2 3.64Å; F569-L617 HydrophobicContact CE2-CD2 3.44Å; F569-L617 VanDerWaalsContact CE2-CD2 3.44Å; F569-L617 HydrophobicContact CG-CD2 4.45Å; F569-L617 HydrophobicContact CZ-CD2 4.12Å; F569-F620 HydrophobicContact CB-CB 3.81Å; F569-F620 HydrophobicContact CD2-CB 4.44Å; F569-L621 HydrophobicContact CD2-CB 3.78Å; F569-L621 HydrophobicContact CD2-CD1 4.37Å; F569-L621 HydrophobicContact CD2-CG 4.49Å; F569-L621 HydrophobicContact CE2-CB 3.7Å; F569-L621 HydrophobicContact CE2-CD1 4.14Å; F569-L621 HydrophobicContact CE2-CD2 3.85Å; F569-L621 HydrophobicContact CE2-CG 4.1Å; F569-L621 HydrophobicContact CZ-CD1 4.22Å; F569-L621 HydrophobicContact CZ-CD2 4.02Å; F569-W689 HydrophobicContact CE2-CZ3 4.23Å |
| 570 | I | 80.4 | Confident | 79.1 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 179.7 | -68.4 | 164.2 | 0 | 0 | 0 | 111.5 | L523 I527 L530 L566 L567 A568 F573 L574 | L523-I570 HydrophobicContact CB-CG2 4.44Å; L523-I570 HydrophobicContact CD2-CG1 4.34Å; L523-I570 HydrophobicContact CD2-CG2 4.07Å; I527-I570 HydrophobicContact CD1-CG2 3.75Å; I527-I570 HydrophobicContact CG1-CG2 3.64Å; L530-I570 HydrophobicContact CD1-CD1 3.97Å; L566-I570 HydrophobicContact CD1-CD1 4.14Å; L566-I570 HydrophobicContact CD1-CG1 4.46Å; L566-I570 HydrophobicContact CG-CD1 4.13Å; L566-I570 WeakPolarHBondContact O-CD1 3.48Å; L566-I570 VanDerWaalsContact O-CG1 3.27Å; L566-I570 WeakPolarHBondContact O-CG1 3.44Å; L566-I570 PolarHBondContact O-N 3.05Å; L567-I570 PolarHBondContact O-N 2.83Å; A568-I570 VanDerWaalsContact C-N 3.33Å; A568-I570 PolarHBondContact O-N 2.79Å; I570-F573 WeakPolarHBondContact O-CB 3.38Å; I570-F573 PolarHBondContact O-N 3.16Å; I570-L574 HydrophobicContact CG2-CD1 4.42Å; I570-L574 WeakPolarHBondContact O-CG 3.46Å; I570-L574 PolarHBondContact O-N 3.24Å |
| 571 | I | 84.2 | Confident | 77.2 | Confident | 98 Ų | 98 | 35.6 Ų | 35.6 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.3 | -48.5 | 178.2 | -66.8 | 166.7 | 0 | 0 | 0 | 110.9 | L567 A568 F573 L574 S575 | L567-I571 HydrophobicContact CD1-CD1 4.02Å; L567-I571 HydrophobicContact CD1-CG1 4.39Å; L567-I571 HydrophobicContact CG-CD1 4Å; L567-I571 WeakPolarHBondContact O-CG1 3.46Å; L567-I571 PolarHBondContact O-N 3.33Å; A568-I571 PolarHBondContact O-N 3.46Å; I571-F573 PolarHBondContact O-N 2.89Å; I571-L574 PolarHBondContact O-N 3.05Å; I571-S575 PolarHBondContact O-N 3.41Å; I571-S575 VanDerWaalsContact O-N 3.07Å |
| 572 | T | 84.4 | Confident | 75.1 | Confident | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -33.3 | 175.7 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | A568 S575 G576 V613 L616 L617 | A568-T572 PolarHBondContact O-N 2.92Å; A568-T572 PolarHBondContact O-OG1 3.49Å; A568-T572 VanDerWaalsContact O-OG1 3.07Å; T572-S575 PolarHBondContact O-N 3.44Å; T572-G576 PolarHBondContact O-N 3.15Å; T572-V613 HydrophobicContact CG2-CB 4.49Å; T572-V613 HydrophobicContact CG2-CG1 4.15Å; T572-L616 HydrophobicContact CG2-CB 3.72Å; T572-L616 HydrophobicContact CG2-CD1 4.4Å; T572-L617 HydrophobicContact CG2-CD1 4.48Å; T572-L617 HydrophobicContact CG2-CD2 4.41Å; T572-L617 HydrophobicContact CG2-CG 3.8Å |
| 573 | F | 76.4 | Confident | 72.8 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.6 | 169.5 | -103.4 | 0 | 0 | 0 | 112.7 | M1 A3 W4 L523 F569 I570 I571 S575 G576 V577 L617 | M1-F573 VanDerWaalsContact N-CZ 3.29Å; A3-F573 HydrophobicContact CB-CZ 4.28Å; W4-F573 HydrophobicContact CB-CD2 4.26Å; W4-F573 HydrophobicContact CB-CE2 3.6Å; W4-F573 HydrophobicContact CB-CZ 4.31Å; W4-F573 HydrophobicContact CG-CE2 4.48Å; L523-F573 HydrophobicContact CD1-CD1 3.81Å; L523-F573 HydrophobicContact CD1-CE1 3.58Å; F569-F573 WeakPolarHBondContact O-CB 3.42Å; F569-F573 PolarHBondContact O-N 3.09Å; I570-F573 WeakPolarHBondContact O-CB 3.38Å; I570-F573 PolarHBondContact O-N 3.16Å; I571-F573 PolarHBondContact O-N 2.89Å; F573-S575 VanDerWaalsContact C-N 3.31Å; F573-S575 PolarHBondContact O-N 2.96Å; F573-G576 PolarHBondContact O-N 3.47Å; F573-G576 VanDerWaalsContact O-N 3.15Å; F573-V577 HydrophobicContact CD2-CG2 4.16Å; F573-V577 HydrophobicContact CE1-CG2 4.02Å; F573-V577 HydrophobicContact CE2-CG2 3.36Å; F573-V577 HydrophobicContact CZ-CG2 3.32Å; F573-V577 PolarHBondContact O-N 3.19Å; F573-L617 HydrophobicContact CB-CD2 3.86Å |
| 574 | L | 75.9 | Confident | 70.5 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 177.2 | -72.1 | 171.8 | 0 | 0 | 0 | 111.1 | L523 I527 I570 I571 G576 V577 Q578 | L523-L574 HydrophobicContact CD1-CD2 3.92Å; I527-L574 HydrophobicContact CD1-CD1 3.87Å; I570-L574 HydrophobicContact CG2-CD1 4.42Å; I570-L574 WeakPolarHBondContact O-CG 3.46Å; I570-L574 PolarHBondContact O-N 3.24Å; I571-L574 PolarHBondContact O-N 3.05Å; L574-G576 VanDerWaalsContact C-N 3.32Å; L574-G576 PolarHBondContact O-N 3.32Å; L574-V577 PolarHBondContact O-N 3.49Å; L574-Q578 WeakPolarHBondContact O-CB 3.17Å; L574-Q578 VanDerWaalsContact O-CG 3.27Å; L574-Q578 WeakPolarHBondContact O-CG 3.38Å; L574-Q578 PolarHBondContact O-N 2.97Å; L574-Q578 PolarHBondContact O-OE1 2.66Å |
| 575 | S | 76.7 | Confident | 68 | Low | 55 Ų | 55 | 57.6 Ų | 57.6 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 172.5 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | I571 T572 F573 N579 | I571-S575 PolarHBondContact O-N 3.41Å; I571-S575 VanDerWaalsContact O-N 3.07Å; T572-S575 PolarHBondContact O-N 3.44Å; F573-S575 VanDerWaalsContact C-N 3.31Å; F573-S575 PolarHBondContact O-N 2.96Å; S575-N579 WeakPolarHBondContact O-CB 3.46Å; S575-N579 PolarHBondContact O-N 2.84Å |
| 576 | G | 68.9 | Low | 65.5 | Low | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T572 F573 L574 S580 | T572-G576 PolarHBondContact O-N 3.15Å; F573-G576 PolarHBondContact O-N 3.47Å; F573-G576 VanDerWaalsContact O-N 3.15Å; L574-G576 VanDerWaalsContact C-N 3.32Å; L574-G576 PolarHBondContact O-N 3.32Å; G576-S580 PolarHBondContact O-N 3.1Å; G576-S580 PolarHBondContact O-OG 3.18Å |
| 577 | V | 66.6 | Low | 63.4 | Low | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | F573 L574 N579 S580 | F573-V577 HydrophobicContact CD2-CG2 4.16Å; F573-V577 HydrophobicContact CE1-CG2 4.02Å; F573-V577 HydrophobicContact CE2-CG2 3.36Å; F573-V577 HydrophobicContact CZ-CG2 3.32Å; F573-V577 PolarHBondContact O-N 3.19Å; L574-V577 PolarHBondContact O-N 3.49Å; V577-N579 VanDerWaalsContact C-N 3.31Å; V577-N579 PolarHBondContact O-N 3.14Å; V577-S580 WeakPolarHBondContact O-CB 3.5Å; V577-S580 PolarHBondContact O-N 3.45Å; V577-S580 VanDerWaalsContact O-N 3.09Å |
| 578 | Q | 62.7 | Low | 61.3 | Low | 152 Ų | 152 | 78.8 Ų | 78.8 | 71% | 0.71 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.6 | -31.7 | 176.7 | -72.9 | 169.3 | -28.3 | 0 | 0 | 111.9 | L574 S580 G581 | L574-Q578 WeakPolarHBondContact O-CB 3.17Å; L574-Q578 VanDerWaalsContact O-CG 3.27Å; L574-Q578 WeakPolarHBondContact O-CG 3.38Å; L574-Q578 PolarHBondContact O-N 2.97Å; L574-Q578 PolarHBondContact O-OE1 2.66Å; Q578-S580 VanDerWaalsContact C-N 3.27Å; Q578-S580 PolarHBondContact O-N 3.21Å; Q578-G581 PolarHBondContact O-N 2.8Å |
| 579 | N | 55.1 | Low | 59.4 | Low | 75 Ų | 75 | 82.8 Ų | 82.8 | 40% | 0.401 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.8 | 170.4 | -161.2 | 121.1 | 0 | 0 | 0 | 113 | S575 V577 G581 | S575-N579 WeakPolarHBondContact O-CB 3.46Å; S575-N579 PolarHBondContact O-N 2.84Å; V577-N579 VanDerWaalsContact C-N 3.31Å; V577-N579 PolarHBondContact O-N 3.14Å; N579-G581 VanDerWaalsContact C-N 3.32Å |
| 580 | S | 52.3 | Low | 57.8 | Low | 46 Ų | 46 | 85.9 Ų | 85.9 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.2 | 169.4 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | G576 V577 Q578 E686 | G576-S580 PolarHBondContact O-N 3.1Å; G576-S580 PolarHBondContact O-OG 3.18Å; V577-S580 WeakPolarHBondContact O-CB 3.5Å; V577-S580 PolarHBondContact O-N 3.45Å; V577-S580 VanDerWaalsContact O-N 3.09Å; Q578-S580 VanDerWaalsContact C-N 3.27Å; Q578-S580 PolarHBondContact O-N 3.21Å; S580-E686 WeakPolarHBondContact CB-O 3.44Å; S580-E686 PolarHBondContact OG-O 2.94Å |
| 581 | G | 45.7 | Very low | 57 | Low | 41 Ų | 41 | 88.7 Ų | 88.7 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -77.2 | 125.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q578 N579 E583 | Q578-G581 PolarHBondContact O-N 2.8Å; N579-G581 VanDerWaalsContact C-N 3.32Å; G581-E583 PolarHBondContact O-N 3.13Å |
| 582 | P | 43.4 | Very low | 56.2 | Low | 118 Ų | 118 | 91.3 Ų | 91.3 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | trans | -66 | 107.8 | 168.7 | 26.9 | -31.7 | 0 | 0 | 0 | 108.9 | D584 | P582-D584 PolarHBondContact O-N 2.87Š| ||
| 583 | E | 39 | Very low | 56 | Low | 194 Ų | 194 | 96.1 Ų | 96.1 | 91% | 0.907 | 54% | 0.541 | S | S | * | . | trans | -66.7 | 84.3 | 163.2 | -86.9 | -165.1 | 133.2 | 0 | 0 | 108.7 | G581 S585 | G581-E583 PolarHBondContact O-N 3.13Å; E583-S585 PolarHBondContact O-N 3Å | ||
| 584 | D | 38.5 | Very low | 56.7 | Low | 142 Ų | 142 | 96.9 Ų | 96.9 | 76% | 0.759 | 55% | 0.546 | S | S | * | . | trans | 34.7 | 50 | 160.5 | -160.4 | 12.2 | 0 | 0 | 0 | 114.3 | P582 T586 | P582-D584 PolarHBondContact O-N 2.87Å; D584-T586 PolarHBondContact O-N 2.87Å | ||
| 585 | S | 37.1 | Very low | 57.3 | Low | 93 Ų | 93 | 100.4 Ų | 100.4 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | trans | -71.3 | 79.5 | 165.1 | 58.6 | 0 | 0 | 0 | 0 | 106.6 | E583 E587 | E583-S585 PolarHBondContact O-N 3Å; S585-E587 PolarHBondContact O-N 3.34Å | ||
| 586 | T | 38.6 | Very low | 57.9 | Low | 106 Ų | 106 | 100.2 Ų | 100.2 | 65% | 0.65 | 56% | 0.555 | S | S | * | * | trans | -28.4 | 125.4 | 165.3 | -57.5 | 0 | 0 | 0 | 0 | 108.9 | D584 E588 | D584-T586 PolarHBondContact O-N 2.87Å; T586-E588 PolarHBondContact O-N 3.36Å | ||
| 587 | E | 42.1 | Very low | 58.7 | Low | 188 Ų | 188 | 101.2 Ų | 101.2 | 88% | 0.879 | 56% | 0.559 | S | S | * | * | trans | -34 | 96.8 | -176.6 | -60.2 | 176.3 | 140.9 | 0 | 0 | 110.8 | S585 P589 | S585-E587 PolarHBondContact O-N 3.34Å; E587-P589 WeakPolarHBondContact O-CD 3.07Å | ||
| 588 | E | 43.4 | Very low | 59.6 | Low | 178 Ų | 178 | 103.5 Ų | 103.5 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | trans | -67.2 | 112.9 | -176.7 | -87 | -152.9 | 164.4 | 0 | 0 | 106.3 | T586 S590 | T586-E588 PolarHBondContact O-N 3.36Å; E588-S590 PolarHBondContact O-N 2.89Å | ||
| 589 | P | 48.5 | Very low | 60.6 | Low | 109 Ų | 109 | 97.3 Ų | 97.3 | 71% | 0.708 | 54% | 0.539 | S | S | * | . | trans | -63.7 | 132.5 | -176.4 | 27.3 | -33.5 | 0 | 0 | 0 | 107.2 | E587 S591 | E587-P589 WeakPolarHBondContact O-CD 3.07Å; P589-S591 WeakPolarHBondContact O-CA 3.14Å; P589-S591 PolarHBondContact O-N 3.22Å | ||
| 590 | S | 54.3 | Low | 61.8 | Low | 69 Ų | 69 | 93.7 Ų | 93.7 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | trans | -52.5 | 104.2 | -177.5 | 40.1 | 0 | 0 | 0 | 0 | 109.8 | E588 D592 | E588-S590 PolarHBondContact O-N 2.89Å; S590-D592 PolarHBondContact O-N 2.95Å; S590-D592 VanDerWaalsContact O-N 3.17Å | ||
| 591 | S | 62.5 | Low | 63.1 | Low | 62 Ų | 62 | 92.9 Ų | 92.9 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | trans | -48 | 119.9 | -155.7 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | K481 P589 Q593 | K481-S591 WeakPolarHBondContact CE-O 3.26Å; K481-S591 PolarHBondContact NZ-O 3Å; P589-S591 WeakPolarHBondContact O-CA 3.14Å; P589-S591 PolarHBondContact O-N 3.22Å; S591-Q593 PolarHBondContact O-N 3.41Å | ||
| 592 | D | 68.1 | Low | 64.5 | Low | 153 Ų | 153 | 94.7 Ų | 94.7 | 82% | 0.818 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -54.2 | -17.2 | -175.3 | -68.8 | -55.4 | 0 | 0 | 0 | 113.9 | S590 | S590-D592 PolarHBondContact O-N 2.95Å; S590-D592 VanDerWaalsContact O-N 3.17Å |
| 593 | Q | 80.9 | Confident | 65.5 | Low | 119 Ų | 119 | 91.5 Ų | 91.5 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -74.4 | 125.1 | 179.3 | -56.6 | -167.6 | 10.9 | 0 | 0 | 112.4 | K481 S591 Q595 | K481-Q593 WeakPolarHBondContact CE-O 3.41Å; K481-Q593 PolarHBondContact NZ-O 2.91Å; S591-Q593 PolarHBondContact O-N 3.41Å; Q593-Q595 VanDerWaalsContact C-N 3.28Å; Q593-Q595 HydrophobicContact CB-CG 4.05Å; Q593-Q595 PolarHBondContact O-N 3.3Å |
| 594 | N | 89.4 | Confident | 66.7 | Low | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.134 | 46% | 0.459 | C | S | . | . | trans | -78.6 | 70.7 | 174.4 | -168.7 | 30.2 | 0 | 0 | 0 | 111.5 | S463 C464 T476 C479 K481 | S463-N594 VanDerWaalsContact CA-OD1 3.22Å; S463-N594 WeakPolarHBondContact CA-OD1 3.37Å; S463-N594 WeakPolarHBondContact CB-OD1 3.11Å; C464-N594 PolarHBondContact N-OD1 3.12Å; C464-N594 PolarHBondContact O-ND2 3.44Å; T476-N594 WeakPolarHBondContact CG2-O 3.29Å; C479-N594 PolarHBondContact O-ND2 3.44Å; K481-N594 HydrophobicContact CG-CB 4.41Å | ||
| 595 | Q | 88.9 | Confident | 67.6 | Low | 123 Ų | 123 | 84 Ų | 84 | 58% | 0.575 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -96 | 143.2 | 176.7 | -59.6 | -165 | 19 | 0 | 0 | 111.9 | S463 Q593 | S463-Q595 WeakPolarHBondContact CB-O 3.45Å; S463-Q595 PolarHBondContact OG-O 2.88Å; Q593-Q595 VanDerWaalsContact C-N 3.28Å; Q593-Q595 HydrophobicContact CB-CG 4.05Å; Q593-Q595 PolarHBondContact O-N 3.3Å |
| 596 | I | 88.9 | Confident | 68.6 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 128.9 | 178 | -57.6 | 178.9 | 0 | 0 | 0 | 110.1 | T418 V465 W474 T476 L502 | T418-I596 HydrophobicContact CG2-CB 4.49Å; T418-I596 HydrophobicContact CG2-CG2 3.77Å; V465-I596 HydrophobicContact CG1-CG1 4.17Å; W474-I596 HydrophobicContact CB-CD1 4.41Å; W474-I596 WeakPolarHBondContact O-CD1 3.24Å; T476-I596 HydrophobicContact CG2-CD1 4.24Å; T476-I596 HydrophobicContact CG2-CG1 3.61Å; L502-I596 HydrophobicContact CD1-CG2 4.07Å |
| 597 | L | 86.9 | Confident | 69.6 | Low | 25 Ų | 25 | 87.9 Ų | 87.9 | 13% | 0.131 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 146.4 | 179.3 | -63.1 | 82.6 | 0 | 0 | 0 | 111.2 | Y419 D461 S463 S504 | Y419-L597 HydrophobicContact CD2-CB 4.26Å; Y419-L597 WeakPolarHBondContact CD2-O 3.12Å; Y419-L597 HydrophobicContact CE2-CB 4.41Å; D461-L597 WeakPolarHBondContact O-CD2 3.29Å; S463-L597 WeakPolarHBondContact OG-CD1 3.34Å; S504-L597 VanDerWaalsContact CB-CD2 3.45Å; S504-L597 WeakPolarHBondContact OG-CD2 3.38Å |
| 598 | E | 84.8 | Confident | 70.7 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 49% | 0.486 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -76.2 | -26.3 | 176.6 | -171.7 | 176.2 | -177.2 | 0 | 0 | 112.8 | R420 | R420-E598 IonicContact CZ-OE1 3.63Å; R420-E598 VanDerWaalsContact CZ-OE1 3.31Å; R420-E598 PolarHBondContact N-O 2.8Å; R420-E598 IonicContact NH1-OE1 3.02Å; R420-E598 PolarHBondContact NH1-OE1 3.4Å; R420-E598 IonicContact NH2-OE1 3.54Å; R420-E598 PolarHBondContact NH2-OE1 2.8Å |
| 599 | S | 83.8 | Confident | 72.2 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -153.1 | 160.7 | 179.9 | -152.3 | 0 | 0 | 0 | 0 | 113.1 | R420 Q601 | R420-S599 VanDerWaalsContact O-CA 3.31Å; R420-S599 WeakPolarHBondContact O-CA 3.3Å; R420-S599 PolarHBondContact O-OG 2.73Å; S599-Q601 VanDerWaalsContact C-N 3.27Å; S599-Q601 PolarHBondContact O-N 2.99Å |
| 600 | D | 81.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -71.5 | -10.6 | 171.1 | 65 | -34.1 | 0 | 0 | 0 | 116 | Y419 R420 R422 R423 A424 W503 S504 F505 | Y419-D600 HydrophobicContact CE1-CB 4.38Å; Y419-D600 WeakPolarHBondContact OH-CB 3.31Å; R420-D600 PolarHBondContact O-N 2.76Å; R420-D600 VanDerWaalsContact O-N 3.08Å; R422-D600 WeakPolarHBondContact CA-OD2 3.34Å; R422-D600 WeakPolarHBondContact CB-OD1 3.45Å; R422-D600 PolarHBondContact N-OD1 2.57Å; R422-D600 PolarHBondContact N-OD2 2.99Å; R423-D600 PolarHBondContact N-OD2 2.71Å; A424-D600 HydrophobicContact CB-CB 3.59Å; A424-D600 PolarHBondContact N-OD2 3.41Å; W503-D600 WeakPolarHBondContact O-CA 3.27Å; S504-D600 WeakPolarHBondContact CA-O 3.37Å; F505-D600 WeakPolarHBondContact CD1-O 3.44Å; F505-D600 VanDerWaalsContact CE1-O 3.27Å; F505-D600 WeakPolarHBondContact CE1-O 3.29Å; F505-D600 PolarHBondContact N-O 2.76Å; F505-D600 VanDerWaalsContact N-O 3.15Å |
| 601 | Q | 79.6 | Confident | 74.8 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -115.7 | 120.4 | 173.6 | -172.3 | -179.8 | 26.6 | 0 | 0 | 107.8 | F505 E507 S599 | F505-Q601 HydrophobicContact CE1-CB 4.39Å; F505-Q601 HydrophobicContact CE2-CG 4.16Å; F505-Q601 HydrophobicContact CZ-CB 4.16Å; F505-Q601 HydrophobicContact CZ-CG 4.09Å; E507-Q601 PolarHBondContact OE1-NE2 3.13Å; S599-Q601 VanDerWaalsContact C-N 3.27Å; S599-Q601 PolarHBondContact O-N 2.99Å |
| 602 | Y | 73.2 | Confident | 75.8 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | trans | -74.8 | 145.5 | 172.8 | -177.3 | -96.6 | 0 | 0 | 0 | 110.3 | H460 F505 R506 E604 | H460-Y602 AromaticContact CD2-CD1 3.91Å; H460-Y602 AromaticContact CD2-CG 3.98Å; H460-Y602 AromaticContact CE1-CD1 3.81Å; H460-Y602 AromaticContact CE1-CD2 3.24Å; H460-Y602 WeakPolarHBondContact CE1-CD2 3.32Å; H460-Y602 AromaticContact CE1-CE1 3.9Å; H460-Y602 AromaticContact CE1-CE2 3.32Å; H460-Y602 WeakPolarHBondContact CE1-CE2 3.2Å; H460-Y602 AromaticContact CE1-CG 3.49Å; H460-Y602 VanDerWaalsContact CE1-CG 3.49Å; H460-Y602 AromaticContact CE1-CZ 3.66Å; H460-Y602 AromaticContact CG-CG 3.75Å; H460-Y602 AromaticContact ND1-CD2 3.37Å; H460-Y602 WeakPolarHBondContact ND1-CD2 3.39Å; H460-Y602 AromaticContact ND1-CE2 3.94Å; H460-Y602 AromaticContact ND1-CG 3.45Å; H460-Y602 AromaticContact NE2-CD1 3.65Å; H460-Y602 AromaticContact NE2-CD2 3.94Å; H460-Y602 AromaticContact NE2-CE1 3.65Å; H460-Y602 AromaticContact NE2-CE2 3.93Å; H460-Y602 AromaticContact NE2-CG 3.79Å; H460-Y602 AromaticContact NE2-CZ 3.79Å; F505-Y602 PolarHBondContact O-N 3.24Å; R506-Y602 VanDerWaalsContact NH2-CE1 3.27Å; Y602-E604 HydrophobicContact CE1-CG 4.4Å; Y602-E604 WeakPolarHBondContact CE1-OE2 3.46Å | ||
| 603 | V | 66.3 | Low | 76.5 | Confident | 52 Ų | 52 | 60 Ų | 60 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | trans | -142.7 | 118.9 | 178.9 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | P679 L680 | V603-P679 HydrophobicContact CG1-CG 4.46Å; V603-L680 HydrophobicContact CB-CD1 4.41Å; V603-L680 HydrophobicContact CG1-CD1 3.76Å; V603-L680 HydrophobicContact CG1-CG 4.37Å; V603-L680 HydrophobicContact CG2-CD1 3.79Å | ||
| 604 | E | 62.9 | Low | 76.6 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -53.5 | 131 | 172.7 | -108.7 | 78.8 | -164.6 | 0 | 0 | 111 | R506 Y602 D606 | R506-E604 IonicContact CZ-OE1 2.74Å; R506-E604 IonicContact CZ-OE2 3.17Å; R506-E604 IonicContact NH1-OE1 2.61Å; R506-E604 PolarHBondContact NH1-OE1 3.23Å; R506-E604 IonicContact NH1-OE2 3.22Å; R506-E604 PolarHBondContact NH1-OE2 3.2Å; R506-E604 IonicContact NH2-OE1 2.64Å; R506-E604 PolarHBondContact NH2-OE1 2.95Å; R506-E604 IonicContact NH2-OE2 3.69Å; Y602-E604 HydrophobicContact CE1-CG 4.4Å; Y602-E604 WeakPolarHBondContact CE1-OE2 3.46Å; E604-D606 PolarHBondContact O-N 2.9Å | ||
| 605 | P | 57.1 | Low | 76.5 | Confident | 100 Ų | 100 | 54.2 Ų | 54.2 | 65% | 0.649 | 29% | 0.288 | S | S | * | . | trans | -69 | 123 | 175.5 | 26.6 | -32.7 | 0 | 0 | 0 | 110.9 | R607 | P605-R607 PolarHBondContact O-N 3.4Š| ||
| 606 | D | 58.5 | Low | 76.5 | Confident | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.219 | 28% | 0.279 | C | S | . | . | trans | -62.1 | 108.5 | -172.2 | -175.6 | 22.1 | 0 | 0 | 0 | 113.1 | E604 G608 T611 P679 R683 | E604-D606 PolarHBondContact O-N 2.9Å; D606-G608 PolarHBondContact O-N 2.86Å; D606-G608 WeakPolarHBondContact OD1-CA 3.48Å; D606-G608 PolarHBondContact OD1-N 3.37Å; D606-T611 WeakPolarHBondContact OD2-CB 3.34Å; D606-T611 PolarHBondContact OD2-OG1 3.07Å; D606-P679 HydrophobicContact CB-CB 3.95Å; D606-P679 HydrophobicContact CB-CG 4.06Å; D606-R683 VanDerWaalsContact CG-NH1 3.28Å; D606-R683 IonicContact OD1-CZ 2.64Å; D606-R683 IonicContact OD1-NH1 3.89Å; D606-R683 PolarHBondContact OD1-NH1 3.33Å; D606-R683 IonicContact OD1-NH2 2.78Å; D606-R683 IonicContact OD2-NH1 2.72Å | ||
| 607 | R | 60.5 | Low | 76.3 | Confident | 240 Ų | 240 | 49.9 Ų | 49.9 | 91% | 0.906 | 27% | 0.268 | S | S | * | . | trans | -70.7 | 0.8 | 170.4 | -63 | -176.9 | -179.2 | 172.4 | 2 | 113.2 | P605 S609 | P605-R607 PolarHBondContact O-N 3.4Å; R607-S609 VanDerWaalsContact C-N 3.25Å; R607-S609 PolarHBondContact O-N 3.32Å; R607-S609 VanDerWaalsContact O-N 3.13Å | ||
| 608 | G | 64.6 | Low | 76.3 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 83.4 | -25.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D606 C610 T611 A612 | D606-G608 PolarHBondContact O-N 2.86Å; D606-G608 WeakPolarHBondContact OD1-CA 3.48Å; D606-G608 PolarHBondContact OD1-N 3.37Å; G608-C610 PolarHBondContact O-N 2.91Å; G608-T611 PolarHBondContact O-N 2.91Å; G608-A612 PolarHBondContact O-N 3.07Å |
| 609 | S | 74.8 | Confident | 76.6 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.2 | -55.3 | 179.6 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | R607 T611 A612 V613 | R607-S609 VanDerWaalsContact C-N 3.25Å; R607-S609 PolarHBondContact O-N 3.32Å; R607-S609 VanDerWaalsContact O-N 3.13Å; S609-T611 VanDerWaalsContact C-N 3.33Å; S609-T611 PolarHBondContact O-N 2.89Å; S609-A612 PolarHBondContact O-N 3.23Å; S609-V613 WeakPolarHBondContact O-CG2 3.19Å; S609-V613 PolarHBondContact O-N 3.32Å |
| 610 | C | 76.7 | Confident | 76.9 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.2 | -27.3 | -176.1 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | G608 A614 R683 C688 | G608-C610 PolarHBondContact O-N 2.91Å; C610-A614 WeakPolarHBondContact O-CB 3.14Å; C610-A614 PolarHBondContact O-N 3.23Å; C610-R683 VanDerWaalsContact C-CD 3.5Å; C610-R683 VanDerWaalsContact CB-CZ 3.49Å; C610-R683 WeakPolarHBondContact O-CD 3.18Å; C610-R683 VanDerWaalsContact SG-CD 3.56Å; C610-R683 PolarHBondContact SG-NE 2.97Å; C610-R683 VanDerWaalsContact SG-NE 3.41Å; C610-C688 VanDerWaalsContact CA-SG 3.58Å; C610-C688 HydrophobicContact CB-CB 4.08Å; C610-C688 WeakPolarHBondContact CB-SG 3.45Å; C610-C688 WeakPolarHBondContact SG-CA 3.39Å; C610-C688 WeakPolarHBondContact SG-CB 3.38Å; C610-C688 CovalentContact SG-SG 2.03Å; C610-C688 PolarHBondContact SG-SG 2.97Å |
| 611 | T | 79.9 | Confident | 77.1 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.6 | -42.7 | 170.6 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | D606 G608 S609 A614 A615 Y674 Y682 R683 | D606-T611 WeakPolarHBondContact OD2-CB 3.34Å; D606-T611 PolarHBondContact OD2-OG1 3.07Å; G608-T611 PolarHBondContact O-N 2.91Å; S609-T611 VanDerWaalsContact C-N 3.33Å; S609-T611 PolarHBondContact O-N 2.89Å; T611-A614 PolarHBondContact O-N 3.13Å; T611-A615 PolarHBondContact O-N 3.18Å; T611-Y674 HydrophobicContact CG2-CD2 4.06Å; T611-Y674 HydrophobicContact CG2-CE2 3.89Å; T611-Y682 HydrophobicContact CG2-CD1 4.21Å; T611-Y682 HydrophobicContact CG2-CE1 4.25Å; T611-R683 PolarHBondContact OG1-NH1 2.92Å |
| 612 | A | 83.8 | Confident | 77.5 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G608 S609 A615 L616 | G608-A612 PolarHBondContact O-N 3.07Å; S609-A612 PolarHBondContact O-N 3.23Å; A612-A615 PolarHBondContact O-N 3.15Å; A612-L616 WeakPolarHBondContact O-CB 3.4Å; A612-L616 VanDerWaalsContact O-CG 3.25Å; A612-L616 WeakPolarHBondContact O-CG 3.36Å; A612-L616 PolarHBondContact O-N 3.02Å |
| 613 | V | 83.5 | Confident | 78.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 173.3 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | T572 S609 A615 L616 L617 C688 | T572-V613 HydrophobicContact CG2-CB 4.49Å; T572-V613 HydrophobicContact CG2-CG1 4.15Å; S609-V613 WeakPolarHBondContact O-CG2 3.19Å; S609-V613 PolarHBondContact O-N 3.32Å; V613-A615 PolarHBondContact O-N 2.96Å; V613-L616 PolarHBondContact O-N 3.47Å; V613-L617 HydrophobicContact CG1-CD1 3.75Å; V613-L617 VanDerWaalsContact O-CB 3.27Å; V613-L617 WeakPolarHBondContact O-CB 3.29Å; V613-L617 WeakPolarHBondContact O-CG 3.34Å; V613-L617 PolarHBondContact O-N 3.01Å; V613-C688 HydrophobicContact CB-CB 3.98Å; V613-C688 HydrophobicContact CG1-CB 3.45Å; V613-C688 VanDerWaalsContact CG1-CB 3.45Å |
| 614 | A | 83.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C610 T611 L617 H618 Y682 R683 C688 | C610-A614 WeakPolarHBondContact O-CB 3.14Å; C610-A614 PolarHBondContact O-N 3.23Å; T611-A614 PolarHBondContact O-N 3.13Å; A614-L617 PolarHBondContact O-N 3.41Å; A614-H618 PolarHBondContact O-N 3.48Å; A614-Y682 HydrophobicContact CB-CE1 4.41Å; A614-R683 HydrophobicContact CB-CG 4.17Å; A614-C688 VanDerWaalsContact CA-O 3.29Å; A614-C688 WeakPolarHBondContact CA-O 3.43Å |
| 615 | A | 87.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T611 A612 V613 F619 Y682 | T611-A615 PolarHBondContact O-N 3.18Å; A612-A615 PolarHBondContact O-N 3.15Å; V613-A615 PolarHBondContact O-N 2.96Å; A615-F619 WeakPolarHBondContact O-CB 3.43Å; A615-F619 PolarHBondContact O-N 3.43Å; A615-Y682 VanDerWaalsContact CA-OH 3.24Å; A615-Y682 WeakPolarHBondContact CA-OH 3.46Å; A615-Y682 HydrophobicContact CB-CE1 4.42Å; A615-Y682 WeakPolarHBondContact CB-OH 3.32Å |
| 616 | L | 88.7 | Confident | 81.9 | Confident | 76 Ų | 76 | 32 Ų | 32 | 40% | 0.398 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 174.9 | -72.8 | 170.5 | 0 | 0 | 0 | 111.5 | T572 A612 V613 F619 F620 | T572-L616 HydrophobicContact CG2-CB 3.72Å; T572-L616 HydrophobicContact CG2-CD1 4.4Å; A612-L616 WeakPolarHBondContact O-CB 3.4Å; A612-L616 VanDerWaalsContact O-CG 3.25Å; A612-L616 WeakPolarHBondContact O-CG 3.36Å; A612-L616 PolarHBondContact O-N 3.02Å; V613-L616 PolarHBondContact O-N 3.47Å; L616-F619 PolarHBondContact O-N 3.33Å; L616-F620 HydrophobicContact CB-CD2 4.25Å; L616-F620 HydrophobicContact CB-CE2 4Å; L616-F620 HydrophobicContact CD2-CE2 3.92Å; L616-F620 HydrophobicContact CD2-CZ 4.15Å; L616-F620 HydrophobicContact CG-CE2 4.48Å; L616-F620 WeakPolarHBondContact O-CD2 3.49Å; L616-F620 WeakPolarHBondContact O-CG 3.48Å; L616-F620 PolarHBondContact O-N 3.05Å |
| 617 | L | 84.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.1 | -87.6 | 169.8 | 0 | 0 | 0 | 112.8 | F569 T572 F573 V613 A614 F619 L621 C688 W689 | F569-L617 HydrophobicContact CD2-CD2 3.64Å; F569-L617 HydrophobicContact CE2-CD2 3.44Å; F569-L617 VanDerWaalsContact CE2-CD2 3.44Å; F569-L617 HydrophobicContact CG-CD2 4.45Å; F569-L617 HydrophobicContact CZ-CD2 4.12Å; T572-L617 HydrophobicContact CG2-CD1 4.48Å; T572-L617 HydrophobicContact CG2-CD2 4.41Å; T572-L617 HydrophobicContact CG2-CG 3.8Å; F573-L617 HydrophobicContact CB-CD2 3.86Å; V613-L617 HydrophobicContact CG1-CD1 3.75Å; V613-L617 VanDerWaalsContact O-CB 3.27Å; V613-L617 WeakPolarHBondContact O-CB 3.29Å; V613-L617 WeakPolarHBondContact O-CG 3.34Å; V613-L617 PolarHBondContact O-N 3.01Å; A614-L617 PolarHBondContact O-N 3.41Å; L617-F619 VanDerWaalsContact C-N 3.34Å; L617-F619 PolarHBondContact O-N 3.32Å; L617-L621 WeakPolarHBondContact O-CB 3.23Å; L617-L621 PolarHBondContact O-N 2.89Å; L617-C688 WeakPolarHBondContact CD1-O 3.25Å; L617-W689 HydrophobicContact CB-CE3 3.74Å; L617-W689 HydrophobicContact CB-CZ3 3.69Å; L617-W689 HydrophobicContact CD1-CE3 4.33Å; L617-W689 HydrophobicContact CG-CE3 4.5Å |
| 618 | H | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 173.2 | -176.7 | -155.1 | 0 | 0 | 0 | 111.4 | A614 L622 T666 L690 A708 | A614-H618 PolarHBondContact O-N 3.48Å; H618-L622 WeakPolarHBondContact O-CG 3.29Å; H618-L622 PolarHBondContact O-N 3.01Å; H618-T666 HydrophobicContact CB-CG2 4.09Å; H618-T666 VanDerWaalsContact ND1-CG2 3.34Å; H618-T666 WeakPolarHBondContact ND1-CG2 3.42Å; H618-L690 HydrophobicContact CB-CD1 3.71Å; H618-A708 PolarHBondContact NE2-O 3.23Å |
| 619 | F | 90.8 | Very high | 85.4 | Confident | 44 Ų | 44 | 17.7 Ų | 17.7 | 19% | 0.193 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.2 | -53.3 | -178.7 | 172.7 | -107.5 | 0 | 0 | 0 | 113.1 | A615 L616 L617 L621 L622 A623 W659 P662 A663 T666 | A615-F619 WeakPolarHBondContact O-CB 3.43Å; A615-F619 PolarHBondContact O-N 3.43Å; L616-F619 PolarHBondContact O-N 3.33Å; L617-F619 VanDerWaalsContact C-N 3.34Å; L617-F619 PolarHBondContact O-N 3.32Å; F619-L621 VanDerWaalsContact C-N 3.27Å; F619-L621 PolarHBondContact O-N 3.34Å; F619-L622 PolarHBondContact O-N 3.39Å; F619-A623 VanDerWaalsContact O-CB 3.29Å; F619-A623 WeakPolarHBondContact O-CB 3.3Å; F619-A623 PolarHBondContact O-N 3.45Å; F619-W659 HydrophobicContact CE1-CE3 4.05Å; F619-W659 AromaticContact CE1-CZ3 3.97Å; F619-W659 HydrophobicContact CE1-CZ3 3.97Å; F619-W659 HydrophobicContact CE2-CE3 4.37Å; F619-W659 AromaticContact CZ-CE3 3.56Å; F619-W659 HydrophobicContact CZ-CE3 3.56Å; F619-W659 AromaticContact CZ-CZ3 3.98Å; F619-W659 HydrophobicContact CZ-CZ3 3.98Å; F619-P662 HydrophobicContact CD2-CB 3.78Å; F619-P662 HydrophobicContact CE2-CB 3.85Å; F619-A663 HydrophobicContact CD2-CB 4.48Å; F619-A663 HydrophobicContact CE2-CB 3.94Å; F619-T666 HydrophobicContact CB-CG2 3.77Å; F619-T666 HydrophobicContact CD2-CG2 4.46Å |
| 620 | F | 90.3 | Very high | 85.9 | Confident | 38 Ų | 38 | 15.9 Ų | 15.9 | 17% | 0.167 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.5 | -29.3 | -176.9 | -67 | -51.1 | 0 | 0 | 0 | 112.6 | A568 F569 L616 T624 | A568-F620 HydrophobicContact CB-CD1 3.85Å; A568-F620 HydrophobicContact CB-CD2 3.94Å; A568-F620 HydrophobicContact CB-CE1 3.82Å; A568-F620 HydrophobicContact CB-CE2 3.91Å; A568-F620 HydrophobicContact CB-CG 3.93Å; A568-F620 HydrophobicContact CB-CZ 3.86Å; F569-F620 HydrophobicContact CB-CB 3.81Å; F569-F620 HydrophobicContact CD2-CB 4.44Å; L616-F620 HydrophobicContact CB-CD2 4.25Å; L616-F620 HydrophobicContact CB-CE2 4Å; L616-F620 HydrophobicContact CD2-CE2 3.92Å; L616-F620 HydrophobicContact CD2-CZ 4.15Å; L616-F620 HydrophobicContact CG-CE2 4.48Å; L616-F620 WeakPolarHBondContact O-CD2 3.49Å; L616-F620 WeakPolarHBondContact O-CG 3.48Å; L616-F620 PolarHBondContact O-N 3.05Å; F620-T624 WeakPolarHBondContact O-CB 3.16Å; F620-T624 PolarHBondContact O-N 3.5Å; F620-T624 PolarHBondContact O-OG1 3.45Å |
| 621 | L | 85.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.4 | -51.2 | 175.1 | -167.4 | 49.9 | 0 | 0 | 0 | 111.4 | F569 L617 F619 A623 T624 F625 W689 F709 W764 | F569-L621 HydrophobicContact CD2-CB 3.78Å; F569-L621 HydrophobicContact CD2-CD1 4.37Å; F569-L621 HydrophobicContact CD2-CG 4.49Å; F569-L621 HydrophobicContact CE2-CB 3.7Å; F569-L621 HydrophobicContact CE2-CD1 4.14Å; F569-L621 HydrophobicContact CE2-CD2 3.85Å; F569-L621 HydrophobicContact CE2-CG 4.1Å; F569-L621 HydrophobicContact CZ-CD1 4.22Å; F569-L621 HydrophobicContact CZ-CD2 4.02Å; L617-L621 WeakPolarHBondContact O-CB 3.23Å; L617-L621 PolarHBondContact O-N 2.89Å; F619-L621 VanDerWaalsContact C-N 3.27Å; F619-L621 PolarHBondContact O-N 3.34Å; L621-A623 VanDerWaalsContact C-N 3.28Å; L621-A623 PolarHBondContact O-N 2.91Å; L621-T624 WeakPolarHBondContact O-CB 3.49Å; L621-T624 PolarHBondContact O-N 3.24Å; L621-T624 VanDerWaalsContact O-N 3.13Å; L621-F625 HydrophobicContact CD1-CD2 4.16Å; L621-F625 HydrophobicContact CD1-CE2 3.6Å; L621-F625 HydrophobicContact CD1-CZ 4.46Å; L621-F625 HydrophobicContact CG-CD2 4.21Å; L621-F625 HydrophobicContact CG-CE2 3.81Å; L621-F625 WeakPolarHBondContact O-CD2 3.27Å; L621-F625 PolarHBondContact O-N 2.93Å; L621-F625 VanDerWaalsContact O-N 3.12Å; L621-W689 HydrophobicContact CD2-CH2 3.85Å; L621-W689 HydrophobicContact CD2-CZ3 4.35Å; L621-F709 HydrophobicContact CD2-CE2 3.61Å; L621-F709 HydrophobicContact CD2-CZ 3.5Å; L621-F709 VanDerWaalsContact CD2-CZ 3.5Å; L621-F709 HydrophobicContact CG-CE2 4.03Å; L621-F709 HydrophobicContact CG-CZ 4.33Å; L621-W764 HydrophobicContact CD1-CH2 3.78Å; L621-W764 HydrophobicContact CD1-CZ2 3.8Å; L621-W764 HydrophobicContact CD2-CH2 4.16Å |
| 622 | L | 87.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 16.4 Ų | 16.4 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 174.9 | -73 | 179.2 | 0 | 0 | 0 | 112.4 | H618 F619 F625 S626 P662 V665 T666 F709 P712 | H618-L622 WeakPolarHBondContact O-CG 3.29Å; H618-L622 PolarHBondContact O-N 3.01Å; F619-L622 PolarHBondContact O-N 3.39Å; L622-F625 PolarHBondContact O-N 3.37Å; L622-S626 WeakPolarHBondContact O-CB 3.37Å; L622-S626 PolarHBondContact O-N 3.34Å; L622-S626 PolarHBondContact O-OG 3.44Å; L622-P662 HydrophobicContact CB-CB 3.95Å; L622-P662 HydrophobicContact CB-CG 4.25Å; L622-V665 HydrophobicContact CD1-CB 4.07Å; L622-V665 HydrophobicContact CD1-CG1 3.66Å; L622-T666 HydrophobicContact CD1-CG2 4.47Å; L622-F709 HydrophobicContact CD2-CD2 4.34Å; L622-P712 HydrophobicContact CD2-CB 4.35Å |
| 623 | A | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F619 L621 F625 S626 W627 W659 P662 | F619-A623 VanDerWaalsContact O-CB 3.29Å; F619-A623 WeakPolarHBondContact O-CB 3.3Å; F619-A623 PolarHBondContact O-N 3.45Å; L621-A623 VanDerWaalsContact C-N 3.28Å; L621-A623 PolarHBondContact O-N 2.91Å; A623-F625 VanDerWaalsContact C-N 3.35Å; A623-F625 PolarHBondContact O-N 2.98Å; A623-S626 PolarHBondContact O-N 2.87Å; A623-W627 WeakPolarHBondContact O-CB 3.45Å; A623-W627 VanDerWaalsContact O-CD1 3.26Å; A623-W627 PolarHBondContact O-N 2.97Å; A623-W659 HydrophobicContact CB-CE3 3.66Å; A623-W659 HydrophobicContact CB-CZ3 3.52Å; A623-P662 VanDerWaalsContact CA-CG 3.47Å; A623-P662 HydrophobicContact CB-CB 4.19Å; A623-P662 HydrophobicContact CB-CG 3.94Å |
| 624 | T | 87.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | S565 L566 F620 L621 N628 | S565-T624 VanDerWaalsContact CB-OG1 3.32Å; S565-T624 WeakPolarHBondContact CB-OG1 3.39Å; S565-T624 VanDerWaalsContact OG-CA 3.29Å; S565-T624 WeakPolarHBondContact OG-CA 3.44Å; S565-T624 WeakPolarHBondContact OG-CB 3.31Å; S565-T624 PolarHBondContact OG-OG1 2.87Å; L566-T624 HydrophobicContact CB-CG2 4.17Å; L566-T624 PolarHBondContact N-OG1 3.31Å; F620-T624 WeakPolarHBondContact O-CB 3.16Å; F620-T624 PolarHBondContact O-N 3.5Å; F620-T624 PolarHBondContact O-OG1 3.45Å; L621-T624 WeakPolarHBondContact O-CB 3.49Å; L621-T624 PolarHBondContact O-N 3.24Å; L621-T624 VanDerWaalsContact O-N 3.13Å; T624-N628 WeakPolarHBondContact O-CB 3.5Å; T624-N628 PolarHBondContact O-N 3.3Å; T624-N628 PolarHBondContact O-ND2 3.23Å |
| 625 | F | 85.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 15.8 Ų | 15.8 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | 174 | -73.8 | -68.5 | 0 | 0 | 0 | 113.5 | L621 L622 A623 N628 S629 L713 V716 L717 W764 | L621-F625 HydrophobicContact CD1-CD2 4.16Å; L621-F625 HydrophobicContact CD1-CE2 3.6Å; L621-F625 HydrophobicContact CD1-CZ 4.46Å; L621-F625 HydrophobicContact CG-CD2 4.21Å; L621-F625 HydrophobicContact CG-CE2 3.81Å; L621-F625 WeakPolarHBondContact O-CD2 3.27Å; L621-F625 PolarHBondContact O-N 2.93Å; L621-F625 VanDerWaalsContact O-N 3.12Å; L622-F625 PolarHBondContact O-N 3.37Å; A623-F625 VanDerWaalsContact C-N 3.35Å; A623-F625 PolarHBondContact O-N 2.98Å; F625-N628 PolarHBondContact O-N 3.23Å; F625-S629 WeakPolarHBondContact O-CB 3.36Å; F625-S629 PolarHBondContact O-N 3.09Å; F625-S629 PolarHBondContact O-OG 3.36Å; F625-L713 HydrophobicContact CD1-CD1 3.98Å; F625-L713 HydrophobicContact CD2-CD1 3.57Å; F625-L713 HydrophobicContact CE1-CD1 3.76Å; F625-L713 HydrophobicContact CE2-CD1 3.32Å; F625-L713 HydrophobicContact CE2-CD2 4.5Å; F625-L713 HydrophobicContact CG-CD1 3.88Å; F625-L713 HydrophobicContact CZ-CD1 3.41Å; F625-L713 VanDerWaalsContact CZ-CD1 3.41Å; F625-V716 HydrophobicContact CB-CG1 3.89Å; F625-L717 HydrophobicContact CD1-CD2 4.33Å; F625-L717 HydrophobicContact CE1-CD2 3.85Å; F625-W764 HydrophobicContact CE1-CB 3.87Å; F625-W764 AromaticContact CE1-CD1 3.7Å; F625-W764 HydrophobicContact CE1-CD2 4.12Å; F625-W764 AromaticContact CE1-CG 3.62Å; F625-W764 HydrophobicContact CE1-CG 3.62Å; F625-W764 HydrophobicContact CE2-CD2 4.39Å; F625-W764 HydrophobicContact CZ-CB 3.91Å; F625-W764 AromaticContact CZ-CD1 3.75Å; F625-W764 AromaticContact CZ-CD2 3.41Å; F625-W764 HydrophobicContact CZ-CD2 3.41Å; F625-W764 VanDerWaalsContact CZ-CD2 3.41Å; F625-W764 AromaticContact CZ-CE2 3.63Å; F625-W764 AromaticContact CZ-CE3 3.88Å; F625-W764 HydrophobicContact CZ-CE3 3.88Å; F625-W764 AromaticContact CZ-CG 3.43Å; F625-W764 HydrophobicContact CZ-CG 3.43Å; F625-W764 VanDerWaalsContact CZ-CG 3.43Å; F625-W764 HydrophobicContact CZ-CZ2 4.19Å; F625-W764 HydrophobicContact CZ-CZ3 4.44Å; F625-W764 AromaticContact CZ-NE1 3.89Å |
| 626 | S | 88.9 | Confident | 85 | Confident | 12 Ų | 12 | 15.8 Ų | 15.8 | 8% | 0.084 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L622 A623 S629 M630 P662 | L622-S626 WeakPolarHBondContact O-CB 3.37Å; L622-S626 PolarHBondContact O-N 3.34Å; L622-S626 PolarHBondContact O-OG 3.44Å; A623-S626 PolarHBondContact O-N 2.87Å; S626-S629 WeakPolarHBondContact O-CB 3.48Å; S626-S629 PolarHBondContact O-N 2.93Å; S626-M630 WeakPolarHBondContact O-CG 3.44Å; S626-M630 PolarHBondContact O-N 2.97Å; S626-P662 WeakPolarHBondContact OG-CG 3.32Å |
| 627 | W | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.1 | -37.8 | 175.5 | -79.5 | 110.7 | 0 | 0 | 0 | 113.6 | C561 I562 A623 S629 M630 Y631 S654 W655 G658 W659 | C561-W627 HydrophobicContact CB-CD2 3.43Å; C561-W627 VanDerWaalsContact CB-CD2 3.43Å; C561-W627 HydrophobicContact CB-CE3 3.76Å; C561-W627 HydrophobicContact CB-CG 3.8Å; C561-W627 HydrophobicContact CB-CH2 4.28Å; C561-W627 HydrophobicContact CB-CZ2 4Å; C561-W627 HydrophobicContact CB-CZ3 4.17Å; I562-W627 HydrophobicContact CG1-CB 3.71Å; A623-W627 WeakPolarHBondContact O-CB 3.45Å; A623-W627 VanDerWaalsContact O-CD1 3.26Å; A623-W627 PolarHBondContact O-N 2.97Å; W627-S629 VanDerWaalsContact C-N 3.26Å; W627-S629 PolarHBondContact O-N 3.38Å; W627-M630 HydrophobicContact CE3-CB 4.4Å; W627-M630 PolarHBondContact O-N 2.91Å; W627-Y631 WeakPolarHBondContact O-CB 3.2Å; W627-Y631 PolarHBondContact O-N 3.12Å; W627-S654 WeakPolarHBondContact CH2-O 3.36Å; W627-W655 HydrophobicContact CH2-CD2 4.38Å; W627-W655 HydrophobicContact CH2-CG 4.26Å; W627-W655 HydrophobicContact CZ2-CD2 4.4Å; W627-G658 PolarHBondContact NE1-O 3.01Å; W627-W659 AromaticContact CE2-CD1 3.97Å; W627-W659 AromaticContact CE2-NE1 3.7Å; W627-W659 AromaticContact CZ2-CD1 3.6Å; W627-W659 HydrophobicContact CZ2-CG 4.44Å; W627-W659 AromaticContact CZ2-NE1 3.48Å; W627-W659 AromaticContact NE1-CD1 3.71Å; W627-W659 AromaticContact NE1-CD2 3.55Å; W627-W659 AromaticContact NE1-CE2 3.3Å; W627-W659 VanDerWaalsContact NE1-CE2 3.3Å; W627-W659 AromaticContact NE1-CG 3.83Å; W627-W659 AromaticContact NE1-CZ2 3.76Å; W627-W659 AromaticContact NE1-NE1 3.39Å |
| 628 | N | 84.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 170 | -76 | -21.9 | 0 | 0 | 0 | 111.1 | I562 T624 F625 Y631 G632 L759 L760 | I562-N628 VanDerWaalsContact CD1-OD1 3.26Å; I562-N628 WeakPolarHBondContact CD1-OD1 3.42Å; I562-N628 WeakPolarHBondContact CG1-OD1 3.27Å; I562-N628 VanDerWaalsContact CG2-OD1 3.25Å; I562-N628 WeakPolarHBondContact CG2-OD1 3.44Å; T624-N628 WeakPolarHBondContact O-CB 3.5Å; T624-N628 PolarHBondContact O-N 3.3Å; T624-N628 PolarHBondContact O-ND2 3.23Å; F625-N628 PolarHBondContact O-N 3.23Å; N628-Y631 PolarHBondContact O-N 2.89Å; N628-G632 PolarHBondContact O-N 3.35Å; N628-L759 VanDerWaalsContact CG-O 3.22Å; N628-L759 PolarHBondContact ND2-O 3.04Å; N628-L760 WeakPolarHBondContact O-CD2 3.35Å |
| 629 | S | 83.9 | Confident | 83 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 178 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | F625 S626 W627 Y631 G632 T633 V716 N720 | F625-S629 WeakPolarHBondContact O-CB 3.36Å; F625-S629 PolarHBondContact O-N 3.09Å; F625-S629 PolarHBondContact O-OG 3.36Å; S626-S629 WeakPolarHBondContact O-CB 3.48Å; S626-S629 PolarHBondContact O-N 2.93Å; W627-S629 VanDerWaalsContact C-N 3.26Å; W627-S629 PolarHBondContact O-N 3.38Å; S629-Y631 VanDerWaalsContact C-N 3.29Å; S629-Y631 PolarHBondContact O-N 2.93Å; S629-G632 WeakPolarHBondContact O-CA 3.5Å; S629-G632 PolarHBondContact O-N 3.04Å; S629-G632 VanDerWaalsContact O-N 3.12Å; S629-T633 PolarHBondContact O-N 3.36Å; S629-T633 PolarHBondContact O-OG1 2.97Å; S629-V716 WeakPolarHBondContact OG-CG1 3.11Å; S629-N720 VanDerWaalsContact CA-OD1 3.31Å; S629-N720 WeakPolarHBondContact CA-OD1 3.44Å; S629-N720 WeakPolarHBondContact CB-OD1 3.39Å; S629-N720 PolarHBondContact OG-ND2 3.49Å; S629-N720 PolarHBondContact OG-OD1 3.21Å |
| 630 | M | 85.7 | Confident | 81.8 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.9 | -39.1 | 174.8 | -69.1 | -62 | 96.8 | 0 | 0 | 112.3 | S626 W627 Q634 V657 | S626-M630 WeakPolarHBondContact O-CG 3.44Å; S626-M630 PolarHBondContact O-N 2.97Å; W627-M630 HydrophobicContact CE3-CB 4.4Å; W627-M630 PolarHBondContact O-N 2.91Å; M630-Q634 WeakPolarHBondContact O-CB 3.31Å; M630-Q634 PolarHBondContact O-N 3.2Å; M630-V657 HydrophobicContact CE-CB 4.45Å; M630-V657 HydrophobicContact CE-CG1 3.88Å; M630-V657 HydrophobicContact SD-CB 4.06Å; M630-V657 HydrophobicContact SD-CG1 4.11Å |
| 631 | Y | 82.9 | Confident | 80.5 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 11% | 0.114 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.2 | -177.6 | -94.9 | 0 | 0 | 0 | 112.3 | L559 I562 W627 N628 S629 Q634 V635 L756 L759 F800 | L559-Y631 HydrophobicContact CB-CD2 4.37Å; L559-Y631 HydrophobicContact CB-CE2 4.18Å; I562-Y631 HydrophobicContact CD1-CG 4.07Å; W627-Y631 WeakPolarHBondContact O-CB 3.2Å; W627-Y631 PolarHBondContact O-N 3.12Å; N628-Y631 PolarHBondContact O-N 2.89Å; S629-Y631 VanDerWaalsContact C-N 3.29Å; S629-Y631 PolarHBondContact O-N 2.93Å; Y631-Q634 WeakPolarHBondContact O-CB 3.48Å; Y631-Q634 PolarHBondContact O-N 3.26Å; Y631-V635 HydrophobicContact CD1-CG2 4.3Å; Y631-V635 HydrophobicContact CE1-CG2 3.86Å; Y631-V635 WeakPolarHBondContact O-CG2 3.23Å; Y631-V635 PolarHBondContact O-N 3.07Å; Y631-L756 HydrophobicContact CE1-CD1 4.39Å; Y631-L759 HydrophobicContact CD1-CD1 3.9Å; Y631-L759 HydrophobicContact CE1-CD1 3.48Å; Y631-L759 VanDerWaalsContact CE1-CD1 3.48Å; Y631-F800 WeakPolarHBondContact OH-CE1 3.41Å |
| 632 | G | 79.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.1 | -53.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N628 S629 Q634 V635 V636 | N628-G632 PolarHBondContact O-N 3.35Å; S629-G632 WeakPolarHBondContact O-CA 3.5Å; S629-G632 PolarHBondContact O-N 3.04Å; S629-G632 VanDerWaalsContact O-N 3.12Å; G632-Q634 VanDerWaalsContact C-N 3.29Å; G632-Q634 PolarHBondContact O-N 2.97Å; G632-V635 PolarHBondContact O-N 3.39Å; G632-V636 WeakPolarHBondContact O-CG2 3.46Å; G632-V636 PolarHBondContact O-N 3.49Å |
| 633 | T | 81.8 | Confident | 77.8 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 178.3 | -39.5 | 0 | 0 | 0 | 0 | 111.1 | S629 V635 V636 L637 W650 Y719 | S629-T633 PolarHBondContact O-N 3.36Å; S629-T633 PolarHBondContact O-OG1 2.97Å; T633-V635 PolarHBondContact O-N 2.86Å; T633-V636 PolarHBondContact O-N 3.12Å; T633-L637 HydrophobicContact CG2-CD1 4.17Å; T633-L637 HydrophobicContact CG2-CG 4.44Å; T633-L637 WeakPolarHBondContact O-CB 3.27Å; T633-L637 VanDerWaalsContact O-CG 3.27Å; T633-L637 WeakPolarHBondContact O-CG 3.33Å; T633-L637 PolarHBondContact O-N 2.74Å; T633-W650 HydrophobicContact CG2-CH2 3.73Å; T633-W650 HydrophobicContact CG2-CZ3 4.44Å; T633-Y719 PolarHBondContact OG1-OH 3.29Å |
| 634 | Q | 79.5 | Confident | 76.1 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.5 | -174.6 | -166.2 | -60.1 | 0 | 0 | 112.1 | S555 S558 M630 Y631 G632 L638 L646 W650 | S555-Q634 PolarHBondContact O-NE2 3.11Å; S555-Q634 PolarHBondContact OG-NE2 3.3Å; S558-Q634 PolarHBondContact OG-OE1 3.48Å; M630-Q634 WeakPolarHBondContact O-CB 3.31Å; M630-Q634 PolarHBondContact O-N 3.2Å; Y631-Q634 WeakPolarHBondContact O-CB 3.48Å; Y631-Q634 PolarHBondContact O-N 3.26Å; G632-Q634 VanDerWaalsContact C-N 3.29Å; G632-Q634 PolarHBondContact O-N 2.97Å; Q634-L638 HydrophobicContact CG-CD1 4.4Å; Q634-L638 WeakPolarHBondContact O-CB 3.39Å; Q634-L638 WeakPolarHBondContact O-CG 3.42Å; Q634-L638 PolarHBondContact O-N 2.88Å; Q634-L638 VanDerWaalsContact O-N 3.13Å; Q634-L646 HydrophobicContact CG-CD2 3.79Å; Q634-W650 HydrophobicContact CB-CZ2 4.09Å |
| 635 | V | 75.9 | Confident | 74.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | Y631 G632 T633 L637 L638 V639 L756 | Y631-V635 HydrophobicContact CD1-CG2 4.3Å; Y631-V635 HydrophobicContact CE1-CG2 3.86Å; Y631-V635 WeakPolarHBondContact O-CG2 3.23Å; Y631-V635 PolarHBondContact O-N 3.07Å; G632-V635 PolarHBondContact O-N 3.39Å; T633-V635 PolarHBondContact O-N 2.86Å; V635-L637 PolarHBondContact O-N 3.32Å; V635-L638 PolarHBondContact O-N 2.76Å; V635-V639 HydrophobicContact CG1-CG2 4.4Å; V635-V639 WeakPolarHBondContact O-CG2 3.42Å; V635-V639 PolarHBondContact O-N 3.02Å; V635-L756 HydrophobicContact CG1-CD2 4.41Å |
| 636 | V | 75.6 | Confident | 73.9 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 178.1 | 168.8 | 0 | 0 | 0 | 0 | 112 | G632 T633 V639 R640 L723 T727 | G632-V636 WeakPolarHBondContact O-CG2 3.46Å; G632-V636 PolarHBondContact O-N 3.49Å; T633-V636 PolarHBondContact O-N 3.12Å; V636-V639 PolarHBondContact O-N 2.98Å; V636-R640 WeakPolarHBondContact O-CB 3.3Å; V636-R640 PolarHBondContact O-N 3.48Å; V636-L723 HydrophobicContact CB-CD2 4.49Å; V636-L723 HydrophobicContact CG2-CB 4.43Å; V636-L723 HydrophobicContact CG2-CD2 4.08Å; V636-T727 WeakPolarHBondContact CG2-OG1 3.36Å |
| 637 | L | 76.1 | Confident | 73 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 177.6 | -71.9 | 170.9 | 0 | 0 | 0 | 112 | T633 V635 V639 S641 W650 | T633-L637 HydrophobicContact CG2-CD1 4.17Å; T633-L637 HydrophobicContact CG2-CG 4.44Å; T633-L637 WeakPolarHBondContact O-CB 3.27Å; T633-L637 VanDerWaalsContact O-CG 3.27Å; T633-L637 WeakPolarHBondContact O-CG 3.33Å; T633-L637 PolarHBondContact O-N 2.74Å; V635-L637 PolarHBondContact O-N 3.32Å; L637-V639 PolarHBondContact O-N 3.25Å; L637-S641 VanDerWaalsContact O-CB 3.25Å; L637-S641 WeakPolarHBondContact O-CB 3.45Å; L637-S641 PolarHBondContact O-N 2.69Å; L637-W650 HydrophobicContact CD1-CE3 3.99Å; L637-W650 HydrophobicContact CD1-CH2 3.77Å; L637-W650 HydrophobicContact CD1-CZ2 4.49Å; L637-W650 HydrophobicContact CD1-CZ3 3.47Å; L637-W650 VanDerWaalsContact CD1-CZ3 3.47Å |
| 638 | L | 72 | Confident | 72.2 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.5 | -78.7 | 167.9 | 0 | 0 | 0 | 112.2 | Q634 V635 M642 Q643 L646 | Q634-L638 HydrophobicContact CG-CD1 4.4Å; Q634-L638 WeakPolarHBondContact O-CB 3.39Å; Q634-L638 WeakPolarHBondContact O-CG 3.42Å; Q634-L638 PolarHBondContact O-N 2.88Å; Q634-L638 VanDerWaalsContact O-N 3.13Å; V635-L638 PolarHBondContact O-N 2.76Å; L638-M642 PolarHBondContact O-N 2.91Å; L638-Q643 WeakPolarHBondContact CD2-O 3.25Å; L638-L646 HydrophobicContact CD1-CD1 4.38Å; L638-L646 HydrophobicContact CD2-CD1 3.79Å; L638-L646 HydrophobicContact CG-CD1 4.23Å |
| 639 | V | 70.1 | Confident | 71.8 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 42% | 0.418 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.6 | -51.4 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | V635 V636 L637 S641 | V635-V639 HydrophobicContact CG1-CG2 4.4Å; V635-V639 WeakPolarHBondContact O-CG2 3.42Å; V635-V639 PolarHBondContact O-N 3.02Å; V636-V639 PolarHBondContact O-N 2.98Å; L637-V639 PolarHBondContact O-N 3.25Å; V639-S641 PolarHBondContact O-N 3.34Å |
| 640 | R | 67.2 | Low | 71.6 | Confident | 199 Ų | 199 | 72 Ų | 72 | 75% | 0.751 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.5 | -35.9 | -174.5 | -176.9 | 179 | 173 | 94.9 | -0.3 | 113.3 | V636 | V636-R640 WeakPolarHBondContact O-CB 3.3Å; V636-R640 PolarHBondContact O-N 3.48Å |
| 641 | S | 62.7 | Low | 71.2 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -94.7 | -6.3 | -175.1 | -162.8 | 0 | 0 | 0 | 0 | 114.3 | L637 V639 Q643 | L637-S641 VanDerWaalsContact O-CB 3.25Å; L637-S641 WeakPolarHBondContact O-CB 3.45Å; L637-S641 PolarHBondContact O-N 2.69Å; V639-S641 PolarHBondContact O-N 3.34Å; S641-Q643 PolarHBondContact O-N 3.4Å |
| 642 | M | 59.6 | Low | 71.1 | Confident | 173 Ų | 173 | 80.7 Ų | 80.7 | 85% | 0.852 | 39% | 0.394 | S | S | * | . | trans | 48 | 21.5 | -170.1 | -60.7 | -158.9 | -65.2 | 0 | 0 | 114.7 | L638 | L638-M642 PolarHBondContact O-N 2.91Š| ||
| 643 | Q | 55.1 | Low | 71.3 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | trans | -90.3 | 130 | -163.8 | -155.7 | 170.8 | 20.8 | 0 | 0 | 110.6 | L638 S641 S645 | L638-Q643 WeakPolarHBondContact CD2-O 3.25Å; S641-Q643 PolarHBondContact O-N 3.4Å; Q643-S645 PolarHBondContact O-N 2.9Å; Q643-S645 VanDerWaalsContact O-N 3.13Å | ||
| 644 | R | 55.9 | Low | 71.4 | Confident | 244 Ų | 244 | 83.7 Ų | 83.7 | 92% | 0.921 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -71.1 | -3.7 | -176.3 | -70.4 | -178.2 | 176.4 | 159.4 | -0.5 | 114.8 | ||
| 645 | S | 59.9 | Low | 71.7 | Confident | 59 Ų | 59 | 89.9 Ų | 89.9 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -155.2 | 140.6 | -174.2 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | Q643 | Q643-S645 PolarHBondContact O-N 2.9Å; Q643-S645 VanDerWaalsContact O-N 3.13Å |
| 646 | L | 66.9 | Low | 72.3 | Confident | 35 Ų | 35 | 90.6 Ų | 90.6 | 18% | 0.183 | 45% | 0.446 | C | S | . | . | trans | -78.4 | 159.1 | 178 | -69 | 63.9 | 0 | 0 | 0 | 110.9 | Q634 L638 W650 | Q634-L646 HydrophobicContact CG-CD2 3.79Å; L638-L646 HydrophobicContact CD1-CD1 4.38Å; L638-L646 HydrophobicContact CD2-CD1 3.79Å; L638-L646 HydrophobicContact CG-CD1 4.23Å; L646-W650 HydrophobicContact CB-CB 4.33Å; L646-W650 HydrophobicContact CB-CG 4.45Å; L646-W650 VanDerWaalsContact CD2-CD1 3.43Å; L646-W650 HydrophobicContact CD2-CG 3.97Å | ||
| 647 | P | 69.6 | Low | 73 | Confident | 47 Ų | 47 | 91.7 Ų | 91.7 | 31% | 0.305 | 45% | 0.452 | S | S | . | . | trans | -58.1 | 145.7 | 173.3 | -23.9 | 34 | 0 | 0 | 0 | 113.2 | Y649 W650 | P647-Y649 HydrophobicContact CB-CD1 3.76Å; P647-Y649 HydrophobicContact CB-CE1 3.37Å; P647-Y649 HydrophobicContact CB-CE2 4.49Å; P647-Y649 HydrophobicContact CB-CG 4.46Å; P647-Y649 HydrophobicContact CG-CE1 4.19Å; P647-Y649 PolarHBondContact O-N 3.2Å; P647-Y649 VanDerWaalsContact O-N 3.16Å; P647-W650 WeakPolarHBondContact O-CB 3.26Å; P647-W650 PolarHBondContact O-N 3.27Å | ||
| 648 | S | 70.4 | Confident | 73.6 | Confident | 115 Ų | 115 | 88.1 Ų | 88.1 | 80% | 0.804 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.4 | -176.2 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 649 | Y | 77 | Confident | 74.5 | Confident | 129 Ų | 129 | 88.1 Ų | 88.1 | 51% | 0.506 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -16 | 174.1 | 66.1 | -95.2 | 0 | 0 | 0 | 113.6 | P647 T651 R652 L653 | P647-Y649 HydrophobicContact CB-CD1 3.76Å; P647-Y649 HydrophobicContact CB-CE1 3.37Å; P647-Y649 HydrophobicContact CB-CE2 4.49Å; P647-Y649 HydrophobicContact CB-CG 4.46Å; P647-Y649 HydrophobicContact CG-CE1 4.19Å; P647-Y649 PolarHBondContact O-N 3.2Å; P647-Y649 VanDerWaalsContact O-N 3.16Å; Y649-T651 PolarHBondContact O-N 3.49Å; Y649-R652 PolarHBondContact O-N 3.22Å; Y649-R652 VanDerWaalsContact O-N 3.11Å; Y649-L653 HydrophobicContact CE2-CD2 4.32Å; Y649-L653 PolarHBondContact O-N 2.92Å; Y649-L653 VanDerWaalsContact O-N 3.08Å |
| 650 | W | 79.1 | Confident | 75.6 | Confident | 14 Ų | 14 | 86.3 Ų | 86.3 | 5% | 0.053 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.4 | -49 | -169.8 | -178.8 | -93.8 | 0 | 0 | 0 | 112.4 | T633 Q634 L637 L646 P647 R652 L653 S654 | T633-W650 HydrophobicContact CG2-CH2 3.73Å; T633-W650 HydrophobicContact CG2-CZ3 4.44Å; Q634-W650 HydrophobicContact CB-CZ2 4.09Å; L637-W650 HydrophobicContact CD1-CE3 3.99Å; L637-W650 HydrophobicContact CD1-CH2 3.77Å; L637-W650 HydrophobicContact CD1-CZ2 4.49Å; L637-W650 HydrophobicContact CD1-CZ3 3.47Å; L637-W650 VanDerWaalsContact CD1-CZ3 3.47Å; L646-W650 HydrophobicContact CB-CB 4.33Å; L646-W650 HydrophobicContact CB-CG 4.45Å; L646-W650 VanDerWaalsContact CD2-CD1 3.43Å; L646-W650 HydrophobicContact CD2-CG 3.97Å; P647-W650 WeakPolarHBondContact O-CB 3.26Å; P647-W650 PolarHBondContact O-N 3.27Å; W650-R652 VanDerWaalsContact C-N 3.31Å; W650-R652 PolarHBondContact O-N 3.37Å; W650-L653 HydrophobicContact CZ3-CD2 4.45Å; W650-L653 WeakPolarHBondContact O-CB 3.36Å; W650-L653 PolarHBondContact O-N 3.36Å; W650-L653 VanDerWaalsContact O-N 3.07Å; W650-S654 PolarHBondContact NE1-OG 3.44Å; W650-S654 VanDerWaalsContact NE1-OG 3.13Å; W650-S654 PolarHBondContact O-N 3.1Å; W650-S654 PolarHBondContact O-OG 3.05Å |
| 651 | T | 77.4 | Confident | 76.6 | Confident | 35 Ų | 35 | 80.6 Ų | 80.6 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | -179 | -44.6 | 0 | 0 | 0 | 0 | 111.9 | N554 Y649 S654 W655 | N554-T651 PolarHBondContact OD1-OG1 3.31Å; Y649-T651 PolarHBondContact O-N 3.49Å; T651-S654 PolarHBondContact O-N 2.9Å; T651-W655 VanDerWaalsContact O-CD1 3.26Å; T651-W655 PolarHBondContact O-N 2.84Å; T651-W655 VanDerWaalsContact O-N 3.14Å |
| 652 | R | 80.9 | Confident | 78 | Confident | 197 Ų | 197 | 77.4 Ų | 77.4 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 176.3 | -71.3 | -170.7 | -71.5 | 158.9 | -2.5 | 111.8 | Y649 W650 G656 | Y649-R652 PolarHBondContact O-N 3.22Å; Y649-R652 VanDerWaalsContact O-N 3.11Å; W650-R652 VanDerWaalsContact C-N 3.31Å; W650-R652 PolarHBondContact O-N 3.37Å; R652-G656 PolarHBondContact O-N 3.13Å; R652-G656 VanDerWaalsContact O-N 3.1Å |
| 653 | L | 84.8 | Confident | 79.6 | Confident | 80 Ų | 80 | 71 Ų | 71 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.7 | -178.2 | 63.8 | 0 | 0 | 0 | 111.7 | Y649 W650 W655 G656 V657 | Y649-L653 HydrophobicContact CE2-CD2 4.32Å; Y649-L653 PolarHBondContact O-N 2.92Å; Y649-L653 VanDerWaalsContact O-N 3.08Å; W650-L653 HydrophobicContact CZ3-CD2 4.45Å; W650-L653 WeakPolarHBondContact O-CB 3.36Å; W650-L653 PolarHBondContact O-N 3.36Å; W650-L653 VanDerWaalsContact O-N 3.07Å; L653-W655 PolarHBondContact O-N 3.05Å; L653-G656 PolarHBondContact O-N 3.12Å; L653-V657 HydrophobicContact CD1-CG2 3.92Å; L653-V657 HydrophobicContact CG-CG2 4.37Å; L653-V657 WeakPolarHBondContact O-CG2 3.3Å; L653-V657 PolarHBondContact O-N 3.36Å |
| 654 | S | 84.3 | Confident | 81.3 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | W627 W650 T651 G658 | W627-S654 WeakPolarHBondContact CH2-O 3.36Å; W650-S654 PolarHBondContact NE1-OG 3.44Å; W650-S654 VanDerWaalsContact NE1-OG 3.13Å; W650-S654 PolarHBondContact O-N 3.1Å; W650-S654 PolarHBondContact O-OG 3.05Å; T651-S654 PolarHBondContact O-N 2.9Å; S654-G658 WeakPolarHBondContact O-CA 3.18Å; S654-G658 PolarHBondContact O-N 2.86Å |
| 655 | W | 86.1 | Confident | 82.9 | Confident | 132 Ų | 132 | 60.1 Ų | 60.1 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.9 | -84.5 | 89.4 | 0 | 0 | 0 | 112.4 | T557 W627 T651 L653 W659 | T557-W655 HydrophobicContact CG2-CZ2 4.21Å; W627-W655 HydrophobicContact CH2-CD2 4.38Å; W627-W655 HydrophobicContact CH2-CG 4.26Å; W627-W655 HydrophobicContact CZ2-CD2 4.4Å; T651-W655 VanDerWaalsContact O-CD1 3.26Å; T651-W655 PolarHBondContact O-N 2.84Å; T651-W655 VanDerWaalsContact O-N 3.14Å; L653-W655 PolarHBondContact O-N 3.05Å; W655-W659 AromaticContact CE3-CD1 3.52Å; W655-W659 AromaticContact CE3-NE1 3.69Å; W655-W659 AromaticContact CZ3-CD1 3.71Å; W655-W659 AromaticContact CZ3-NE1 3.43Å; W655-W659 PolarHBondContact O-N 3.35Å |
| 656 | G | 88.6 | Confident | 84.3 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -64.5 | -46.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R652 L653 G660 | R652-G656 PolarHBondContact O-N 3.13Å; R652-G656 VanDerWaalsContact O-N 3.1Å; L653-G656 PolarHBondContact O-N 3.12Å; G656-G660 WeakPolarHBondContact O-CA 3.31Å; G656-G660 PolarHBondContact O-N 3.45Å |
| 657 | V | 89.2 | Confident | 85.3 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -75.4 | -45.3 | 179.9 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | M630 L653 W659 V661 | M630-V657 HydrophobicContact CE-CB 4.45Å; M630-V657 HydrophobicContact CE-CG1 3.88Å; M630-V657 HydrophobicContact SD-CB 4.06Å; M630-V657 HydrophobicContact SD-CG1 4.11Å; L653-V657 HydrophobicContact CD1-CG2 3.92Å; L653-V657 HydrophobicContact CG-CG2 4.37Å; L653-V657 WeakPolarHBondContact O-CG2 3.3Å; L653-V657 PolarHBondContact O-N 3.36Å; V657-W659 VanDerWaalsContact C-N 3.33Å; V657-W659 PolarHBondContact O-N 3.34Å; V657-V661 HydrophobicContact CG1-CG2 4.27Å; V657-V661 PolarHBondContact O-N 3.28Å |
| 658 | G | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -65.9 | -27.9 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | W627 S654 | W627-G658 PolarHBondContact NE1-O 3.01Å; S654-G658 WeakPolarHBondContact O-CA 3.18Å; S654-G658 PolarHBondContact O-N 2.86Å |
| 659 | W | 92.4 | Very high | 86.9 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -115.6 | -35 | 174.7 | -64.4 | 116.4 | 0 | 0 | 0 | 113.8 | F619 A623 W627 W655 V657 P662 A663 | F619-W659 HydrophobicContact CE1-CE3 4.05Å; F619-W659 AromaticContact CE1-CZ3 3.97Å; F619-W659 HydrophobicContact CE1-CZ3 3.97Å; F619-W659 HydrophobicContact CE2-CE3 4.37Å; F619-W659 AromaticContact CZ-CE3 3.56Å; F619-W659 HydrophobicContact CZ-CE3 3.56Å; F619-W659 AromaticContact CZ-CZ3 3.98Å; F619-W659 HydrophobicContact CZ-CZ3 3.98Å; A623-W659 HydrophobicContact CB-CE3 3.66Å; A623-W659 HydrophobicContact CB-CZ3 3.52Å; W627-W659 AromaticContact CE2-CD1 3.97Å; W627-W659 AromaticContact CE2-NE1 3.7Å; W627-W659 AromaticContact CZ2-CD1 3.6Å; W627-W659 HydrophobicContact CZ2-CG 4.44Å; W627-W659 AromaticContact CZ2-NE1 3.48Å; W627-W659 AromaticContact NE1-CD1 3.71Å; W627-W659 AromaticContact NE1-CD2 3.55Å; W627-W659 AromaticContact NE1-CE2 3.3Å; W627-W659 VanDerWaalsContact NE1-CE2 3.3Å; W627-W659 AromaticContact NE1-CG 3.83Å; W627-W659 AromaticContact NE1-CZ2 3.76Å; W627-W659 AromaticContact NE1-NE1 3.39Å; W655-W659 AromaticContact CE3-CD1 3.52Å; W655-W659 AromaticContact CE3-NE1 3.69Å; W655-W659 AromaticContact CZ3-CD1 3.71Å; W655-W659 AromaticContact CZ3-NE1 3.43Å; W655-W659 PolarHBondContact O-N 3.35Å; V657-W659 VanDerWaalsContact C-N 3.33Å; V657-W659 PolarHBondContact O-N 3.34Å; W659-P662 WeakPolarHBondContact O-CD 3.41Å; W659-A663 WeakPolarHBondContact O-CB 3.47Å; W659-A663 PolarHBondContact O-N 3.29Å |
| 660 | G | 91.6 | Very high | 87.2 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -70.7 | -41.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G656 A663 V664 | G656-G660 WeakPolarHBondContact O-CA 3.31Å; G656-G660 PolarHBondContact O-N 3.45Å; G660-A663 PolarHBondContact O-N 2.95Å; G660-V664 WeakPolarHBondContact O-CG2 3.35Å; G660-V664 PolarHBondContact O-N 3.46Å |
| 661 | V | 89.8 | Confident | 87.5 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 176.8 | 175 | 0 | 0 | 0 | 0 | 111.4 | V657 A663 V664 V665 | V657-V661 HydrophobicContact CG1-CG2 4.27Å; V657-V661 PolarHBondContact O-N 3.28Å; V661-A663 PolarHBondContact O-N 2.97Å; V661-V664 PolarHBondContact O-N 3.44Å; V661-V665 WeakPolarHBondContact O-CG2 3.4Å; V661-V665 PolarHBondContact O-N 3.03Å; V661-V665 VanDerWaalsContact O-N 3.09Å |
| 662 | P | 91.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.9 | -48.9 | 169.8 | -26.4 | 31.3 | 0 | 0 | 0 | 113.7 | F619 L622 A623 S626 W659 V664 V665 T666 | F619-P662 HydrophobicContact CD2-CB 3.78Å; F619-P662 HydrophobicContact CE2-CB 3.85Å; L622-P662 HydrophobicContact CB-CB 3.95Å; L622-P662 HydrophobicContact CB-CG 4.25Å; A623-P662 VanDerWaalsContact CA-CG 3.47Å; A623-P662 HydrophobicContact CB-CB 4.19Å; A623-P662 HydrophobicContact CB-CG 3.94Å; S626-P662 WeakPolarHBondContact OG-CG 3.32Å; W659-P662 WeakPolarHBondContact O-CD 3.41Å; P662-V664 PolarHBondContact O-N 2.9Å; P662-V665 PolarHBondContact O-N 2.99Å; P662-T666 WeakPolarHBondContact O-CG2 3.14Å; P662-T666 PolarHBondContact O-N 3.45Å; P662-T666 PolarHBondContact O-OG1 2.94Å |
| 663 | A | 92.2 | Very high | 87.2 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | F619 W659 G660 V661 T666 A667 | F619-A663 HydrophobicContact CD2-CB 4.48Å; F619-A663 HydrophobicContact CE2-CB 3.94Å; W659-A663 WeakPolarHBondContact O-CB 3.47Å; W659-A663 PolarHBondContact O-N 3.29Å; G660-A663 PolarHBondContact O-N 2.95Å; V661-A663 PolarHBondContact O-N 2.97Å; A663-T666 PolarHBondContact O-OG1 3.03Å; A663-A667 WeakPolarHBondContact O-CB 3.3Å; A663-A667 PolarHBondContact O-N 3.26Å |
| 664 | V | 92.1 | Very high | 86.6 | Confident | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | G660 V661 P662 I668 | G660-V664 WeakPolarHBondContact O-CG2 3.35Å; G660-V664 PolarHBondContact O-N 3.46Å; V661-V664 PolarHBondContact O-N 3.44Å; P662-V664 PolarHBondContact O-N 2.9Å; V664-I668 HydrophobicContact CG1-CD1 3.67Å; V664-I668 HydrophobicContact CG1-CG1 4.44Å; V664-I668 WeakPolarHBondContact O-CB 3.5Å; V664-I668 VanDerWaalsContact O-CG1 3.26Å; V664-I668 WeakPolarHBondContact O-CG1 3.19Å; V664-I668 PolarHBondContact O-N 3.48Å |
| 665 | V | 88.8 | Confident | 85.8 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L622 V661 P662 T669 A708 P712 | L622-V665 HydrophobicContact CD1-CB 4.07Å; L622-V665 HydrophobicContact CD1-CG1 3.66Å; V661-V665 WeakPolarHBondContact O-CG2 3.4Å; V661-V665 PolarHBondContact O-N 3.03Å; V661-V665 VanDerWaalsContact O-N 3.09Å; P662-V665 PolarHBondContact O-N 2.99Å; V665-T669 WeakPolarHBondContact O-CB 3.33Å; V665-T669 PolarHBondContact O-N 3.35Å; V665-T669 PolarHBondContact O-OG1 3.03Å; V665-A708 WeakPolarHBondContact CG1-O 3.34Å; V665-P712 HydrophobicContact CG1-CG 4.47Å |
| 666 | T | 89.4 | Confident | 84.7 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | -179.8 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | H618 F619 L622 P662 A663 T669 L670 | H618-T666 HydrophobicContact CB-CG2 4.09Å; H618-T666 VanDerWaalsContact ND1-CG2 3.34Å; H618-T666 WeakPolarHBondContact ND1-CG2 3.42Å; F619-T666 HydrophobicContact CB-CG2 3.77Å; F619-T666 HydrophobicContact CD2-CG2 4.46Å; L622-T666 HydrophobicContact CD1-CG2 4.47Å; P662-T666 WeakPolarHBondContact O-CG2 3.14Å; P662-T666 PolarHBondContact O-N 3.45Å; P662-T666 PolarHBondContact O-OG1 2.94Å; A663-T666 PolarHBondContact O-OG1 3.03Å; T666-T669 PolarHBondContact O-N 3.14Å; T666-L670 WeakPolarHBondContact O-CB 3.5Å; T666-L670 PolarHBondContact O-N 3.05Å |
| 667 | A | 88.8 | Confident | 83 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A663 T669 A671 | A663-A667 WeakPolarHBondContact O-CB 3.3Å; A663-A667 PolarHBondContact O-N 3.26Å; A667-T669 VanDerWaalsContact C-N 3.33Å; A667-A671 VanDerWaalsContact O-CB 3.29Å; A667-A671 WeakPolarHBondContact O-CB 3.2Å; A667-A671 PolarHBondContact O-N 2.86Å |
| 668 | I | 88.1 | Confident | 81.6 | Confident | 111 Ų | 111 | 66.4 Ų | 66.4 | 57% | 0.569 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 174.9 | -70.4 | 169.9 | 0 | 0 | 0 | 110.4 | V664 A671 A672 | V664-I668 HydrophobicContact CG1-CD1 3.67Å; V664-I668 HydrophobicContact CG1-CG1 4.44Å; V664-I668 WeakPolarHBondContact O-CB 3.5Å; V664-I668 VanDerWaalsContact O-CG1 3.26Å; V664-I668 WeakPolarHBondContact O-CG1 3.19Å; V664-I668 PolarHBondContact O-N 3.48Å; I668-A671 PolarHBondContact O-N 3.17Å; I668-A672 VanDerWaalsContact O-CB 3.24Å; I668-A672 WeakPolarHBondContact O-CB 3.27Å; I668-A672 PolarHBondContact O-N 3.47Å |
| 669 | T | 85.5 | Confident | 80.3 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 179.6 | -52.3 | 0 | 0 | 0 | 0 | 111 | V665 T666 A667 A671 A672 T673 Y682 L690 P704 A708 | V665-T669 WeakPolarHBondContact O-CB 3.33Å; V665-T669 PolarHBondContact O-N 3.35Å; V665-T669 PolarHBondContact O-OG1 3.03Å; T666-T669 PolarHBondContact O-N 3.14Å; A667-T669 VanDerWaalsContact C-N 3.33Å; T669-A671 PolarHBondContact O-N 3.34Å; T669-A672 PolarHBondContact O-N 3.01Å; T669-T673 PolarHBondContact O-N 3.27Å; T669-T673 PolarHBondContact O-OG1 2.84Å; T669-Y682 HydrophobicContact CG2-CD2 4.34Å; T669-Y682 HydrophobicContact CG2-CE2 3.93Å; T669-L690 HydrophobicContact CG2-CD2 4.34Å; T669-P704 HydrophobicContact CG2-CB 4.11Å; T669-A708 HydrophobicContact CG2-CB 3.4Å; T669-A708 WeakPolarHBondContact OG1-CB 3.28Å |
| 670 | L | 83.5 | Confident | 78.6 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 178.2 | -171.2 | 72.9 | 0 | 0 | 0 | 110.8 | T666 A672 T673 Y674 Y682 | T666-L670 WeakPolarHBondContact O-CB 3.5Å; T666-L670 PolarHBondContact O-N 3.05Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 2.96Å; L670-T673 PolarHBondContact O-N 3.5Å; L670-Y674 HydrophobicContact CD1-CG 4.29Å; L670-Y674 WeakPolarHBondContact O-CB 3.22Å; L670-Y674 PolarHBondContact O-N 3.49Å; L670-Y682 HydrophobicContact CD1-CD1 3.89Å; L670-Y682 HydrophobicContact CD1-CE1 3.47Å; L670-Y682 VanDerWaalsContact CD1-CE1 3.47Å; L670-Y682 HydrophobicContact CD1-CE2 4.32Å; L670-Y682 HydrophobicContact CD1-CG 4.46Å |
| 671 | A | 83.5 | Confident | 77.1 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 72% | 0.719 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.9 | -30.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A667 I668 T669 | A667-A671 VanDerWaalsContact O-CB 3.29Å; A667-A671 WeakPolarHBondContact O-CB 3.2Å; A667-A671 PolarHBondContact O-N 2.86Å; I668-A671 PolarHBondContact O-N 3.17Å; T669-A671 PolarHBondContact O-N 3.34Å |
| 672 | A | 79 | Confident | 75.9 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -81 | -33.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I668 T669 L670 | I668-A672 VanDerWaalsContact O-CB 3.24Å; I668-A672 WeakPolarHBondContact O-CB 3.27Å; I668-A672 PolarHBondContact O-N 3.47Å; T669-A672 PolarHBondContact O-N 3.01Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 2.96Å |
| 673 | T | 73.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -118.4 | -21.8 | -169.8 | 60.9 | 0 | 0 | 0 | 0 | 115.7 | T669 L670 R675 Y682 P704 | T669-T673 PolarHBondContact O-N 3.27Å; T669-T673 PolarHBondContact O-OG1 2.84Å; L670-T673 PolarHBondContact O-N 3.5Å; T673-R675 PolarHBondContact O-N 3.03Å; T673-Y682 VanDerWaalsContact OG1-CD2 3.28Å; T673-Y682 WeakPolarHBondContact OG1-CD2 3.49Å; T673-P704 HydrophobicContact CG2-CB 4.19Å; T673-P704 HydrophobicContact CG2-CG 4.49Å |
| 674 | Y | 73.8 | Confident | 73.4 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | trans | -73.2 | 124.2 | 176.8 | 179.8 | -102.2 | 0 | 0 | 0 | 111.1 | T611 L670 V676 | T611-Y674 HydrophobicContact CG2-CD2 4.06Å; T611-Y674 HydrophobicContact CG2-CE2 3.89Å; L670-Y674 HydrophobicContact CD1-CG 4.29Å; L670-Y674 WeakPolarHBondContact O-CB 3.22Å; L670-Y674 PolarHBondContact O-N 3.49Å; Y674-V676 HydrophobicContact CE1-CG2 4.03Å | ||
| 675 | R | 67.6 | Low | 71.7 | Confident | 176 Ų | 176 | 62.2 Ų | 62.2 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | trans | -136.2 | 129.9 | 168.3 | -65.9 | -175.2 | 178 | -172.2 | -0.4 | 108.5 | T673 K677 N678 | T673-R675 PolarHBondContact O-N 3.03Å; R675-K677 PolarHBondContact O-N 2.91Å; R675-N678 CarbonylContact O-C 3.44Å; R675-N678 PolarHBondContact O-N 3.42Å | ||
| 676 | V | 61.3 | Low | 70.1 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 71% | 0.709 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -33.2 | -179.1 | -177 | 0 | 0 | 0 | 0 | 112.7 | Y674 | Y674-V676 HydrophobicContact CE1-CG2 4.03Š|
| 677 | K | 53 | Low | 68.6 | Low | 172 Ų | 172 | 62.5 Ų | 62.5 | 75% | 0.748 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.8 | 177.7 | -62.9 | -162.4 | 173.7 | -158.1 | 0 | 115.7 | R675 | R675-K677 PolarHBondContact O-N 2.91Š|
| 678 | N | 61.3 | Low | 67.9 | Low | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.342 | 32% | 0.321 | S | S | . | . | trans | -149.4 | 70.2 | 176.9 | -69.6 | -93.2 | 0 | 0 | 0 | 109.2 | R422 R675 L680 A681 | R422-N678 PolarHBondContact NH2-OD1 3.35Å; R675-N678 CarbonylContact O-C 3.44Å; R675-N678 PolarHBondContact O-N 3.42Å; N678-L680 PolarHBondContact O-N 2.93Å; N678-A681 HydrophobicContact CB-CB 4.35Å; N678-A681 WeakPolarHBondContact O-CB 3.47Å; N678-A681 PolarHBondContact O-N 2.95Å | ||
| 679 | P | 59.9 | Low | 67.1 | Low | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.045 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -58.1 | -33.2 | 176.7 | 25.2 | -34.8 | 0 | 0 | 0 | 111.9 | V603 D606 A681 Y682 R683 | V603-P679 HydrophobicContact CG1-CG 4.46Å; D606-P679 HydrophobicContact CB-CB 3.95Å; D606-P679 HydrophobicContact CB-CG 4.06Å; P679-A681 PolarHBondContact O-N 2.86Å; P679-Y682 PolarHBondContact O-N 3.5Å; P679-R683 PolarHBondContact O-N 3.46Å |
| 680 | L | 57.7 | Low | 66.5 | Low | 55 Ų | 55 | 54.5 Ų | 54.5 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -53.4 | -14.4 | 170.4 | -82.3 | 169.5 | 0 | 0 | 0 | 115.9 | V603 N678 R683 E685 | V603-L680 HydrophobicContact CB-CD1 4.41Å; V603-L680 HydrophobicContact CG1-CD1 3.76Å; V603-L680 HydrophobicContact CG1-CG 4.37Å; V603-L680 HydrophobicContact CG2-CD1 3.79Å; N678-L680 PolarHBondContact O-N 2.93Å; L680-R683 CarbonylContact C-O 3.57Å; L680-R683 VanDerWaalsContact CA-O 3.25Å; L680-R683 WeakPolarHBondContact CA-O 3.22Å; L680-E685 HydrophobicContact CD2-CG 3.79Å; L680-E685 HydrophobicContact CG-CG 4.29Å |
| 681 | A | 59.2 | Low | 65.6 | Low | 44 Ų | 44 | 51.7 Ų | 51.7 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -78.5 | -22.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N678 P679 | N678-A681 HydrophobicContact CB-CB 4.35Å; N678-A681 WeakPolarHBondContact O-CB 3.47Å; N678-A681 PolarHBondContact O-N 2.95Å; P679-A681 PolarHBondContact O-N 2.86Å |
| 682 | Y | 64.6 | Low | 64.2 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -43.7 | 175.6 | 176.7 | -122 | 0 | 0 | 0 | 112 | T611 A614 A615 T669 L670 T673 P679 L690 A691 | T611-Y682 HydrophobicContact CG2-CD1 4.21Å; T611-Y682 HydrophobicContact CG2-CE1 4.25Å; A614-Y682 HydrophobicContact CB-CE1 4.41Å; A615-Y682 VanDerWaalsContact CA-OH 3.24Å; A615-Y682 WeakPolarHBondContact CA-OH 3.46Å; A615-Y682 HydrophobicContact CB-CE1 4.42Å; A615-Y682 WeakPolarHBondContact CB-OH 3.32Å; T669-Y682 HydrophobicContact CG2-CD2 4.34Å; T669-Y682 HydrophobicContact CG2-CE2 3.93Å; L670-Y682 HydrophobicContact CD1-CD1 3.89Å; L670-Y682 HydrophobicContact CD1-CE1 3.47Å; L670-Y682 VanDerWaalsContact CD1-CE1 3.47Å; L670-Y682 HydrophobicContact CD1-CE2 4.32Å; L670-Y682 HydrophobicContact CD1-CG 4.46Å; T673-Y682 VanDerWaalsContact OG1-CD2 3.28Å; T673-Y682 WeakPolarHBondContact OG1-CD2 3.49Å; P679-Y682 PolarHBondContact O-N 3.5Å; Y682-L690 HydrophobicContact CE2-CD1 4.09Å; Y682-L690 HydrophobicContact CE2-CG 4.11Å; Y682-L690 CarbonylContact O-C 3.58Å; Y682-L690 VanDerWaalsContact O-CA 3.24Å; Y682-L690 WeakPolarHBondContact O-CA 3.22Å; Y682-A691 PolarHBondContact O-N 2.98Å |
| 683 | R | 68.1 | Low | 63 | Low | 11 Ų | 11 | 45.2 Ų | 45.2 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 158.8 | -172.4 | -164.8 | -179.8 | 77.9 | -155.4 | 17.6 | 111.7 | D606 C610 T611 A614 P679 L680 E685 W689 | D606-R683 VanDerWaalsContact CG-NH1 3.28Å; D606-R683 IonicContact OD1-CZ 2.64Å; D606-R683 IonicContact OD1-NH1 3.89Å; D606-R683 PolarHBondContact OD1-NH1 3.33Å; D606-R683 IonicContact OD1-NH2 2.78Å; D606-R683 IonicContact OD2-NH1 2.72Å; C610-R683 VanDerWaalsContact C-CD 3.5Å; C610-R683 VanDerWaalsContact CB-CZ 3.49Å; C610-R683 WeakPolarHBondContact O-CD 3.18Å; C610-R683 VanDerWaalsContact SG-CD 3.56Å; C610-R683 PolarHBondContact SG-NE 2.97Å; C610-R683 VanDerWaalsContact SG-NE 3.41Å; T611-R683 PolarHBondContact OG1-NH1 2.92Å; A614-R683 HydrophobicContact CB-CG 4.17Å; P679-R683 PolarHBondContact O-N 3.46Å; L680-R683 CarbonylContact C-O 3.57Å; L680-R683 VanDerWaalsContact CA-O 3.25Å; L680-R683 WeakPolarHBondContact CA-O 3.22Å; R683-E685 IonicContact CZ-OE1 2.71Å; R683-E685 VanDerWaalsContact CZ-OE1 3.27Å; R683-E685 IonicContact CZ-OE2 3.22Å; R683-E685 IonicContact NE-OE1 2.71Å; R683-E685 PolarHBondContact NE-OE1 3.13Å; R683-E685 VanDerWaalsContact NE-OE1 3.17Å; R683-E685 IonicContact NE-OE2 3.95Å; R683-E685 IonicContact NH2-OE1 2.69Å; R683-E685 PolarHBondContact NH2-OE1 3.44Å; R683-E685 IonicContact NH2-OE2 2.81Å; R683-E685 PolarHBondContact NH2-OE2 2.9Å; R683-W689 CarbonylContact C-O 3.53Å; R683-W689 VanDerWaalsContact CA-O 3.28Å; R683-W689 WeakPolarHBondContact CA-O 3.36Å |
| 684 | Q | 63.7 | Low | 62.2 | Low | 33 Ų | 33 | 46.1 Ų | 46.1 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.7 | 163.8 | -155.9 | 155.1 | -34.3 | 0 | 0 | 108.9 | E686 F687 W689 | Q684-E686 WeakPolarHBondContact CG-OE2 3.38Å; Q684-E686 PolarHBondContact NE2-OE2 3.33Å; Q684-F687 CarbonylContact O-C 3.57Å; Q684-W689 PolarHBondContact N-O 3.21Å |
| 685 | E | 56.8 | Low | 61.2 | Low | 52 Ų | 52 | 49.5 Ų | 49.5 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -32.4 | -172.3 | -67.6 | -53.9 | 131.8 | 0 | 0 | 113.5 | L680 R683 F687 | L680-E685 HydrophobicContact CD2-CG 3.79Å; L680-E685 HydrophobicContact CG-CG 4.29Å; R683-E685 IonicContact CZ-OE1 2.71Å; R683-E685 VanDerWaalsContact CZ-OE1 3.27Å; R683-E685 IonicContact CZ-OE2 3.22Å; R683-E685 IonicContact NE-OE1 2.71Å; R683-E685 PolarHBondContact NE-OE1 3.13Å; R683-E685 VanDerWaalsContact NE-OE1 3.17Å; R683-E685 IonicContact NE-OE2 3.95Å; R683-E685 IonicContact NH2-OE1 2.69Å; R683-E685 PolarHBondContact NH2-OE1 3.44Å; R683-E685 IonicContact NH2-OE2 2.81Å; R683-E685 PolarHBondContact NH2-OE2 2.9Å; E685-F687 PolarHBondContact O-N 2.77Å |
| 686 | E | 53.6 | Low | 60.3 | Low | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -39.1 | 176 | -62.7 | 160.8 | 90.3 | 0 | 0 | 113.2 | Y509 S580 Q684 | Y509-E686 HydrophobicContact CD1-CG 3.35Å; Y509-E686 VanDerWaalsContact CD1-OE1 3.31Å; Y509-E686 WeakPolarHBondContact CD1-OE1 3.21Å; Y509-E686 HydrophobicContact CD2-CG 3.72Å; Y509-E686 HydrophobicContact CE1-CG 3.5Å; Y509-E686 HydrophobicContact CE2-CG 3.87Å; Y509-E686 HydrophobicContact CG-CG 3.44Å; Y509-E686 VanDerWaalsContact CG-CG 3.44Å; S580-E686 WeakPolarHBondContact CB-O 3.44Å; S580-E686 PolarHBondContact OG-O 2.94Å; Q684-E686 WeakPolarHBondContact CG-OE2 3.38Å; Q684-E686 PolarHBondContact NE2-OE2 3.33Å |
| 687 | F | 59 | Low | 59.8 | Low | 28 Ų | 28 | 44.6 Ų | 44.6 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | 122.9 | -174 | -48.6 | -70.4 | 0 | 0 | 0 | 108.8 | V7 L11 Y511 Q684 E685 W689 | V7-F687 HydrophobicContact CG1-CE1 4.11Å; V7-F687 HydrophobicContact CG1-CE2 4.14Å; V7-F687 HydrophobicContact CG1-CZ 3.5Å; V7-F687 VanDerWaalsContact CG1-CZ 3.5Å; L11-F687 HydrophobicContact CD1-CE2 3.89Å; L11-F687 HydrophobicContact CD1-CZ 4.18Å; Y511-F687 AromaticContact CD2-CE1 3.95Å; Y511-F687 HydrophobicContact CD2-CE1 3.95Å; Y511-F687 HydrophobicContact CD2-CZ 4.2Å; Y511-F687 AromaticContact CE2-CE1 3.89Å; Y511-F687 HydrophobicContact CE2-CE1 3.89Å; Y511-F687 HydrophobicContact CE2-CZ 4.39Å; Q684-F687 CarbonylContact O-C 3.57Å; E685-F687 PolarHBondContact O-N 2.77Å; F687-W689 PolarHBondContact O-N 3.38Å |
| 688 | C | 72.9 | Confident | 59.9 | Low | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -62.4 | 73 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | C610 V613 A614 L617 | C610-C688 VanDerWaalsContact CA-SG 3.58Å; C610-C688 HydrophobicContact CB-CB 4.08Å; C610-C688 WeakPolarHBondContact CB-SG 3.45Å; C610-C688 WeakPolarHBondContact SG-CA 3.39Å; C610-C688 WeakPolarHBondContact SG-CB 3.38Å; C610-C688 CovalentContact SG-SG 2.03Å; C610-C688 PolarHBondContact SG-SG 2.97Å; V613-C688 HydrophobicContact CB-CB 3.98Å; V613-C688 HydrophobicContact CG1-CB 3.45Å; V613-C688 VanDerWaalsContact CG1-CB 3.45Å; A614-C688 VanDerWaalsContact CA-O 3.29Å; A614-C688 WeakPolarHBondContact CA-O 3.43Å; L617-C688 WeakPolarHBondContact CD1-O 3.25Å |
| 689 | W | 72.9 | Confident | 59.7 | Low | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 166.5 | -171.6 | -178.1 | -88 | 0 | 0 | 0 | 110.1 | W4 F569 L617 L621 R683 Q684 F687 F709 | W4-W689 HydrophobicContact CD2-CD2 4.31Å; W4-W689 HydrophobicContact CD2-CE3 4.47Å; W4-W689 HydrophobicContact CD2-CG 4.48Å; W4-W689 AromaticContact CE2-CD1 3.69Å; W4-W689 AromaticContact CE2-CD2 3.81Å; W4-W689 AromaticContact CE2-CG 3.58Å; W4-W689 HydrophobicContact CE3-CD2 4.42Å; W4-W689 HydrophobicContact CE3-CE3 4.46Å; W4-W689 AromaticContact CH2-CD1 3.63Å; W4-W689 AromaticContact CH2-CD2 3.78Å; W4-W689 HydrophobicContact CH2-CD2 3.78Å; W4-W689 AromaticContact CH2-CE2 3.29Å; W4-W689 HydrophobicContact CH2-CG 4.06Å; W4-W689 AromaticContact CH2-CZ2 3.76Å; W4-W689 HydrophobicContact CH2-CZ2 3.76Å; W4-W689 AromaticContact CH2-NE1 3.18Å; W4-W689 HydrophobicContact CZ2-CB 4.36Å; W4-W689 AromaticContact CZ2-CD1 3.04Å; W4-W689 AromaticContact CZ2-CD2 3.62Å; W4-W689 HydrophobicContact CZ2-CD2 3.62Å; W4-W689 AromaticContact CZ2-CE2 3.55Å; W4-W689 AromaticContact CZ2-CG 3.42Å; W4-W689 HydrophobicContact CZ2-CG 3.42Å; W4-W689 VanDerWaalsContact CZ2-CG 3.42Å; W4-W689 HydrophobicContact CZ2-CZ2 4.44Å; W4-W689 AromaticContact CZ2-NE1 3.16Å; W4-W689 HydrophobicContact CZ3-CD2 4.12Å; W4-W689 AromaticContact CZ3-CE2 3.79Å; W4-W689 HydrophobicContact CZ3-CE3 4.43Å; W4-W689 HydrophobicContact CZ3-CH2 4.27Å; W4-W689 AromaticContact CZ3-CZ2 3.9Å; W4-W689 HydrophobicContact CZ3-CZ2 3.9Å; W4-W689 HydrophobicContact CZ3-CZ3 4.49Å; W4-W689 AromaticContact NE1-CG 3.75Å; F569-W689 HydrophobicContact CE2-CZ3 4.23Å; L617-W689 HydrophobicContact CB-CE3 3.74Å; L617-W689 HydrophobicContact CB-CZ3 3.69Å; L617-W689 HydrophobicContact CD1-CE3 4.33Å; L617-W689 HydrophobicContact CG-CE3 4.5Å; L621-W689 HydrophobicContact CD2-CH2 3.85Å; L621-W689 HydrophobicContact CD2-CZ3 4.35Å; R683-W689 CarbonylContact C-O 3.53Å; R683-W689 VanDerWaalsContact CA-O 3.28Å; R683-W689 WeakPolarHBondContact CA-O 3.36Å; Q684-W689 PolarHBondContact N-O 3.21Å; F687-W689 PolarHBondContact O-N 3.38Å; W689-F709 HydrophobicContact CH2-CD2 4.34Å; W689-F709 HydrophobicContact CH2-CE1 4.45Å; W689-F709 HydrophobicContact CH2-CE2 4.11Å; W689-F709 HydrophobicContact CH2-CZ 4.16Å; W689-F709 AromaticContact CZ2-CD1 3.83Å; W689-F709 HydrophobicContact CZ2-CD1 3.83Å; W689-F709 HydrophobicContact CZ2-CD2 4.11Å; W689-F709 AromaticContact CZ2-CE1 3.86Å; W689-F709 HydrophobicContact CZ2-CE1 3.86Å; W689-F709 HydrophobicContact CZ2-CE2 4.16Å; W689-F709 AromaticContact CZ2-CG 3.96Å; W689-F709 HydrophobicContact CZ2-CG 3.96Å; W689-F709 HydrophobicContact CZ2-CZ 4.03Å |
| 690 | L | 71.2 | Confident | 59.7 | Low | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 132 | 178.5 | -83.6 | 61.5 | 0 | 0 | 0 | 113.5 | H618 T669 Y682 A692 P704 M705 A708 F709 | H618-L690 HydrophobicContact CB-CD1 3.71Å; T669-L690 HydrophobicContact CG2-CD2 4.34Å; Y682-L690 HydrophobicContact CE2-CD1 4.09Å; Y682-L690 HydrophobicContact CE2-CG 4.11Å; Y682-L690 CarbonylContact O-C 3.58Å; Y682-L690 VanDerWaalsContact O-CA 3.24Å; Y682-L690 WeakPolarHBondContact O-CA 3.22Å; L690-A692 PolarHBondContact O-N 3.13Å; L690-P704 HydrophobicContact CD2-CB 4.46Å; L690-M705 HydrophobicContact CB-CB 4.22Å; L690-A708 HydrophobicContact CD2-CB 4.25Å; L690-F709 HydrophobicContact CD2-CB 4.33Å |
| 691 | A | 65.1 | Low | 60 | Low | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | trans | -53.9 | 126.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y682 P704 M705 | Y682-A691 PolarHBondContact O-N 2.98Å; A691-P704 HydrophobicContact CB-CG 4.19Å; A691-M705 VanDerWaalsContact O-CB 3.25Å; A691-M705 WeakPolarHBondContact O-CB 3.33Å; A691-M705 PolarHBondContact O-N 3.34Å | ||
| 692 | A | 54.4 | Low | 60.2 | Low | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | trans | -125.3 | -40.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | L690 M705 | L690-A692 PolarHBondContact O-N 3.13Å; A692-M705 HydrophobicContact CB-CB 3.68Å; A692-M705 HydrophobicContact CB-CE 3.92Å; A692-M705 HydrophobicContact CB-CG 3.73Å; A692-M705 HydrophobicContact CB-SD 3.75Å | ||
| 693 | L | 54.5 | Low | 60.7 | Low | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 156.1 | 179.1 | -68.2 | 69.5 | 0 | 0 | 0 | 110.3 | V12 Q697 K703 | V12-L693 HydrophobicContact CG2-CD1 3.46Å; V12-L693 VanDerWaalsContact CG2-CD1 3.46Å; V12-L693 HydrophobicContact CG2-CG 4.12Å; L693-Q697 HydrophobicContact CD2-CB 4.19Å; L693-K703 WeakPolarHBondContact O-CE 3.4Å; L693-K703 PolarHBondContact O-NZ 2.76Å |
| 694 | D | 55.1 | Low | 61 | Low | 52 Ų | 52 | 49.7 Ų | 49.7 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -93.3 | 172.9 | 154.8 | -124.1 | -33.8 | 0 | 0 | 0 | 112.4 | N696 Q697 E698 S700 K703 | D694-N696 PolarHBondContact O-N 3.5Å; D694-Q697 WeakPolarHBondContact O-CA 3.44Å; D694-Q697 PolarHBondContact O-N 3.47Å; D694-E698 PolarHBondContact N-O 2.96Å; D694-S700 VanDerWaalsContact OD2-CB 3.26Å; D694-S700 WeakPolarHBondContact OD2-CB 3.49Å; D694-S700 PolarHBondContact OD2-OG 3.2Å; D694-K703 WeakPolarHBondContact OD1-CE 3.29Å; D694-K703 IonicContact OD1-NZ 2.99Å; D694-K703 PolarHBondContact OD1-NZ 2.85Å; D694-K703 WeakPolarHBondContact OD2-CE 3.31Å; D694-K703 IonicContact OD2-NZ 2.66Å | ||
| 695 | W | 52.5 | Low | 61.7 | Low | 154 Ų | 154 | 48.1 Ų | 48.1 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.6 | -175.7 | 66.3 | -82.8 | 0 | 0 | 0 | 116.2 | R423 | R423-W695 VanDerWaalsContact NE-CE3 3.27Š|
| 696 | N | 49 | Very low | 62.6 | Low | 85 Ų | 85 | 47.6 Ų | 47.6 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.7 | 168.3 | -72.9 | -10.7 | 0 | 0 | 0 | 112.9 | D694 E698 | D694-N696 PolarHBondContact O-N 3.5Å; N696-E698 HydrophobicContact CB-CB 4.21Å; N696-E698 HydrophobicContact CB-CG 3.86Å; N696-E698 WeakPolarHBondContact CB-OE2 3.49Å; N696-E698 PolarHBondContact ND2-OE2 2.95Å; N696-E698 PolarHBondContact O-N 3.28Å |
| 697 | Q | 51.1 | Low | 63.9 | Low | 105 Ų | 105 | 54 Ų | 54 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 61.7 | 11.8 | -161.6 | -58.2 | -175.5 | -40.7 | 0 | 0 | 114.5 | L693 D694 | L693-Q697 HydrophobicContact CD2-CB 4.19Å; D694-Q697 WeakPolarHBondContact O-CA 3.44Å; D694-Q697 PolarHBondContact O-N 3.47Å |
| 698 | E | 55.6 | Low | 64.9 | Low | 120 Ų | 120 | 53.2 Ų | 53.2 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | trans | -86.1 | 150.1 | 176.2 | -64.8 | 178.8 | 128.5 | 0 | 0 | 112.2 | D694 N696 S700 | D694-E698 PolarHBondContact N-O 2.96Å; N696-E698 HydrophobicContact CB-CB 4.21Å; N696-E698 HydrophobicContact CB-CG 3.86Å; N696-E698 WeakPolarHBondContact CB-OE2 3.49Å; N696-E698 PolarHBondContact ND2-OE2 2.95Å; N696-E698 PolarHBondContact O-N 3.28Å; E698-S700 PolarHBondContact O-N 3.29Å | ||
| 699 | F | 57.5 | Low | 65.3 | Low | 56 Ų | 56 | 53 Ų | 53 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 117 | 176 | -173.6 | -98 | 0 | 0 | 0 | 111.8 | V12 F701 M705 F706 | V12-F699 HydrophobicContact CG1-CB 4.02Å; V12-F699 HydrophobicContact CG1-CD2 3.69Å; V12-F699 HydrophobicContact CG1-CG 4.22Å; F699-F701 HydrophobicContact CD1-CD1 4.43Å; F699-F701 HydrophobicContact CD1-CE1 4.19Å; F699-F701 HydrophobicContact CD1-CZ 4.37Å; F699-F701 HydrophobicContact CE1-CD1 4.05Å; F699-F701 AromaticContact CE1-CE1 3.98Å; F699-F701 HydrophobicContact CE1-CE1 3.98Å; F699-M705 HydrophobicContact CE2-SD 3.85Å; F699-M705 HydrophobicContact CZ-SD 4.47Å; F699-F706 HydrophobicContact CE1-CB 4.22Å; F699-F706 AromaticContact CE1-CD2 3.75Å; F699-F706 HydrophobicContact CE1-CD2 3.75Å; F699-F706 HydrophobicContact CE1-CG 4.25Å; F699-F706 HydrophobicContact CZ-CB 3.92Å; F699-F706 AromaticContact CZ-CD2 3.85Å; F699-F706 HydrophobicContact CZ-CD2 3.85Å; F699-F706 HydrophobicContact CZ-CG 4.3Å |
| 700 | S | 59 | Low | 65.8 | Low | 26 Ų | 26 | 53 Ų | 53 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | trans | -107.4 | 117.4 | -176.4 | 171.7 | 0 | 0 | 0 | 0 | 112.7 | D694 E698 G702 K703 | D694-S700 VanDerWaalsContact OD2-CB 3.26Å; D694-S700 WeakPolarHBondContact OD2-CB 3.49Å; D694-S700 PolarHBondContact OD2-OG 3.2Å; E698-S700 PolarHBondContact O-N 3.29Å; S700-G702 PolarHBondContact O-N 3.27Å; S700-G702 PolarHBondContact OG-N 3.28Å; S700-K703 WeakPolarHBondContact O-CB 3.35Å; S700-K703 WeakPolarHBondContact O-CG 3.49Å; S700-K703 PolarHBondContact O-N 3Å | ||
| 701 | F | 64.4 | Low | 66.4 | Low | 128 Ų | 128 | 55.4 Ų | 55.4 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -9.3 | 174.9 | -56.6 | -78.7 | 0 | 0 | 0 | 113.9 | F699 F706 W707 | F699-F701 HydrophobicContact CD1-CD1 4.43Å; F699-F701 HydrophobicContact CD1-CE1 4.19Å; F699-F701 HydrophobicContact CD1-CZ 4.37Å; F699-F701 HydrophobicContact CE1-CD1 4.05Å; F699-F701 AromaticContact CE1-CE1 3.98Å; F699-F701 HydrophobicContact CE1-CE1 3.98Å; F701-F706 HydrophobicContact CB-CD1 4.24Å; F701-F706 HydrophobicContact CB-CE1 4.5Å; F701-F706 HydrophobicContact CD1-CD1 4.02Å; F701-F706 AromaticContact CD1-CD2 3.94Å; F701-F706 HydrophobicContact CD1-CD2 3.94Å; F701-F706 AromaticContact CD1-CE1 3.88Å; F701-F706 HydrophobicContact CD1-CE1 3.88Å; F701-F706 AromaticContact CD1-CE2 3.78Å; F701-F706 HydrophobicContact CD1-CE2 3.78Å; F701-F706 HydrophobicContact CD1-CG 4.06Å; F701-F706 AromaticContact CD1-CZ 3.76Å; F701-F706 HydrophobicContact CD1-CZ 3.76Å; F701-F706 HydrophobicContact CE1-CD2 4.39Å; F701-F706 HydrophobicContact CE1-CE2 4.02Å; F701-F706 HydrophobicContact CE1-CZ 4.23Å; F701-W707 PolarHBondContact O-NE1 3.48Å |
| 702 | G | 63.5 | Low | 67.4 | Low | 69 Ų | 69 | 56.6 Ų | 56.6 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S700 | S700-G702 PolarHBondContact O-N 3.27Å; S700-G702 PolarHBondContact OG-N 3.28Å |
| 703 | K | 75.9 | Confident | 68.7 | Low | 50 Ų | 50 | 56.8 Ų | 56.8 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -86.3 | 153.3 | -174.4 | -59.5 | -76.3 | 171.3 | 136 | 0 | 111.9 | L693 D694 S700 M705 F706 | L693-K703 WeakPolarHBondContact O-CE 3.4Å; L693-K703 PolarHBondContact O-NZ 2.76Å; D694-K703 WeakPolarHBondContact OD1-CE 3.29Å; D694-K703 IonicContact OD1-NZ 2.99Å; D694-K703 PolarHBondContact OD1-NZ 2.85Å; D694-K703 WeakPolarHBondContact OD2-CE 3.31Å; D694-K703 IonicContact OD2-NZ 2.66Å; S700-K703 WeakPolarHBondContact O-CB 3.35Å; S700-K703 WeakPolarHBondContact O-CG 3.49Å; S700-K703 PolarHBondContact O-N 3Å; K703-M705 VanDerWaalsContact C-N 3.28Å; K703-M705 PolarHBondContact O-N 2.92Å; K703-F706 PolarHBondContact O-N 3.46Å |
| 704 | P | 74.3 | Confident | 70.1 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.8 | -36.1 | -177.7 | 19.7 | -31.4 | 0 | 0 | 0 | 113.5 | T669 T673 L690 A691 F706 W707 A708 | T669-P704 HydrophobicContact CG2-CB 4.11Å; T673-P704 HydrophobicContact CG2-CB 4.19Å; T673-P704 HydrophobicContact CG2-CG 4.49Å; L690-P704 HydrophobicContact CD2-CB 4.46Å; A691-P704 HydrophobicContact CB-CG 4.19Å; P704-F706 PolarHBondContact O-N 3.15Å; P704-F706 VanDerWaalsContact O-N 3.16Å; P704-W707 PolarHBondContact O-N 2.83Å; P704-A708 WeakPolarHBondContact O-CA 3.42Å; P704-A708 WeakPolarHBondContact O-CB 3.46Å; P704-A708 PolarHBondContact O-N 3.11Å |
| 705 | M | 76.6 | Confident | 71.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -57.6 | -34 | -176.4 | -167.4 | -104.6 | -146.5 | 0 | 0 | 113.2 | W4 V8 L690 A691 A692 F699 K703 F709 I710 | W4-M705 HydrophobicContact CH2-CE 3.92Å; W4-M705 HydrophobicContact CZ2-CE 4.34Å; V8-M705 HydrophobicContact CG1-CE 4.18Å; L690-M705 HydrophobicContact CB-CB 4.22Å; A691-M705 VanDerWaalsContact O-CB 3.25Å; A691-M705 WeakPolarHBondContact O-CB 3.33Å; A691-M705 PolarHBondContact O-N 3.34Å; A692-M705 HydrophobicContact CB-CB 3.68Å; A692-M705 HydrophobicContact CB-CE 3.92Å; A692-M705 HydrophobicContact CB-CG 3.73Å; A692-M705 HydrophobicContact CB-SD 3.75Å; F699-M705 HydrophobicContact CE2-SD 3.85Å; F699-M705 HydrophobicContact CZ-SD 4.47Å; K703-M705 VanDerWaalsContact C-N 3.28Å; K703-M705 PolarHBondContact O-N 2.92Å; M705-F709 HydrophobicContact CG-CD1 4.38Å; M705-F709 WeakPolarHBondContact O-CB 3.41Å; M705-F709 PolarHBondContact O-N 2.77Å; M705-I710 HydrophobicContact CE-CD1 4.34Å; M705-I710 WeakPolarHBondContact O-CG1 3.44Å; M705-I710 PolarHBondContact O-N 3.48Å; M705-I710 HydrophobicContact SD-CD1 4.02Å; M705-I710 HydrophobicContact SD-CG1 3.67Å |
| 706 | F | 76.9 | Confident | 73.2 | Confident | 41 Ų | 41 | 54 Ų | 54 | 18% | 0.18 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -68.8 | -62.7 | 175.9 | -178.2 | -109.7 | 0 | 0 | 0 | 112.3 | F699 F701 K703 P704 I710 V711 | F699-F706 HydrophobicContact CE1-CB 4.22Å; F699-F706 AromaticContact CE1-CD2 3.75Å; F699-F706 HydrophobicContact CE1-CD2 3.75Å; F699-F706 HydrophobicContact CE1-CG 4.25Å; F699-F706 HydrophobicContact CZ-CB 3.92Å; F699-F706 AromaticContact CZ-CD2 3.85Å; F699-F706 HydrophobicContact CZ-CD2 3.85Å; F699-F706 HydrophobicContact CZ-CG 4.3Å; F701-F706 HydrophobicContact CB-CD1 4.24Å; F701-F706 HydrophobicContact CB-CE1 4.5Å; F701-F706 HydrophobicContact CD1-CD1 4.02Å; F701-F706 AromaticContact CD1-CD2 3.94Å; F701-F706 HydrophobicContact CD1-CD2 3.94Å; F701-F706 AromaticContact CD1-CE1 3.88Å; F701-F706 HydrophobicContact CD1-CE1 3.88Å; F701-F706 AromaticContact CD1-CE2 3.78Å; F701-F706 HydrophobicContact CD1-CE2 3.78Å; F701-F706 HydrophobicContact CD1-CG 4.06Å; F701-F706 AromaticContact CD1-CZ 3.76Å; F701-F706 HydrophobicContact CD1-CZ 3.76Å; F701-F706 HydrophobicContact CE1-CD2 4.39Å; F701-F706 HydrophobicContact CE1-CE2 4.02Å; F701-F706 HydrophobicContact CE1-CZ 4.23Å; K703-F706 PolarHBondContact O-N 3.46Å; P704-F706 PolarHBondContact O-N 3.15Å; P704-F706 VanDerWaalsContact O-N 3.16Å; F706-I710 HydrophobicContact CD2-CB 4.37Å; F706-I710 HydrophobicContact CD2-CG2 4.38Å; F706-I710 PolarHBondContact O-N 3.14Å; F706-V711 HydrophobicContact CD1-CG2 4.34Å; F706-V711 HydrophobicContact CD2-CG2 4.45Å; F706-V711 HydrophobicContact CE1-CG2 3.92Å; F706-V711 HydrophobicContact CE2-CG2 4.06Å; F706-V711 HydrophobicContact CZ-CG2 3.77Å; F706-V711 PolarHBondContact O-N 2.85Å |
| 707 | W | 80.6 | Confident | 74.7 | Confident | 168 Ų | 168 | 50.5 Ų | 50.5 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -73.6 | -33.7 | -173.3 | -69.9 | 101.2 | 0 | 0 | 0 | 114.4 | F701 P704 P712 | F701-W707 PolarHBondContact O-NE1 3.48Å; P704-W707 PolarHBondContact O-N 2.83Å; W707-P712 VanDerWaalsContact O-CD 3.23Å; W707-P712 WeakPolarHBondContact O-CD 3.36Å |
| 708 | A | 81 | Confident | 76.4 | Confident | 10 Ų | 10 | 51 Ų | 51 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -92.9 | -16.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H618 V665 T669 L690 P704 | H618-A708 PolarHBondContact NE2-O 3.23Å; V665-A708 WeakPolarHBondContact CG1-O 3.34Å; T669-A708 HydrophobicContact CG2-CB 3.4Å; T669-A708 WeakPolarHBondContact OG1-CB 3.28Å; L690-A708 HydrophobicContact CD2-CB 4.25Å; P704-A708 WeakPolarHBondContact O-CA 3.42Å; P704-A708 WeakPolarHBondContact O-CB 3.46Å; P704-A708 PolarHBondContact O-N 3.11Å |
| 709 | F | 81.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -129.3 | -59.4 | -177.4 | 177.4 | -111.4 | 0 | 0 | 0 | 113.1 | W4 F5 L621 L622 W689 L690 M705 V711 L713 | W4-F709 HydrophobicContact CZ3-CE1 4.42Å; F5-F709 HydrophobicContact CE2-CE1 4.31Å; F5-F709 HydrophobicContact CE2-CZ 4.4Å; F5-F709 HydrophobicContact CZ-CE1 4.12Å; L621-F709 HydrophobicContact CD2-CE2 3.61Å; L621-F709 HydrophobicContact CD2-CZ 3.5Å; L621-F709 VanDerWaalsContact CD2-CZ 3.5Å; L621-F709 HydrophobicContact CG-CE2 4.03Å; L621-F709 HydrophobicContact CG-CZ 4.33Å; L622-F709 HydrophobicContact CD2-CD2 4.34Å; W689-F709 HydrophobicContact CH2-CD2 4.34Å; W689-F709 HydrophobicContact CH2-CE1 4.45Å; W689-F709 HydrophobicContact CH2-CE2 4.11Å; W689-F709 HydrophobicContact CH2-CZ 4.16Å; W689-F709 AromaticContact CZ2-CD1 3.83Å; W689-F709 HydrophobicContact CZ2-CD1 3.83Å; W689-F709 HydrophobicContact CZ2-CD2 4.11Å; W689-F709 AromaticContact CZ2-CE1 3.86Å; W689-F709 HydrophobicContact CZ2-CE1 3.86Å; W689-F709 HydrophobicContact CZ2-CE2 4.16Å; W689-F709 AromaticContact CZ2-CG 3.96Å; W689-F709 HydrophobicContact CZ2-CG 3.96Å; W689-F709 HydrophobicContact CZ2-CZ 4.03Å; L690-F709 HydrophobicContact CD2-CB 4.33Å; M705-F709 HydrophobicContact CG-CD1 4.38Å; M705-F709 WeakPolarHBondContact O-CB 3.41Å; M705-F709 PolarHBondContact O-N 2.77Å; F709-V711 PolarHBondContact O-N 3.39Å; F709-L713 HydrophobicContact CE1-CD2 4.1Å; F709-L713 HydrophobicContact CE2-CD2 4.17Å; F709-L713 HydrophobicContact CZ-CD2 3.69Å; F709-L713 WeakPolarHBondContact O-CB 3.34Å; F709-L713 PolarHBondContact O-N 3.49Å |
| 710 | I | 82.2 | Confident | 79 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -63 | -44.5 | -176.1 | -61.3 | -58.8 | 0 | 0 | 0 | 112.2 | M705 F706 L713 G714 Y768 L771 | M705-I710 HydrophobicContact CE-CD1 4.34Å; M705-I710 WeakPolarHBondContact O-CG1 3.44Å; M705-I710 PolarHBondContact O-N 3.48Å; M705-I710 HydrophobicContact SD-CD1 4.02Å; M705-I710 HydrophobicContact SD-CG1 3.67Å; F706-I710 HydrophobicContact CD2-CB 4.37Å; F706-I710 HydrophobicContact CD2-CG2 4.38Å; F706-I710 PolarHBondContact O-N 3.14Å; I710-L713 PolarHBondContact O-N 2.99Å; I710-G714 PolarHBondContact O-N 2.96Å; I710-Y768 HydrophobicContact CG2-CE2 4.02Å; I710-L771 HydrophobicContact CD1-CD1 3.74Å |
| 711 | V | 84.6 | Confident | 80.1 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -51.7 | 179.1 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | F706 F709 L713 G714 L715 | F706-V711 HydrophobicContact CD1-CG2 4.34Å; F706-V711 HydrophobicContact CD2-CG2 4.45Å; F706-V711 HydrophobicContact CE1-CG2 3.92Å; F706-V711 HydrophobicContact CE2-CG2 4.06Å; F706-V711 HydrophobicContact CZ-CG2 3.77Å; F706-V711 PolarHBondContact O-N 2.85Å; F709-V711 PolarHBondContact O-N 3.39Å; V711-L713 VanDerWaalsContact C-N 3.32Å; V711-L713 PolarHBondContact O-N 3.21Å; V711-G714 PolarHBondContact O-N 3.32Å; V711-L715 WeakPolarHBondContact O-CG 3.44Å; V711-L715 PolarHBondContact O-N 2.82Å; V711-L715 VanDerWaalsContact O-N 3.16Å |
| 712 | P | 85.1 | Confident | 81 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 172.9 | -28.7 | 36.5 | 0 | 0 | 0 | 113.6 | L622 V665 W707 V716 | L622-P712 HydrophobicContact CD2-CB 4.35Å; V665-P712 HydrophobicContact CG1-CG 4.47Å; W707-P712 VanDerWaalsContact O-CD 3.23Å; W707-P712 WeakPolarHBondContact O-CD 3.36Å; P712-V716 WeakPolarHBondContact O-CG2 3.31Å; P712-V716 PolarHBondContact O-N 2.98Å |
| 713 | L | 83.2 | Confident | 81.7 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 177.1 | 175.8 | 58 | 0 | 0 | 0 | 111.6 | F625 F709 I710 V711 L715 V716 L717 | F625-L713 HydrophobicContact CD1-CD1 3.98Å; F625-L713 HydrophobicContact CD2-CD1 3.57Å; F625-L713 HydrophobicContact CE1-CD1 3.76Å; F625-L713 HydrophobicContact CE2-CD1 3.32Å; F625-L713 HydrophobicContact CE2-CD2 4.5Å; F625-L713 HydrophobicContact CG-CD1 3.88Å; F625-L713 HydrophobicContact CZ-CD1 3.41Å; F625-L713 VanDerWaalsContact CZ-CD1 3.41Å; F709-L713 HydrophobicContact CE1-CD2 4.1Å; F709-L713 HydrophobicContact CE2-CD2 4.17Å; F709-L713 HydrophobicContact CZ-CD2 3.69Å; F709-L713 WeakPolarHBondContact O-CB 3.34Å; F709-L713 PolarHBondContact O-N 3.49Å; I710-L713 PolarHBondContact O-N 2.99Å; V711-L713 VanDerWaalsContact C-N 3.32Å; V711-L713 PolarHBondContact O-N 3.21Å; L713-L715 VanDerWaalsContact C-N 3.33Å; L713-L715 PolarHBondContact O-N 2.93Å; L713-V716 PolarHBondContact O-N 3.46Å; L713-V716 VanDerWaalsContact O-N 3.15Å; L713-L717 HydrophobicContact CD1-CD1 3.92Å; L713-L717 HydrophobicContact CD1-CD2 4.36Å; L713-L717 HydrophobicContact CD1-CG 3.83Å; L713-L717 HydrophobicContact CD2-CD1 4.49Å; L713-L717 HydrophobicContact CG-CD1 3.87Å; L713-L717 HydrophobicContact CG-CG 4.23Å; L713-L717 WeakPolarHBondContact O-CG 3.38Å; L713-L717 PolarHBondContact O-N 2.89Å |
| 714 | G | 83.1 | Confident | 81.7 | Confident | 17 Ų | 17 | 43 Ų | 43 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I710 V711 V716 L717 L718 | I710-G714 PolarHBondContact O-N 2.96Å; V711-G714 PolarHBondContact O-N 3.32Å; G714-V716 PolarHBondContact O-N 2.99Å; G714-L717 PolarHBondContact O-N 3.47Å; G714-L718 VanDerWaalsContact O-CB 3.32Å; G714-L718 WeakPolarHBondContact O-CB 3.46Å; G714-L718 PolarHBondContact O-N 3.47Å |
| 715 | L | 86.3 | Confident | 81.9 | Confident | 116 Ų | 116 | 44.4 Ų | 44.4 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.2 | -41.5 | 175.1 | -68 | 172.5 | 0 | 0 | 0 | 112.4 | V711 L713 Y719 | V711-L715 WeakPolarHBondContact O-CG 3.44Å; V711-L715 PolarHBondContact O-N 2.82Å; V711-L715 VanDerWaalsContact O-N 3.16Å; L713-L715 VanDerWaalsContact C-N 3.33Å; L713-L715 PolarHBondContact O-N 2.93Å; L715-Y719 PolarHBondContact O-N 3.05Å |
| 716 | V | 85.2 | Confident | 81.9 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.2 | -38.9 | 178.8 | 175.5 | 0 | 0 | 0 | 0 | 112 | F625 S629 P712 L713 G714 Y719 N720 | F625-V716 HydrophobicContact CB-CG1 3.89Å; S629-V716 WeakPolarHBondContact OG-CG1 3.11Å; P712-V716 WeakPolarHBondContact O-CG2 3.31Å; P712-V716 PolarHBondContact O-N 2.98Å; L713-V716 PolarHBondContact O-N 3.46Å; L713-V716 VanDerWaalsContact O-N 3.15Å; G714-V716 PolarHBondContact O-N 2.99Å; V716-Y719 PolarHBondContact O-N 3.33Å; V716-N720 WeakPolarHBondContact O-CB 3.46Å; V716-N720 VanDerWaalsContact O-CG 3.31Å; V716-N720 PolarHBondContact O-N 2.81Å; V716-N720 PolarHBondContact O-ND2 2.79Å |
| 717 | L | 82.5 | Confident | 81.7 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 173.4 | -70.5 | 176.2 | 0 | 0 | 0 | 111.6 | F625 L713 G714 N720 A721 W764 T765 | F625-L717 HydrophobicContact CD1-CD2 4.33Å; F625-L717 HydrophobicContact CE1-CD2 3.85Å; L713-L717 HydrophobicContact CD1-CD1 3.92Å; L713-L717 HydrophobicContact CD1-CD2 4.36Å; L713-L717 HydrophobicContact CD1-CG 3.83Å; L713-L717 HydrophobicContact CD2-CD1 4.49Å; L713-L717 HydrophobicContact CG-CD1 3.87Å; L713-L717 HydrophobicContact CG-CG 4.23Å; L713-L717 WeakPolarHBondContact O-CG 3.38Å; L713-L717 PolarHBondContact O-N 2.89Å; G714-L717 PolarHBondContact O-N 3.47Å; L717-N720 PolarHBondContact O-N 3.42Å; L717-A721 WeakPolarHBondContact O-CB 3.3Å; L717-A721 PolarHBondContact O-N 2.86Å; L717-W764 HydrophobicContact CD1-CB 4.39Å; L717-W764 HydrophobicContact CD2-CB 3.78Å; L717-T765 HydrophobicContact CB-CG2 4.32Å; L717-T765 HydrophobicContact CD2-CG2 4.3Å |
| 718 | L | 85.4 | Confident | 81.3 | Confident | 116 Ų | 116 | 41 Ų | 41 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.3 | -46.6 | 174.9 | 179.5 | 61.6 | 0 | 0 | 0 | 111.6 | G714 N720 A721 V722 | G714-L718 VanDerWaalsContact O-CB 3.32Å; G714-L718 WeakPolarHBondContact O-CB 3.46Å; G714-L718 PolarHBondContact O-N 3.47Å; L718-N720 VanDerWaalsContact C-N 3.33Å; L718-N720 PolarHBondContact O-N 3.45Å; L718-A721 PolarHBondContact O-N 3.33Å; L718-V722 WeakPolarHBondContact O-CG2 3Å; L718-V722 PolarHBondContact O-N 3.2Å; L718-V722 VanDerWaalsContact O-N 3.09Å |
| 719 | Y | 85.8 | Confident | 80.9 | Confident | 101 Ų | 101 | 44.3 Ų | 44.3 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 174.7 | 178.2 | -106.5 | 0 | 0 | 0 | 112.1 | T633 L715 V716 V722 L723 | T633-Y719 PolarHBondContact OG1-OH 3.29Å; L715-Y719 PolarHBondContact O-N 3.05Å; V716-Y719 PolarHBondContact O-N 3.33Å; Y719-V722 PolarHBondContact O-N 3.49Å; Y719-L723 HydrophobicContact CD1-CD1 3.94Å; Y719-L723 HydrophobicContact CD1-CG 4.38Å; Y719-L723 HydrophobicContact CE1-CD1 3.38Å; Y719-L723 HydrophobicContact CE1-CD2 4.49Å; Y719-L723 HydrophobicContact CE1-CG 3.99Å; Y719-L723 HydrophobicContact CE2-CG 4.5Å; Y719-L723 PolarHBondContact O-N 2.84Å |
| 720 | N | 82.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.011 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -34.9 | 179.7 | -75.6 | -28.2 | 0 | 0 | 0 | 113.3 | S629 V716 L717 L718 L723 L724 L760 | S629-N720 VanDerWaalsContact CA-OD1 3.31Å; S629-N720 WeakPolarHBondContact CA-OD1 3.44Å; S629-N720 WeakPolarHBondContact CB-OD1 3.39Å; S629-N720 PolarHBondContact OG-ND2 3.49Å; S629-N720 PolarHBondContact OG-OD1 3.21Å; V716-N720 WeakPolarHBondContact O-CB 3.46Å; V716-N720 VanDerWaalsContact O-CG 3.31Å; V716-N720 PolarHBondContact O-N 2.81Å; V716-N720 PolarHBondContact O-ND2 2.79Å; L717-N720 PolarHBondContact O-N 3.42Å; L718-N720 VanDerWaalsContact C-N 3.33Å; L718-N720 PolarHBondContact O-N 3.45Å; N720-L723 PolarHBondContact O-N 2.97Å; N720-L724 WeakPolarHBondContact O-CB 3.44Å; N720-L724 PolarHBondContact O-N 2.88Å; N720-L760 HydrophobicContact CB-CB 4.17Å; N720-L760 HydrophobicContact CB-CD2 4.37Å; N720-L760 WeakPolarHBondContact CB-O 3.25Å |
| 721 | A | 81.4 | Confident | 79.5 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L717 L718 L724 G725 | L717-A721 WeakPolarHBondContact O-CB 3.3Å; L717-A721 PolarHBondContact O-N 2.86Å; L718-A721 PolarHBondContact O-N 3.33Å; A721-L724 PolarHBondContact O-N 3.27Å; A721-G725 PolarHBondContact O-N 3.1Å |
| 722 | V | 83.9 | Confident | 78.4 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.2 | 173 | 0 | 0 | 0 | 0 | 111.4 | L718 Y719 L724 G725 L726 | L718-V722 WeakPolarHBondContact O-CG2 3Å; L718-V722 PolarHBondContact O-N 3.2Å; L718-V722 VanDerWaalsContact O-N 3.09Å; Y719-V722 PolarHBondContact O-N 3.49Å; V722-L724 VanDerWaalsContact C-N 3.34Å; V722-L724 PolarHBondContact O-N 3.1Å; V722-G725 PolarHBondContact O-N 3.18Å; V722-L726 HydrophobicContact CG1-CD1 4.01Å; V722-L726 HydrophobicContact CG1-CG 4.42Å; V722-L726 WeakPolarHBondContact O-CB 3.4Å; V722-L726 VanDerWaalsContact O-CG 3.32Å; V722-L726 WeakPolarHBondContact O-CG 3.24Å; V722-L726 PolarHBondContact O-N 3.09Å |
| 723 | L | 77.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.1 | -69.7 | -179.1 | 0 | 0 | 0 | 112.6 | V636 Y719 N720 L726 T727 L760 | V636-L723 HydrophobicContact CB-CD2 4.49Å; V636-L723 HydrophobicContact CG2-CB 4.43Å; V636-L723 HydrophobicContact CG2-CD2 4.08Å; Y719-L723 HydrophobicContact CD1-CD1 3.94Å; Y719-L723 HydrophobicContact CD1-CG 4.38Å; Y719-L723 HydrophobicContact CE1-CD1 3.38Å; Y719-L723 HydrophobicContact CE1-CD2 4.49Å; Y719-L723 HydrophobicContact CE1-CG 3.99Å; Y719-L723 HydrophobicContact CE2-CG 4.5Å; Y719-L723 PolarHBondContact O-N 2.84Å; N720-L723 PolarHBondContact O-N 2.97Å; L723-L726 PolarHBondContact O-N 3.11Å; L723-T727 WeakPolarHBondContact O-CB 3.28Å; L723-T727 PolarHBondContact O-N 2.69Å; L723-T727 PolarHBondContact O-OG1 3.32Å; L723-L760 HydrophobicContact CB-CD1 4.36Å |
| 724 | L | 76.2 | Confident | 76.2 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.4 | -176.3 | 62.9 | 0 | 0 | 0 | 111.2 | N720 A721 V722 T727 S728 L756 A757 L760 | N720-L724 WeakPolarHBondContact O-CB 3.44Å; N720-L724 PolarHBondContact O-N 2.88Å; A721-L724 PolarHBondContact O-N 3.27Å; V722-L724 VanDerWaalsContact C-N 3.34Å; V722-L724 PolarHBondContact O-N 3.1Å; L724-T727 PolarHBondContact O-N 3Å; L724-S728 WeakPolarHBondContact O-CB 3.39Å; L724-S728 PolarHBondContact O-N 3.2Å; L724-L756 HydrophobicContact CD1-CB 4.46Å; L724-L756 HydrophobicContact CD1-CD2 4.4Å; L724-L756 HydrophobicContact CD1-CG 4.3Å; L724-A757 HydrophobicContact CD1-CB 3.93Å; L724-A757 HydrophobicContact CD2-CB 3.67Å; L724-A757 HydrophobicContact CG-CB 4.47Å; L724-L760 HydrophobicContact CB-CD1 3.97Å; L724-L760 HydrophobicContact CD1-CD1 4.39Å |
| 725 | G | 78.2 | Confident | 74.5 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A721 V722 T727 S728 L729 | A721-G725 PolarHBondContact O-N 3.1Å; V722-G725 PolarHBondContact O-N 3.18Å; G725-T727 PolarHBondContact O-N 3.48Å; G725-S728 PolarHBondContact O-N 2.91Å; G725-L729 WeakPolarHBondContact O-CB 3.26Å; G725-L729 PolarHBondContact O-N 3.11Å |
| 726 | L | 77.9 | Confident | 72.8 | Confident | 80 Ų | 80 | 65.3 Ų | 65.3 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 174.8 | -71.1 | 171.1 | 0 | 0 | 0 | 112.3 | V722 L723 T730 | V722-L726 HydrophobicContact CG1-CD1 4.01Å; V722-L726 HydrophobicContact CG1-CG 4.42Å; V722-L726 WeakPolarHBondContact O-CB 3.4Å; V722-L726 VanDerWaalsContact O-CG 3.32Å; V722-L726 WeakPolarHBondContact O-CG 3.24Å; V722-L726 PolarHBondContact O-N 3.09Å; L723-L726 PolarHBondContact O-N 3.11Å; L726-T730 WeakPolarHBondContact O-CG2 3.25Å; L726-T730 PolarHBondContact O-N 3.26Å; L726-T730 PolarHBondContact O-OG1 2.93Å |
| 727 | T | 71.4 | Confident | 70.7 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.055 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 178 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | V636 L723 L724 G725 T730 T731 L756 | V636-T727 WeakPolarHBondContact CG2-OG1 3.36Å; L723-T727 WeakPolarHBondContact O-CB 3.28Å; L723-T727 PolarHBondContact O-N 2.69Å; L723-T727 PolarHBondContact O-OG1 3.32Å; L724-T727 PolarHBondContact O-N 3Å; G725-T727 PolarHBondContact O-N 3.48Å; T727-T730 WeakPolarHBondContact CA-OG1 3.28Å; T727-T730 PolarHBondContact O-OG1 2.95Å; T727-T730 VanDerWaalsContact O-OG1 3.06Å; T727-T731 VanDerWaalsContact O-CB 3.26Å; T727-T731 WeakPolarHBondContact O-CB 3.33Å; T727-T731 PolarHBondContact O-N 3.03Å; T727-T731 PolarHBondContact O-OG1 3.2Å; T727-L756 HydrophobicContact CG2-CD2 3.62Å |
| 728 | S | 72.4 | Confident | 69 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 34% | 0.336 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 111 | L724 G725 T730 T731 C732 | L724-S728 WeakPolarHBondContact O-CB 3.39Å; L724-S728 PolarHBondContact O-N 3.2Å; G725-S728 PolarHBondContact O-N 2.91Å; S728-T730 VanDerWaalsContact C-N 3.34Å; S728-T730 PolarHBondContact O-N 3.44Å; S728-T731 PolarHBondContact O-N 3.44Å; S728-T731 VanDerWaalsContact O-N 3.13Å; S728-C732 WeakPolarHBondContact O-CB 3.17Å; S728-C732 PolarHBondContact O-N 3.46Å; S728-C732 PolarHBondContact O-SG 2.92Å; S728-C732 VanDerWaalsContact O-SG 3.34Å |
| 729 | L | 73.6 | Confident | 67.1 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | -180 | -176.6 | 62.5 | 0 | 0 | 0 | 112.7 | G725 R733 | G725-L729 WeakPolarHBondContact O-CB 3.26Å; G725-L729 PolarHBondContact O-N 3.11Å; L729-R733 HydrophobicContact CD1-CG 4.34Å; L729-R733 WeakPolarHBondContact O-CB 3.02Å; L729-R733 WeakPolarHBondContact O-CG 3.31Å; L729-R733 PolarHBondContact O-N 3.42Å |
| 730 | T | 68.1 | Low | 65 | Low | 62 Ų | 62 | 81 Ų | 81 | 38% | 0.38 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.6 | -34 | 176.3 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | L726 T727 S728 | L726-T730 WeakPolarHBondContact O-CG2 3.25Å; L726-T730 PolarHBondContact O-N 3.26Å; L726-T730 PolarHBondContact O-OG1 2.93Å; T727-T730 WeakPolarHBondContact CA-OG1 3.28Å; T727-T730 PolarHBondContact O-OG1 2.95Å; T727-T730 VanDerWaalsContact O-OG1 3.06Å; S728-T730 VanDerWaalsContact C-N 3.34Å; S728-T730 PolarHBondContact O-N 3.44Å |
| 731 | T | 64.9 | Low | 63.1 | Low | 41 Ų | 41 | 88.2 Ų | 88.2 | 25% | 0.252 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -32.1 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | T727 S728 K749 | T727-T731 VanDerWaalsContact O-CB 3.26Å; T727-T731 WeakPolarHBondContact O-CB 3.33Å; T727-T731 PolarHBondContact O-N 3.03Å; T727-T731 PolarHBondContact O-OG1 3.2Å; S728-T731 PolarHBondContact O-N 3.44Å; S728-T731 VanDerWaalsContact O-N 3.13Å; T731-K749 HydrophobicContact CG2-CB 4.17Å; T731-K749 HydrophobicContact CG2-CD 4.05Å; T731-K749 HydrophobicContact CG2-CG 4.25Å; T731-K749 PolarHBondContact O-NZ 3.44Å |
| 732 | C | 61.6 | Low | 61.5 | Low | 99 Ų | 99 | 96.7 Ų | 96.7 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -81.6 | -39.3 | 177.4 | -70 | 0 | 0 | 0 | 0 | 112.9 | S728 G734 | S728-C732 WeakPolarHBondContact O-CB 3.17Å; S728-C732 PolarHBondContact O-N 3.46Å; S728-C732 PolarHBondContact O-SG 2.92Å; S728-C732 VanDerWaalsContact O-SG 3.34Å; C732-G734 PolarHBondContact O-N 2.92Å |
| 733 | R | 65.1 | Low | 59.5 | Low | 193 Ų | 193 | 104.6 Ų | 104.6 | 73% | 0.728 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -76.2 | 48.5 | 171.6 | -71.5 | -178 | 165.9 | 164.3 | -3.1 | 112.5 | L729 D735 | L729-R733 HydrophobicContact CD1-CG 4.34Å; L729-R733 WeakPolarHBondContact O-CB 3.02Å; L729-R733 WeakPolarHBondContact O-CG 3.31Å; L729-R733 PolarHBondContact O-N 3.42Å; R733-D735 PolarHBondContact O-N 3.48Å |
| 734 | G | 57.2 | Low | 58.3 | Low | 43 Ų | 43 | 106.5 Ų | 106.5 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | trans | -62.6 | 131.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C732 P736 | C732-G734 PolarHBondContact O-N 2.92Å; G734-P736 WeakPolarHBondContact O-CD 3.41Å | ||
| 735 | D | 48 | Very low | 57.6 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | trans | -62.3 | 116.7 | -166.8 | -161.1 | -35.1 | 0 | 0 | 0 | 112.8 | R733 K737 L738 | R733-D735 PolarHBondContact O-N 3.48Å; D735-K737 PolarHBondContact O-N 2.97Å; D735-K737 PolarHBondContact OD1-N 3.3Å; D735-K737 VanDerWaalsContact OD1-N 3.11Å; D735-L738 HydrophobicContact CB-CD1 4.06Å; D735-L738 HydrophobicContact CB-CG 4.27Å; D735-L738 PolarHBondContact O-N 3.35Å | ||
| 736 | P | 50.1 | Low | 56.6 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 84% | 0.844 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -7.3 | -176.4 | 30.1 | -36 | 0 | 0 | 0 | 113.7 | G734 | G734-P736 WeakPolarHBondContact O-CD 3.41Š|
| 737 | K | 41.8 | Very low | 55.5 | Low | 189 Ų | 189 | 113.1 Ų | 113.1 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -4.7 | 178.7 | -70.1 | -174.6 | 174.9 | -178.4 | 0 | 114.5 | D735 N739 | D735-K737 PolarHBondContact O-N 2.97Å; D735-K737 PolarHBondContact OD1-N 3.3Å; D735-K737 VanDerWaalsContact OD1-N 3.11Å; K737-N739 PolarHBondContact O-N 2.87Å |
| 738 | L | 47 | Very low | 55.2 | Low | 130 Ų | 130 | 118.1 Ų | 118.1 | 68% | 0.681 | 62% | 0.624 | S | S | * | * | trans | -91.6 | 83.9 | 179.8 | -73.6 | 176.2 | 0 | 0 | 0 | 112.8 | D735 S740 | D735-L738 HydrophobicContact CB-CD1 4.06Å; D735-L738 HydrophobicContact CB-CG 4.27Å; D735-L738 PolarHBondContact O-N 3.35Å; L738-S740 PolarHBondContact O-N 3.36Å | ||
| 739 | N | 44.2 | Very low | 54.9 | Low | 177 Ų | 177 | 119.4 Ų | 119.4 | 95% | 0.947 | 62% | 0.623 | S | S | * | * | trans | -62.9 | 98.9 | 161.9 | -97.6 | -16.1 | 0 | 0 | 0 | 109.7 | K737 | K737-N739 PolarHBondContact O-N 2.87Š| ||
| 740 | S | 43.3 | Very low | 54.4 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | trans | -140.3 | 131.5 | 179.4 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | L738 R742 | L738-S740 PolarHBondContact O-N 3.36Å; S740-R742 PolarHBondContact O-N 3.41Å | ||
| 741 | T | 40.9 | Very low | 54.2 | Low | 155 Ų | 155 | 122.2 Ų | 122.2 | 95% | 0.951 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -74 | 22.4 | -159.9 | -22.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 742 | R | 48.2 | Very low | 54.3 | Low | 229 Ų | 229 | 124.9 Ų | 124.9 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | trans | -142.1 | 72.5 | -177.1 | -155.8 | 176.3 | -166.1 | -178 | 5.6 | 112.6 | S740 S744 | S740-R742 PolarHBondContact O-N 3.41Å; R742-S744 PolarHBondContact O-N 3.19Å | ||
| 743 | R | 42.6 | Very low | 54.6 | Low | 246 Ų | 246 | 121.7 Ų | 121.7 | 93% | 0.928 | 63% | 0.625 | S | S | * | * | trans | -61.9 | 89.7 | 173.3 | -168.7 | 177.6 | -169.2 | 171.7 | 3.4 | 110.6 | S745 | R743-S745 PolarHBondContact O-N 3.48Š| ||
| 744 | S | 52.2 | Low | 54.7 | Low | 50 Ų | 50 | 116.9 Ų | 116.9 | 35% | 0.35 | 61% | 0.609 | S | S | . | * | trans | -52.2 | 129.5 | 169.9 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | R742 | R742-S744 PolarHBondContact O-N 3.19Š| ||
| 745 | S | 61.9 | Low | 55.1 | Low | 56 Ų | 56 | 115.4 Ų | 115.4 | 39% | 0.392 | 59% | 0.592 | S | S | . | * | trans | -62 | 151 | -174.6 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | R743 T747 Q748 K749 | R743-S745 PolarHBondContact O-N 3.48Å; S745-T747 PolarHBondContact O-N 3.39Å; S745-Q748 WeakPolarHBondContact O-CB 3.34Å; S745-Q748 PolarHBondContact O-N 2.89Å; S745-Q748 PolarHBondContact OG-N 2.84Å; S745-Q748 VanDerWaalsContact OG-N 3.08Å; S745-K749 PolarHBondContact O-N 3.05Å; S745-K749 VanDerWaalsContact O-N 3.12Å | ||
| 746 | L | 56.3 | Low | 56 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 76% | 0.764 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -56.7 | -35.3 | 172.4 | -67.4 | 172.6 | 0 | 0 | 0 | 110.5 | Q748 K749 F750 | L746-Q748 VanDerWaalsContact C-N 3.34Å; L746-Q748 PolarHBondContact O-N 3.21Å; L746-K749 PolarHBondContact O-N 3.41Å; L746-F750 VanDerWaalsContact O-CB 3.27Å; L746-F750 WeakPolarHBondContact O-CB 3.46Å; L746-F750 PolarHBondContact O-N 3.12Å |
| 747 | T | 55.8 | Low | 57 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57 | -41.9 | 171.5 | -24.2 | 0 | 0 | 0 | 0 | 112.8 | S745 L751 | S745-T747 PolarHBondContact O-N 3.39Å; T747-L751 VanDerWaalsContact O-CB 3.28Å; T747-L751 WeakPolarHBondContact O-CB 3.15Å; T747-L751 VanDerWaalsContact O-CG 3.22Å; T747-L751 WeakPolarHBondContact O-CG 3.44Å; T747-L751 PolarHBondContact O-N 3.34Å |
| 748 | Q | 64.1 | Low | 58.2 | Low | 114 Ų | 114 | 97.1 Ų | 97.1 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 177.8 | -172.4 | -179.8 | 2 | 0 | 0 | 111.5 | S745 L746 L751 V752 | S745-Q748 WeakPolarHBondContact O-CB 3.34Å; S745-Q748 PolarHBondContact O-N 2.89Å; S745-Q748 PolarHBondContact OG-N 2.84Å; S745-Q748 VanDerWaalsContact OG-N 3.08Å; L746-Q748 VanDerWaalsContact C-N 3.34Å; L746-Q748 PolarHBondContact O-N 3.21Å; Q748-L751 PolarHBondContact O-N 3.39Å; Q748-V752 WeakPolarHBondContact O-CG2 3.47Å; Q748-V752 PolarHBondContact O-N 2.68Å; Q748-V752 VanDerWaalsContact O-N 3.1Å |
| 749 | K | 66.3 | Low | 59.2 | Low | 74 Ų | 74 | 91 Ų | 91 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.5 | -71.6 | -170.5 | 167.1 | -160.7 | 0 | 111.6 | T731 S745 L746 V752 S753 | T731-K749 HydrophobicContact CG2-CB 4.17Å; T731-K749 HydrophobicContact CG2-CD 4.05Å; T731-K749 HydrophobicContact CG2-CG 4.25Å; T731-K749 PolarHBondContact O-NZ 3.44Å; S745-K749 PolarHBondContact O-N 3.05Å; S745-K749 VanDerWaalsContact O-N 3.12Å; L746-K749 PolarHBondContact O-N 3.41Å; K749-V752 PolarHBondContact O-N 3.18Å; K749-S753 PolarHBondContact O-N 3.48Å |
| 750 | F | 63.8 | Low | 60.3 | Low | 140 Ų | 140 | 82.9 Ų | 82.9 | 61% | 0.614 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.5 | -46.5 | 177.2 | -177.1 | -93.9 | 0 | 0 | 0 | 111.6 | L746 V752 S753 F754 | L746-F750 VanDerWaalsContact O-CB 3.27Å; L746-F750 WeakPolarHBondContact O-CB 3.46Å; L746-F750 PolarHBondContact O-N 3.12Å; F750-V752 VanDerWaalsContact C-N 3.33Å; F750-V752 PolarHBondContact O-N 3.2Å; F750-S753 PolarHBondContact O-N 3.1Å; F750-F754 VanDerWaalsContact O-CB 3.29Å; F750-F754 WeakPolarHBondContact O-CB 3.3Å; F750-F754 PolarHBondContact O-N 3.36Å |
| 751 | L | 63.8 | Low | 61.5 | Low | 61 Ų | 61 | 78.4 Ų | 78.4 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.9 | -79.3 | 170.2 | 0 | 0 | 0 | 112.7 | T747 Q748 S755 | T747-L751 VanDerWaalsContact O-CB 3.28Å; T747-L751 WeakPolarHBondContact O-CB 3.15Å; T747-L751 VanDerWaalsContact O-CG 3.22Å; T747-L751 WeakPolarHBondContact O-CG 3.44Å; T747-L751 PolarHBondContact O-N 3.34Å; Q748-L751 PolarHBondContact O-N 3.39Å; L751-S755 VanDerWaalsContact O-CB 3.32Å; L751-S755 WeakPolarHBondContact O-CB 3.3Å; L751-S755 PolarHBondContact O-N 3Å; L751-S755 PolarHBondContact O-OG 3.05Å |
| 752 | V | 65.9 | Low | 63 | Low | 98 Ų | 98 | 74.9 Ų | 74.9 | 59% | 0.594 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.5 | -45.4 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111 | Q748 K749 F750 F754 S755 L756 | Q748-V752 WeakPolarHBondContact O-CG2 3.47Å; Q748-V752 PolarHBondContact O-N 2.68Å; Q748-V752 VanDerWaalsContact O-N 3.1Å; K749-V752 PolarHBondContact O-N 3.18Å; F750-V752 VanDerWaalsContact C-N 3.33Å; F750-V752 PolarHBondContact O-N 3.2Å; V752-F754 PolarHBondContact O-N 2.84Å; V752-S755 PolarHBondContact O-N 3.48Å; V752-L756 WeakPolarHBondContact O-CB 3.48Å; V752-L756 PolarHBondContact O-N 3.43Å |
| 753 | S | 67.6 | Low | 64.2 | Low | 32 Ų | 32 | 64.2 Ų | 64.2 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177.3 | -166.1 | 0 | 0 | 0 | 0 | 112.6 | K749 F750 L756 A757 | K749-S753 PolarHBondContact O-N 3.48Å; F750-S753 PolarHBondContact O-N 3.1Å; S753-L756 PolarHBondContact O-N 2.86Å; S753-A757 PolarHBondContact O-N 3.13Å |
| 754 | F | 67.4 | Low | 65.8 | Low | 92 Ų | 92 | 52.9 Ų | 52.9 | 40% | 0.404 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 176.2 | -178.8 | -94.6 | 0 | 0 | 0 | 111.6 | F750 V752 L756 A757 V758 | F750-F754 VanDerWaalsContact O-CB 3.29Å; F750-F754 WeakPolarHBondContact O-CB 3.3Å; F750-F754 PolarHBondContact O-N 3.36Å; V752-F754 PolarHBondContact O-N 2.84Å; F754-L756 PolarHBondContact O-N 3.31Å; F754-A757 PolarHBondContact O-N 2.94Å; F754-A757 VanDerWaalsContact O-N 3.15Å; F754-V758 HydrophobicContact CD1-CG2 4.26Å; F754-V758 HydrophobicContact CE1-CG2 3.88Å; F754-V758 HydrophobicContact CZ-CG2 4.07Å; F754-V758 WeakPolarHBondContact O-CG2 3.28Å; F754-V758 PolarHBondContact O-N 3.32Å |
| 755 | S | 66.8 | Low | 66.9 | Low | 12 Ų | 12 | 53.1 Ų | 53.1 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 174.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | L751 V752 L759 | L751-S755 VanDerWaalsContact O-CB 3.32Å; L751-S755 WeakPolarHBondContact O-CB 3.3Å; L751-S755 PolarHBondContact O-N 3Å; L751-S755 PolarHBondContact O-OG 3.05Å; V752-S755 PolarHBondContact O-N 3.48Å; S755-L759 PolarHBondContact O-N 3.34Å |
| 756 | L | 66.9 | Low | 67.5 | Low | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.6 | -39.6 | 176 | -172.2 | 64.3 | 0 | 0 | 0 | 112 | Y631 V635 L724 T727 V752 S753 F754 V758 L759 L760 | Y631-L756 HydrophobicContact CE1-CD1 4.39Å; V635-L756 HydrophobicContact CG1-CD2 4.41Å; L724-L756 HydrophobicContact CD1-CB 4.46Å; L724-L756 HydrophobicContact CD1-CD2 4.4Å; L724-L756 HydrophobicContact CD1-CG 4.3Å; T727-L756 HydrophobicContact CG2-CD2 3.62Å; V752-L756 WeakPolarHBondContact O-CB 3.48Å; V752-L756 PolarHBondContact O-N 3.43Å; S753-L756 PolarHBondContact O-N 2.86Å; F754-L756 PolarHBondContact O-N 3.31Å; L756-V758 VanDerWaalsContact C-N 3.34Å; L756-V758 PolarHBondContact O-N 2.97Å; L756-L759 PolarHBondContact O-N 3.06Å; L756-L760 HydrophobicContact CD1-CD1 3.95Å; L756-L760 HydrophobicContact CD1-CG 4.01Å; L756-L760 HydrophobicContact CD2-CD1 4.26Å; L756-L760 HydrophobicContact CG-CD1 3.72Å; L756-L760 HydrophobicContact CG-CG 4.14Å; L756-L760 VanDerWaalsContact O-CB 3.31Å; L756-L760 WeakPolarHBondContact O-CB 3.35Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.24Å; L756-L760 PolarHBondContact O-N 2.91Å |
| 757 | A | 69.6 | Low | 68.3 | Low | 10 Ų | 10 | 45.2 Ų | 45.2 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L724 S753 F754 L760 G761 L762 | L724-A757 HydrophobicContact CD1-CB 3.93Å; L724-A757 HydrophobicContact CD2-CB 3.67Å; L724-A757 HydrophobicContact CG-CB 4.47Å; S753-A757 PolarHBondContact O-N 3.13Å; F754-A757 PolarHBondContact O-N 2.94Å; F754-A757 VanDerWaalsContact O-N 3.15Å; A757-L760 PolarHBondContact O-N 2.88Å; A757-G761 PolarHBondContact O-N 2.75Å; A757-L762 HydrophobicContact CB-CB 4.33Å; A757-L762 HydrophobicContact CB-CD2 4.28Å; A757-L762 WeakPolarHBondContact O-CB 3.45Å; A757-L762 PolarHBondContact O-N 2.98Å |
| 758 | V | 67.8 | Low | 69.2 | Low | 15 Ų | 15 | 45.5 Ų | 45.5 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 175.2 | 168.1 | 0 | 0 | 0 | 0 | 112 | F754 L756 Q792 Q795 | F754-V758 HydrophobicContact CD1-CG2 4.26Å; F754-V758 HydrophobicContact CE1-CG2 3.88Å; F754-V758 HydrophobicContact CZ-CG2 4.07Å; F754-V758 WeakPolarHBondContact O-CG2 3.28Å; F754-V758 PolarHBondContact O-N 3.32Å; L756-V758 VanDerWaalsContact C-N 3.34Å; L756-V758 PolarHBondContact O-N 2.97Å; V758-Q792 HydrophobicContact CG1-CG 4.48Å; V758-Q792 PolarHBondContact O-NE2 3.07Å; V758-Q795 HydrophobicContact CG1-CB 4.42Å |
| 759 | L | 67.1 | Low | 69.5 | Low | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.3 | -42.7 | 175.4 | -81.4 | -179.3 | 0 | 0 | 0 | 113.1 | N628 Y631 S755 L756 G761 I796 F800 | N628-L759 VanDerWaalsContact CG-O 3.22Å; N628-L759 PolarHBondContact ND2-O 3.04Å; Y631-L759 HydrophobicContact CD1-CD1 3.9Å; Y631-L759 HydrophobicContact CE1-CD1 3.48Å; Y631-L759 VanDerWaalsContact CE1-CD1 3.48Å; S755-L759 PolarHBondContact O-N 3.34Å; L756-L759 PolarHBondContact O-N 3.06Å; L759-G761 PolarHBondContact O-N 3.45Å; L759-I796 HydrophobicContact CD2-CD1 3.89Å; L759-I796 HydrophobicContact CD2-CG1 3.78Å; L759-F800 HydrophobicContact CD1-CE1 4.24Å; L759-F800 HydrophobicContact CD1-CE2 3.55Å; L759-F800 HydrophobicContact CD1-CZ 3.39Å; L759-F800 HydrophobicContact CG-CE2 4.04Å; L759-F800 HydrophobicContact CG-CZ 4.29Å |
| 760 | L | 68.5 | Low | 69.7 | Low | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.9 | -6.4 | -177 | -70 | -177.2 | 0 | 0 | 0 | 113.8 | N628 N720 L723 L724 L756 A757 | N628-L760 WeakPolarHBondContact O-CD2 3.35Å; N720-L760 HydrophobicContact CB-CB 4.17Å; N720-L760 HydrophobicContact CB-CD2 4.37Å; N720-L760 WeakPolarHBondContact CB-O 3.25Å; L723-L760 HydrophobicContact CB-CD1 4.36Å; L724-L760 HydrophobicContact CB-CD1 3.97Å; L724-L760 HydrophobicContact CD1-CD1 4.39Å; L756-L760 HydrophobicContact CD1-CD1 3.95Å; L756-L760 HydrophobicContact CD1-CG 4.01Å; L756-L760 HydrophobicContact CD2-CD1 4.26Å; L756-L760 HydrophobicContact CG-CD1 3.72Å; L756-L760 HydrophobicContact CG-CG 4.14Å; L756-L760 VanDerWaalsContact O-CB 3.31Å; L756-L760 WeakPolarHBondContact O-CB 3.35Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.24Å; L756-L760 PolarHBondContact O-N 2.91Å; A757-L760 PolarHBondContact O-N 2.88Å |
| 761 | G | 69.2 | Low | 69.8 | Low | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103 | 35 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A757 L759 S763 W764 T765 | A757-G761 PolarHBondContact O-N 2.75Å; L759-G761 PolarHBondContact O-N 3.45Å; G761-S763 PolarHBondContact O-N 2.98Å; G761-W764 CarbonylContact O-C 3.52Å; G761-W764 WeakPolarHBondContact O-CA 3.31Å; G761-W764 WeakPolarHBondContact O-CB 3.5Å; G761-W764 PolarHBondContact O-N 3.34Å; G761-T765 PolarHBondContact O-N 3.31Å |
| 762 | L | 71.2 | Confident | 70 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 42% | 0.424 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.8 | -40 | 170.8 | -179 | 64.8 | 0 | 0 | 0 | 112 | A757 T765 L766 | A757-L762 HydrophobicContact CB-CB 4.33Å; A757-L762 HydrophobicContact CB-CD2 4.28Å; A757-L762 WeakPolarHBondContact O-CB 3.45Å; A757-L762 PolarHBondContact O-N 2.98Å; L762-T765 WeakPolarHBondContact CA-OG1 3.34Å; L762-T765 PolarHBondContact O-N 3.42Å; L762-T765 PolarHBondContact O-OG1 3.35Å; L762-L766 PolarHBondContact O-N 3.47Å |
| 763 | S | 74.6 | Confident | 70.1 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.7 | -53.4 | 169.3 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | G761 T765 L766 G767 F785 | G761-S763 PolarHBondContact O-N 2.98Å; S763-T765 VanDerWaalsContact C-N 3.34Å; S763-T765 PolarHBondContact O-N 2.93Å; S763-L766 WeakPolarHBondContact O-CA 3.49Å; S763-L766 VanDerWaalsContact O-CB 3.28Å; S763-L766 WeakPolarHBondContact O-CB 3.36Å; S763-L766 PolarHBondContact O-N 3.47Å; S763-G767 PolarHBondContact O-N 2.99Å; S763-G767 VanDerWaalsContact O-N 3.12Å; S763-F785 VanDerWaalsContact O-CD2 3.31Å; S763-F785 WeakPolarHBondContact O-CD2 3.38Å |
| 764 | W | 75.8 | Confident | 70.2 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.2 | -28.5 | -178.4 | -65.8 | 105 | 0 | 0 | 0 | 114.7 | M1 F5 L621 F625 L717 G761 L766 G767 Y768 F785 | M1-W764 HydrophobicContact CE-CH2 4.22Å; M1-W764 HydrophobicContact CE-CZ2 3.61Å; M1-W764 HydrophobicContact CG-CH2 3.86Å; M1-W764 HydrophobicContact CG-CZ2 4.02Å; M1-W764 HydrophobicContact SD-CH2 3.9Å; M1-W764 HydrophobicContact SD-CZ2 3.4Å; M1-W764 WeakPolarHBondContact SD-CZ2 3.33Å; F5-W764 HydrophobicContact CD2-CH2 4.38Å; F5-W764 AromaticContact CD2-CZ3 3.73Å; F5-W764 HydrophobicContact CD2-CZ3 3.73Å; F5-W764 HydrophobicContact CE2-CE3 4.44Å; F5-W764 HydrophobicContact CE2-CH2 4.4Å; F5-W764 AromaticContact CE2-CZ3 3.56Å; F5-W764 HydrophobicContact CE2-CZ3 3.56Å; F5-W764 HydrophobicContact CZ-CZ3 4.45Å; L621-W764 HydrophobicContact CD1-CH2 3.78Å; L621-W764 HydrophobicContact CD1-CZ2 3.8Å; L621-W764 HydrophobicContact CD2-CH2 4.16Å; F625-W764 HydrophobicContact CE1-CB 3.87Å; F625-W764 AromaticContact CE1-CD1 3.7Å; F625-W764 HydrophobicContact CE1-CD2 4.12Å; F625-W764 AromaticContact CE1-CG 3.62Å; F625-W764 HydrophobicContact CE1-CG 3.62Å; F625-W764 HydrophobicContact CE2-CD2 4.39Å; F625-W764 HydrophobicContact CZ-CB 3.91Å; F625-W764 AromaticContact CZ-CD1 3.75Å; F625-W764 AromaticContact CZ-CD2 3.41Å; F625-W764 HydrophobicContact CZ-CD2 3.41Å; F625-W764 VanDerWaalsContact CZ-CD2 3.41Å; F625-W764 AromaticContact CZ-CE2 3.63Å; F625-W764 AromaticContact CZ-CE3 3.88Å; F625-W764 HydrophobicContact CZ-CE3 3.88Å; F625-W764 AromaticContact CZ-CG 3.43Å; F625-W764 HydrophobicContact CZ-CG 3.43Å; F625-W764 VanDerWaalsContact CZ-CG 3.43Å; F625-W764 HydrophobicContact CZ-CZ2 4.19Å; F625-W764 HydrophobicContact CZ-CZ3 4.44Å; F625-W764 AromaticContact CZ-NE1 3.89Å; L717-W764 HydrophobicContact CD1-CB 4.39Å; L717-W764 HydrophobicContact CD2-CB 3.78Å; G761-W764 CarbonylContact O-C 3.52Å; G761-W764 WeakPolarHBondContact O-CA 3.31Å; G761-W764 WeakPolarHBondContact O-CB 3.5Å; G761-W764 PolarHBondContact O-N 3.34Å; W764-L766 VanDerWaalsContact C-N 3.32Å; W764-G767 PolarHBondContact O-N 3.15Å; W764-Y768 PolarHBondContact O-N 2.96Å; W764-F785 HydrophobicContact CD2-CE2 4.32Å; W764-F785 AromaticContact CE3-CE2 3.82Å; W764-F785 HydrophobicContact CE3-CE2 3.82Å; W764-F785 HydrophobicContact CE3-CZ 4.13Å; W764-F785 HydrophobicContact CZ3-CE2 4.23Å; W764-F785 HydrophobicContact CZ3-CZ 4.06Å |
| 765 | T | 74 | Confident | 70.4 | Confident | 54 Ų | 54 | 35.5 Ų | 35.5 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -30.3 | 169.1 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | L717 G761 L762 S763 L769 | L717-T765 HydrophobicContact CB-CG2 4.32Å; L717-T765 HydrophobicContact CD2-CG2 4.3Å; G761-T765 PolarHBondContact O-N 3.31Å; L762-T765 WeakPolarHBondContact CA-OG1 3.34Å; L762-T765 PolarHBondContact O-N 3.42Å; L762-T765 PolarHBondContact O-OG1 3.35Å; S763-T765 VanDerWaalsContact C-N 3.34Å; S763-T765 PolarHBondContact O-N 2.93Å; T765-L769 WeakPolarHBondContact O-CB 3.42Å; T765-L769 PolarHBondContact O-N 3.13Å |
| 766 | L | 74.4 | Confident | 70.4 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 18% | 0.183 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | 169.2 | -61.1 | 167.1 | 0 | 0 | 0 | 110.9 | L762 S763 W764 Y768 L769 V770 L784 F785 | L762-L766 PolarHBondContact O-N 3.47Å; S763-L766 WeakPolarHBondContact O-CA 3.49Å; S763-L766 VanDerWaalsContact O-CB 3.28Å; S763-L766 WeakPolarHBondContact O-CB 3.36Å; S763-L766 PolarHBondContact O-N 3.47Å; W764-L766 VanDerWaalsContact C-N 3.32Å; L766-Y768 PolarHBondContact O-N 3.03Å; L766-L769 CarbonylContact O-C 3.58Å; L766-L769 WeakPolarHBondContact O-CA 3.26Å; L766-L769 WeakPolarHBondContact O-CB 3.48Å; L766-L769 PolarHBondContact O-N 3.42Å; L766-L769 VanDerWaalsContact O-N 3.07Å; L766-V770 VanDerWaalsContact O-CG2 3.23Å; L766-V770 WeakPolarHBondContact O-CG2 3.39Å; L766-V770 PolarHBondContact O-N 2.98Å; L766-L784 HydrophobicContact CD1-CB 4.44Å; L766-L784 HydrophobicContact CD1-CD2 3.69Å; L766-L784 HydrophobicContact CD1-CG 3.75Å; L766-L784 HydrophobicContact CD2-CD2 4.36Å; L766-F785 HydrophobicContact CB-CB 4.37Å |
| 767 | G | 73.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S763 W764 L769 V770 L771 | S763-G767 PolarHBondContact O-N 2.99Å; S763-G767 VanDerWaalsContact O-N 3.12Å; W764-G767 PolarHBondContact O-N 3.15Å; G767-L769 VanDerWaalsContact C-N 3.31Å; G767-L769 PolarHBondContact O-N 3.44Å; G767-V770 PolarHBondContact O-N 2.88Å; G767-L771 PolarHBondContact O-N 3.42Å |
| 768 | Y | 74.8 | Confident | 70.6 | Confident | 103 Ų | 103 | 43.2 Ų | 43.2 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 172 | -167.9 | -82.9 | 0 | 0 | 0 | 112.1 | I710 W764 L766 V770 L771 V772 | I710-Y768 HydrophobicContact CG2-CE2 4.02Å; W764-Y768 PolarHBondContact O-N 2.96Å; L766-Y768 PolarHBondContact O-N 3.03Å; Y768-V770 VanDerWaalsContact C-N 3.32Å; Y768-V770 PolarHBondContact O-N 3.39Å; Y768-L771 PolarHBondContact O-N 2.92Å; Y768-V772 HydrophobicContact CD1-CG2 4.29Å; Y768-V772 HydrophobicContact CE1-CG2 3.99Å |
| 769 | L | 72.1 | Confident | 70.6 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -31.7 | 175.4 | -173.4 | 63.5 | 0 | 0 | 0 | 112.5 | T765 L766 G767 V772 T773 | T765-L769 WeakPolarHBondContact O-CB 3.42Å; T765-L769 PolarHBondContact O-N 3.13Å; L766-L769 CarbonylContact O-C 3.58Å; L766-L769 WeakPolarHBondContact O-CA 3.26Å; L766-L769 WeakPolarHBondContact O-CB 3.48Å; L766-L769 PolarHBondContact O-N 3.42Å; L766-L769 VanDerWaalsContact O-N 3.07Å; G767-L769 VanDerWaalsContact C-N 3.31Å; G767-L769 PolarHBondContact O-N 3.44Å; L769-V772 PolarHBondContact O-N 2.84Å; L769-T773 HydrophobicContact CD1-CG2 3.81Å; L769-T773 HydrophobicContact CG-CG2 4Å; L769-T773 WeakPolarHBondContact O-CB 3.5Å; L769-T773 WeakPolarHBondContact O-CG2 3.38Å; L769-T773 PolarHBondContact O-N 2.78Å; L769-T773 PolarHBondContact O-OG1 3.14Å |
| 770 | V | 69.6 | Low | 70.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.3 | -160.7 | 0 | 0 | 0 | 0 | 111.4 | L9 L766 G767 Y768 V772 T773 N778 C781 S782 | L9-V770 HydrophobicContact CB-CG1 4.29Å; L9-V770 HydrophobicContact CD1-CB 3.6Å; L9-V770 HydrophobicContact CD1-CG1 3.78Å; L9-V770 HydrophobicContact CD1-CG2 3.91Å; L9-V770 HydrophobicContact CD2-CB 3.74Å; L9-V770 HydrophobicContact CD2-CG1 3.74Å; L9-V770 HydrophobicContact CG-CB 4.26Å; L9-V770 HydrophobicContact CG-CG1 4.15Å; L766-V770 VanDerWaalsContact O-CG2 3.23Å; L766-V770 WeakPolarHBondContact O-CG2 3.39Å; L766-V770 PolarHBondContact O-N 2.98Å; G767-V770 PolarHBondContact O-N 2.88Å; Y768-V770 VanDerWaalsContact C-N 3.32Å; Y768-V770 PolarHBondContact O-N 3.39Å; V770-V772 PolarHBondContact O-N 3.37Å; V770-V772 VanDerWaalsContact O-N 3.1Å; V770-T773 PolarHBondContact O-N 3.38Å; V770-T773 VanDerWaalsContact O-O 3.13Å; V770-N778 HydrophobicContact CG1-CB 4.32Å; V770-N778 VanDerWaalsContact CG1-CG 3.4Å; V770-N778 WeakPolarHBondContact CG1-ND2 3.41Å; V770-N778 WeakPolarHBondContact CG1-OD1 3.46Å; V770-N778 PolarHBondContact O-ND2 3.24Å; V770-C781 HydrophobicContact CG2-CB 3.8Å; V770-S782 VanDerWaalsContact CG1-OG 3.27Å; V770-S782 WeakPolarHBondContact CG1-OG 3.35Å |
| 771 | L | 65.3 | Low | 70.8 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -19.9 | 176 | -68.4 | 168.9 | 0 | 0 | 0 | 113.6 | L9 I710 G767 Y768 | L9-L771 HydrophobicContact CD2-CD2 3.52Å; L9-L771 HydrophobicContact CD2-CG 3.84Å; I710-L771 HydrophobicContact CD1-CD1 3.74Å; G767-L771 PolarHBondContact O-N 3.42Å; Y768-L771 PolarHBondContact O-N 2.92Å |
| 772 | V | 67.8 | Low | 70.5 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 61% | 0.606 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -108 | -9.6 | -175.8 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | Y768 L769 V770 | Y768-V772 HydrophobicContact CD1-CG2 4.29Å; Y768-V772 HydrophobicContact CE1-CG2 3.99Å; L769-V772 PolarHBondContact O-N 2.84Å; V770-V772 PolarHBondContact O-N 3.37Å; V770-V772 VanDerWaalsContact O-N 3.1Å |
| 773 | T | 68.6 | Low | 70.4 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | trans | -115.4 | 146.5 | -175.8 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | L769 V770 N778 | L769-T773 HydrophobicContact CD1-CG2 3.81Å; L769-T773 HydrophobicContact CG-CG2 4Å; L769-T773 WeakPolarHBondContact O-CB 3.5Å; L769-T773 WeakPolarHBondContact O-CG2 3.38Å; L769-T773 PolarHBondContact O-N 2.78Å; L769-T773 PolarHBondContact O-OG1 3.14Å; V770-T773 PolarHBondContact O-N 3.38Å; V770-T773 VanDerWaalsContact O-O 3.13Å; T773-N778 WeakPolarHBondContact O-CB 3.19Å; T773-N778 PolarHBondContact O-ND2 2.61Å | ||
| 774 | T | 69.7 | Low | 70.3 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 68% | 0.681 | 33% | 0.334 | S | S | * | . | trans | -121.4 | 165 | 179.8 | 55.5 | 0 | 0 | 0 | 0 | 111 | V13 | V13-T774 HydrophobicContact CG1-CG2 4.4Š| ||
| 775 | G | 72.1 | Confident | 70.1 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -147.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A777 N778 | G775-A777 VanDerWaalsContact C-N 3.26Å; G775-A777 PolarHBondContact O-N 3.34Å; G775-N778 VanDerWaalsContact O-CB 3.3Å; G775-N778 WeakPolarHBondContact O-CB 3.48Å; G775-N778 PolarHBondContact O-N 2.84Å; G775-N778 VanDerWaalsContact O-N 3.11Å |
| 776 | T | 66.3 | Low | 69.8 | Low | 129 Ų | 129 | 54.7 Ų | 54.7 | 79% | 0.791 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.9 | -27.1 | -172.8 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | N778 L779 A780 | T776-N778 VanDerWaalsContact C-N 3.34Å; T776-L779 PolarHBondContact O-N 2.81Å; T776-A780 PolarHBondContact O-N 3.07Å; T776-A780 VanDerWaalsContact O-N 3.14Å |
| 777 | A | 70.2 | Confident | 69.6 | Low | 46 Ų | 46 | 58 Ų | 58 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G775 A780 C781 | G775-A777 VanDerWaalsContact C-N 3.26Å; G775-A777 PolarHBondContact O-N 3.34Å; A777-A780 PolarHBondContact O-N 3.35Å; A777-C781 WeakPolarHBondContact O-CB 3.46Å; A777-C781 PolarHBondContact O-N 3.27Å; A777-C781 PolarHBondContact O-SG 3.3Å |
| 778 | N | 70.1 | Confident | 69.5 | Low | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.8 | -179.8 | -58 | 0 | 0 | 0 | 110.9 | V770 T773 G775 T776 A780 C781 S782 | V770-N778 HydrophobicContact CG1-CB 4.32Å; V770-N778 VanDerWaalsContact CG1-CG 3.4Å; V770-N778 WeakPolarHBondContact CG1-ND2 3.41Å; V770-N778 WeakPolarHBondContact CG1-OD1 3.46Å; V770-N778 PolarHBondContact O-ND2 3.24Å; T773-N778 WeakPolarHBondContact O-CB 3.19Å; T773-N778 PolarHBondContact O-ND2 2.61Å; G775-N778 VanDerWaalsContact O-CB 3.3Å; G775-N778 WeakPolarHBondContact O-CB 3.48Å; G775-N778 PolarHBondContact O-N 2.84Å; G775-N778 VanDerWaalsContact O-N 3.11Å; T776-N778 VanDerWaalsContact C-N 3.34Å; N778-A780 PolarHBondContact O-N 3.23Å; N778-C781 PolarHBondContact O-N 3.06Å; N778-S782 WeakPolarHBondContact O-CB 3.13Å; N778-S782 PolarHBondContact O-N 3.48Å; N778-S782 PolarHBondContact O-OG 3.43Å; N778-S782 PolarHBondContact OD1-OG 2.98Å |
| 779 | L | 68.2 | Low | 69.3 | Low | 113 Ų | 113 | 55.2 Ų | 55.2 | 59% | 0.592 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 177.5 | 179.4 | 62 | 0 | 0 | 0 | 112.1 | T776 S782 I783 | T776-L779 PolarHBondContact O-N 2.81Å; L779-S782 PolarHBondContact O-N 2.93Å; L779-I783 HydrophobicContact CD1-CD1 4.02Å; L779-I783 HydrophobicContact CD1-CG1 4.43Å; L779-I783 HydrophobicContact CG-CD1 4.11Å; L779-I783 WeakPolarHBondContact O-CG1 3.26Å; L779-I783 PolarHBondContact O-N 3.02Å |
| 780 | A | 72.6 | Confident | 69.3 | Low | 61 Ų | 61 | 52.6 Ų | 52.6 | 50% | 0.504 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T776 A777 N778 L784 | T776-A780 PolarHBondContact O-N 3.07Å; T776-A780 VanDerWaalsContact O-N 3.14Å; A777-A780 PolarHBondContact O-N 3.35Å; N778-A780 PolarHBondContact O-N 3.23Å; A780-L784 WeakPolarHBondContact O-CB 3.32Å; A780-L784 PolarHBondContact O-N 2.95Å; A780-L784 VanDerWaalsContact O-N 3.13Å |
| 781 | C | 68.3 | Low | 69.5 | Low | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 176.6 | -65.3 | 0 | 0 | 0 | 0 | 112 | V770 A777 N778 L784 F785 | V770-C781 HydrophobicContact CG2-CB 3.8Å; A777-C781 WeakPolarHBondContact O-CB 3.46Å; A777-C781 PolarHBondContact O-N 3.27Å; A777-C781 PolarHBondContact O-SG 3.3Å; N778-C781 PolarHBondContact O-N 3.06Å; C781-L784 PolarHBondContact O-N 2.95Å; C781-F785 WeakPolarHBondContact O-CB 3.43Å; C781-F785 PolarHBondContact O-N 3.33Å |
| 782 | S | 62.1 | Low | 70 | Confident | 11 Ų | 11 | 53 Ų | 53 | 8% | 0.077 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | V770 N778 L779 F785 C786 | V770-S782 VanDerWaalsContact CG1-OG 3.27Å; V770-S782 WeakPolarHBondContact CG1-OG 3.35Å; N778-S782 WeakPolarHBondContact O-CB 3.13Å; N778-S782 PolarHBondContact O-N 3.48Å; N778-S782 PolarHBondContact O-OG 3.43Å; N778-S782 PolarHBondContact OD1-OG 2.98Å; L779-S782 PolarHBondContact O-N 2.93Å; S782-F785 PolarHBondContact O-N 3.35Å; S782-C786 VanDerWaalsContact O-CB 3.31Å; S782-C786 WeakPolarHBondContact O-CB 3.3Å; S782-C786 PolarHBondContact O-N 2.81Å |
| 783 | I | 70 | Confident | 70.5 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 178 | -66.8 | 166.2 | 0 | 0 | 0 | 110.5 | L779 C786 L787 | L779-I783 HydrophobicContact CD1-CD1 4.02Å; L779-I783 HydrophobicContact CD1-CG1 4.43Å; L779-I783 HydrophobicContact CG-CD1 4.11Å; L779-I783 WeakPolarHBondContact O-CG1 3.26Å; L779-I783 PolarHBondContact O-N 3.02Å; I783-C786 WeakPolarHBondContact O-CB 3.3Å; I783-C786 PolarHBondContact O-N 3.09Å; I783-L787 HydrophobicContact CG2-CD1 4.12Å; I783-L787 WeakPolarHBondContact O-CG 3.44Å; I783-L787 PolarHBondContact O-N 3.04Å |
| 784 | L | 71.2 | Confident | 71.1 | Confident | 85 Ų | 85 | 49.5 Ų | 49.5 | 45% | 0.445 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 178.7 | -172.3 | 63.5 | 0 | 0 | 0 | 112.2 | L766 A780 C781 C786 L787 C788 | L766-L784 HydrophobicContact CD1-CB 4.44Å; L766-L784 HydrophobicContact CD1-CD2 3.69Å; L766-L784 HydrophobicContact CD1-CG 3.75Å; L766-L784 HydrophobicContact CD2-CD2 4.36Å; A780-L784 WeakPolarHBondContact O-CB 3.32Å; A780-L784 PolarHBondContact O-N 2.95Å; A780-L784 VanDerWaalsContact O-N 3.13Å; C781-L784 PolarHBondContact O-N 2.95Å; L784-C786 VanDerWaalsContact C-N 3.33Å; L784-C786 PolarHBondContact O-N 3.49Å; L784-L787 PolarHBondContact O-N 3.14Å; L784-C788 WeakPolarHBondContact O-CB 3.37Å; L784-C788 PolarHBondContact O-N 3.09Å; L784-C788 PolarHBondContact O-SG 3.02Å; L784-C788 VanDerWaalsContact O-SG 3.35Å |
| 785 | F | 71 | Confident | 71.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.8 | -47.7 | 172 | 167.4 | -93.7 | 0 | 0 | 0 | 111.2 | F5 S763 W764 L766 C781 S782 C788 T789 | F5-F785 HydrophobicContact CB-CD1 4.44Å; F5-F785 HydrophobicContact CB-CE1 3.41Å; F5-F785 VanDerWaalsContact CB-CE1 3.41Å; F5-F785 HydrophobicContact CB-CZ 3.7Å; F5-F785 HydrophobicContact CD2-CZ 4.13Å; F5-F785 HydrophobicContact CG-CE1 4.07Å; F5-F785 AromaticContact CG-CZ 3.87Å; F5-F785 HydrophobicContact CG-CZ 3.87Å; S763-F785 VanDerWaalsContact O-CD2 3.31Å; S763-F785 WeakPolarHBondContact O-CD2 3.38Å; W764-F785 HydrophobicContact CD2-CE2 4.32Å; W764-F785 AromaticContact CE3-CE2 3.82Å; W764-F785 HydrophobicContact CE3-CE2 3.82Å; W764-F785 HydrophobicContact CE3-CZ 4.13Å; W764-F785 HydrophobicContact CZ3-CE2 4.23Å; W764-F785 HydrophobicContact CZ3-CZ 4.06Å; L766-F785 HydrophobicContact CB-CB 4.37Å; C781-F785 WeakPolarHBondContact O-CB 3.43Å; C781-F785 PolarHBondContact O-N 3.33Å; S782-F785 PolarHBondContact O-N 3.35Å; F785-C788 PolarHBondContact O-N 3.16Å; F785-T789 HydrophobicContact CD2-CG2 4.1Å; F785-T789 HydrophobicContact CE1-CG2 4.21Å; F785-T789 HydrophobicContact CE2-CG2 3.62Å; F785-T789 HydrophobicContact CZ-CG2 3.67Å; F785-T789 WeakPolarHBondContact O-CB 3.41Å; F785-T789 WeakPolarHBondContact O-CG2 3.33Å; F785-T789 PolarHBondContact O-N 3.46Å; F785-T789 PolarHBondContact O-OG1 3.41Å |
| 786 | C | 67.9 | Low | 71.7 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -62.1 | 177.1 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | S782 I783 L784 C788 T789 T790 | S782-C786 VanDerWaalsContact O-CB 3.31Å; S782-C786 WeakPolarHBondContact O-CB 3.3Å; S782-C786 PolarHBondContact O-N 2.81Å; I783-C786 WeakPolarHBondContact O-CB 3.3Å; I783-C786 PolarHBondContact O-N 3.09Å; L784-C786 VanDerWaalsContact C-N 3.33Å; L784-C786 PolarHBondContact O-N 3.49Å; C786-C788 PolarHBondContact O-N 3.48Å; C786-C788 VanDerWaalsContact O-N 3.11Å; C786-T789 PolarHBondContact O-N 2.98Å; C786-T789 PolarHBondContact O-OG1 3.1Å; C786-T790 WeakPolarHBondContact O-CG2 3.39Å; C786-T790 PolarHBondContact O-N 3.37Å |
| 787 | L | 70 | Confident | 72.5 | Confident | 104 Ų | 104 | 39.7 Ų | 39.7 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -54.1 | -37.1 | -178.4 | -68.6 | 170.9 | 0 | 0 | 0 | 113.8 | I783 L784 T790 T791 | I783-L787 HydrophobicContact CG2-CD1 4.12Å; I783-L787 WeakPolarHBondContact O-CG 3.44Å; I783-L787 PolarHBondContact O-N 3.04Å; L784-L787 PolarHBondContact O-N 3.14Å; L787-T790 PolarHBondContact O-OG1 2.88Å; L787-T791 PolarHBondContact O-OG1 2.89Å |
| 788 | C | 71.1 | Confident | 73 | Confident | 41 Ų | 41 | 41 Ų | 41 | 28% | 0.277 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -79 | -22 | 177.4 | -66.8 | 0 | 0 | 0 | 0 | 114.3 | L784 F785 C786 | L784-C788 WeakPolarHBondContact O-CB 3.37Å; L784-C788 PolarHBondContact O-N 3.09Å; L784-C788 PolarHBondContact O-SG 3.02Å; L784-C788 VanDerWaalsContact O-SG 3.35Å; F785-C788 PolarHBondContact O-N 3.16Å; C786-C788 PolarHBondContact O-N 3.48Å; C786-C788 VanDerWaalsContact O-N 3.11Å |
| 789 | T | 71.6 | Confident | 73.1 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.4 | -39.7 | 172.3 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | M1 F785 C786 T791 Q792 | M1-T789 HydrophobicContact SD-CG2 4.07Å; F785-T789 HydrophobicContact CD2-CG2 4.1Å; F785-T789 HydrophobicContact CE1-CG2 4.21Å; F785-T789 HydrophobicContact CE2-CG2 3.62Å; F785-T789 HydrophobicContact CZ-CG2 3.67Å; F785-T789 WeakPolarHBondContact O-CB 3.41Å; F785-T789 WeakPolarHBondContact O-CG2 3.33Å; F785-T789 PolarHBondContact O-N 3.46Å; F785-T789 PolarHBondContact O-OG1 3.41Å; C786-T789 PolarHBondContact O-N 2.98Å; C786-T789 PolarHBondContact O-OG1 3.1Å; T789-T791 VanDerWaalsContact C-N 3.27Å; T789-T791 PolarHBondContact O-N 3.3Å; T789-Q792 WeakPolarHBondContact O-CB 3.48Å; T789-Q792 PolarHBondContact O-N 3.22Å; T789-Q792 VanDerWaalsContact O-N 3.1Å |
| 790 | T | 71.5 | Confident | 73.4 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.7 | -47.6 | 179.7 | 81.6 | 0 | 0 | 0 | 0 | 111.1 | E2 S526 C786 L787 Q792 | E2-T790 HydrophobicContact CB-CG2 4.37Å; E2-T790 HydrophobicContact CG-CG2 3.7Å; E2-T790 WeakPolarHBondContact OE1-CA 3.27Å; E2-T790 VanDerWaalsContact OE1-CB 3.25Å; E2-T790 WeakPolarHBondContact OE1-CB 3.47Å; E2-T790 WeakPolarHBondContact OE2-CB 3.5Å; E2-T790 WeakPolarHBondContact OE2-CG2 3.37Å; S526-T790 PolarHBondContact OG-O 3.44Å; C786-T790 WeakPolarHBondContact O-CG2 3.39Å; C786-T790 PolarHBondContact O-N 3.37Å; L787-T790 PolarHBondContact O-OG1 2.88Å; T790-Q792 VanDerWaalsContact C-N 3.33Å; T790-Q792 PolarHBondContact O-N 3.49Å |
| 791 | T | 73.3 | Confident | 73.5 | Confident | 48 Ų | 48 | 35.2 Ų | 35.2 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.4 | -175.3 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | L787 T789 G793 L794 Q795 | L787-T791 PolarHBondContact O-OG1 2.89Å; T789-T791 VanDerWaalsContact C-N 3.27Å; T789-T791 PolarHBondContact O-N 3.3Å; T791-G793 PolarHBondContact O-N 2.81Å; T791-L794 PolarHBondContact O-N 2.62Å; T791-L794 VanDerWaalsContact O-N 3.14Å; T791-Q795 WeakPolarHBondContact O-CB 3.47Å; T791-Q795 WeakPolarHBondContact O-CG 3.29Å; T791-Q795 PolarHBondContact O-N 3.17Å; T791-Q795 PolarHBondContact OG1-NE2 3.4Å |
| 792 | Q | 76.8 | Confident | 74 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | -169.1 | -164 | 175.8 | 30.9 | 0 | 0 | 113 | V758 T789 T790 Q795 I796 | V758-Q792 HydrophobicContact CG1-CG 4.48Å; V758-Q792 PolarHBondContact O-NE2 3.07Å; T789-Q792 WeakPolarHBondContact O-CB 3.48Å; T789-Q792 PolarHBondContact O-N 3.22Å; T789-Q792 VanDerWaalsContact O-N 3.1Å; T790-Q792 VanDerWaalsContact C-N 3.33Å; T790-Q792 PolarHBondContact O-N 3.49Å; Q792-Q795 PolarHBondContact O-N 3.4Å; Q792-I796 HydrophobicContact CG-CD1 4.46Å; Q792-I796 VanDerWaalsContact O-CG1 3.3Å; Q792-I796 WeakPolarHBondContact O-CG1 3.32Å; Q792-I796 PolarHBondContact O-N 3.12Å |
| 793 | G | 78.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S526 T791 I796 F797 | S526-G793 WeakPolarHBondContact OG-CA 3.28Å; S526-G793 PolarHBondContact OG-N 3.41Å; T791-G793 PolarHBondContact O-N 2.81Å; G793-I796 PolarHBondContact O-N 2.81Å; G793-F797 PolarHBondContact O-N 3.17Å; G793-F797 VanDerWaalsContact O-N 3.07Å |
| 794 | L | 80 | Confident | 74.5 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 29% | 0.293 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.9 | -39.2 | 174.8 | -178 | 63.1 | 0 | 0 | 0 | 111.9 | T791 F797 I798 | T791-L794 PolarHBondContact O-N 2.62Å; T791-L794 VanDerWaalsContact O-N 3.14Å; L794-F797 HydrophobicContact CD1-CD1 4.29Å; L794-F797 PolarHBondContact O-N 3.11Å; L794-I798 HydrophobicContact CD1-CD1 4.3Å; L794-I798 HydrophobicContact CG-CD1 4.02Å; L794-I798 WeakPolarHBondContact O-CG1 3.34Å; L794-I798 PolarHBondContact O-N 3.3Å |
| 795 | Q | 76.9 | Confident | 74.5 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.3 | -72.2 | -174.3 | 51 | 0 | 0 | 110.9 | V758 T791 Q792 F797 I798 L799 | V758-Q795 HydrophobicContact CG1-CB 4.42Å; T791-Q795 WeakPolarHBondContact O-CB 3.47Å; T791-Q795 WeakPolarHBondContact O-CG 3.29Å; T791-Q795 PolarHBondContact O-N 3.17Å; T791-Q795 PolarHBondContact OG1-NE2 3.4Å; Q792-Q795 PolarHBondContact O-N 3.4Å; Q795-F797 VanDerWaalsContact C-N 3.33Å; Q795-F797 PolarHBondContact O-N 2.63Å; Q795-I798 PolarHBondContact O-N 3.18Å; Q795-L799 HydrophobicContact CB-CD1 4.3Å; Q795-L799 VanDerWaalsContact O-CB 3.26Å; Q795-L799 WeakPolarHBondContact O-CB 3.47Å; Q795-L799 WeakPolarHBondContact O-CD1 3.21Å; Q795-L799 WeakPolarHBondContact O-CG 3.41Å; Q795-L799 PolarHBondContact O-N 3Å |
| 796 | I | 79.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.2 | -48.5 | 174.2 | -70 | 166.3 | 0 | 0 | 0 | 110.5 | L566 L759 Q792 G793 L799 F800 | L566-I796 HydrophobicContact CD2-CD1 3.99Å; L759-I796 HydrophobicContact CD2-CD1 3.89Å; L759-I796 HydrophobicContact CD2-CG1 3.78Å; Q792-I796 HydrophobicContact CG-CD1 4.46Å; Q792-I796 VanDerWaalsContact O-CG1 3.3Å; Q792-I796 WeakPolarHBondContact O-CG1 3.32Å; Q792-I796 PolarHBondContact O-N 3.12Å; G793-I796 PolarHBondContact O-N 2.81Å; I796-L799 PolarHBondContact O-N 3.01Å; I796-F800 HydrophobicContact CG2-CD2 4.46Å; I796-F800 WeakPolarHBondContact O-CB 3.13Å; I796-F800 PolarHBondContact O-N 2.92Å |
| 797 | F | 82.5 | Confident | 75 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -57.8 | -50.2 | 175.1 | 168.9 | -109.2 | 0 | 0 | 0 | 112.6 | I532 T533 G793 L794 Q795 L799 T801 A802 F807 | I532-F797 HydrophobicContact CB-CD2 4.34Å; I532-F797 HydrophobicContact CB-CE2 4.13Å; I532-F797 HydrophobicContact CG2-CD2 4.14Å; I532-F797 HydrophobicContact CG2-CE2 3.52Å; I532-F797 HydrophobicContact CG2-CZ 4.28Å; T533-F797 WeakPolarHBondContact OG1-CA 3.35Å; G793-F797 PolarHBondContact O-N 3.17Å; G793-F797 VanDerWaalsContact O-N 3.07Å; L794-F797 HydrophobicContact CD1-CD1 4.29Å; L794-F797 PolarHBondContact O-N 3.11Å; Q795-F797 VanDerWaalsContact C-N 3.33Å; Q795-F797 PolarHBondContact O-N 2.63Å; F797-L799 VanDerWaalsContact C-N 3.33Å; F797-L799 PolarHBondContact O-N 2.99Å; F797-T801 HydrophobicContact CD2-CG2 3.73Å; F797-T801 HydrophobicContact CE2-CG2 3.65Å; F797-T801 CarbonylContact O-C 3.53Å; F797-T801 WeakPolarHBondContact O-CA 3.24Å; F797-T801 VanDerWaalsContact O-CB 3.24Å; F797-T801 WeakPolarHBondContact O-CB 3.37Å; F797-T801 PolarHBondContact O-N 3.39Å; F797-A802 HydrophobicContact CE1-CB 4.21Å; F797-A802 HydrophobicContact CE2-CB 4.48Å; F797-A802 HydrophobicContact CZ-CB 4.1Å; F797-A802 PolarHBondContact O-N 3.29Å; F797-F807 HydrophobicContact CE2-CE1 4.38Å; F797-F807 HydrophobicContact CE2-CE2 4.13Å; F797-F807 AromaticContact CE2-CZ 3.79Å; F797-F807 HydrophobicContact CE2-CZ 3.79Å; F797-F807 HydrophobicContact CZ-CE1 4.21Å; F797-F807 AromaticContact CZ-CZ 3.85Å; F797-F807 HydrophobicContact CZ-CZ 3.85Å |
| 798 | I | 79.4 | Confident | 75.4 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -62.5 | -41.7 | -178.1 | -69.9 | 167 | 0 | 0 | 0 | 111.4 | L794 Q795 R803 | L794-I798 HydrophobicContact CD1-CD1 4.3Å; L794-I798 HydrophobicContact CG-CD1 4.02Å; L794-I798 WeakPolarHBondContact O-CG1 3.34Å; L794-I798 PolarHBondContact O-N 3.3Å; Q795-I798 PolarHBondContact O-N 3.18Å; I798-R803 WeakPolarHBondContact O-CG 3.46Å; I798-R803 PolarHBondContact O-N 3.12Å |
| 799 | L | 73.6 | Confident | 75.7 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -81.9 | -42.9 | -171 | -63.6 | 170.2 | 0 | 0 | 0 | 112.9 | Q795 I796 F797 R803 | Q795-L799 HydrophobicContact CB-CD1 4.3Å; Q795-L799 VanDerWaalsContact O-CB 3.26Å; Q795-L799 WeakPolarHBondContact O-CB 3.47Å; Q795-L799 WeakPolarHBondContact O-CD1 3.21Å; Q795-L799 WeakPolarHBondContact O-CG 3.41Å; Q795-L799 PolarHBondContact O-N 3Å; I796-L799 PolarHBondContact O-N 3.01Å; F797-L799 VanDerWaalsContact C-N 3.33Å; F797-L799 PolarHBondContact O-N 2.99Å; L799-R803 VanDerWaalsContact CD2-NH1 3.27Å |
| 800 | F | 72.9 | Confident | 75.9 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -104 | -22.2 | -172.8 | -64.2 | -84.4 | 0 | 0 | 0 | 114.5 | L559 Y631 L759 I796 T804 | L559-F800 HydrophobicContact CD2-CB 4.01Å; L559-F800 HydrophobicContact CD2-CD1 4.09Å; L559-F800 HydrophobicContact CD2-CG 4.15Å; Y631-F800 WeakPolarHBondContact OH-CE1 3.41Å; L759-F800 HydrophobicContact CD1-CE1 4.24Å; L759-F800 HydrophobicContact CD1-CE2 3.55Å; L759-F800 HydrophobicContact CD1-CZ 3.39Å; L759-F800 HydrophobicContact CG-CE2 4.04Å; L759-F800 HydrophobicContact CG-CZ 4.29Å; I796-F800 HydrophobicContact CG2-CD2 4.46Å; I796-F800 WeakPolarHBondContact O-CB 3.13Å; I796-F800 PolarHBondContact O-N 2.92Å; F800-T804 WeakPolarHBondContact O-CG2 3.2Å |
| 801 | T | 75.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -105.4 | -64 | 178 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | T533 H536 F797 R803 T804 F807 | T533-T801 WeakPolarHBondContact CB-OG1 3.32Å; T533-T801 VanDerWaalsContact CG2-OG1 3.3Å; T533-T801 WeakPolarHBondContact CG2-OG1 3.27Å; T533-T801 PolarHBondContact OG1-OG1 2.83Å; H536-T801 HydrophobicContact CB-CG2 4.04Å; F797-T801 HydrophobicContact CD2-CG2 3.73Å; F797-T801 HydrophobicContact CE2-CG2 3.65Å; F797-T801 CarbonylContact O-C 3.53Å; F797-T801 WeakPolarHBondContact O-CA 3.24Å; F797-T801 VanDerWaalsContact O-CB 3.24Å; F797-T801 WeakPolarHBondContact O-CB 3.37Å; F797-T801 PolarHBondContact O-N 3.39Å; T801-R803 VanDerWaalsContact C-N 3.28Å; T801-R803 PolarHBondContact O-N 3.25Å; T801-T804 PolarHBondContact O-N 3.42Å; T801-T804 VanDerWaalsContact O-N 3.07Å; T801-T804 PolarHBondContact O-OG1 2.95Å; T801-T804 VanDerWaalsContact O-OG1 3.12Å; T801-F807 HydrophobicContact CG2-CD2 3.44Å; T801-F807 VanDerWaalsContact CG2-CD2 3.44Å; T801-F807 HydrophobicContact CG2-CE2 3.68Å; T801-F807 HydrophobicContact CG2-CG 3.96Å; T801-F807 HydrophobicContact CG2-CZ 4.38Å; T801-F807 WeakPolarHBondContact O-CB 3.26Å |
| 802 | A | 78.4 | Confident | 76.3 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -64.8 | -28.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F797 F807 R808 | F797-A802 HydrophobicContact CE1-CB 4.21Å; F797-A802 HydrophobicContact CE2-CB 4.48Å; F797-A802 HydrophobicContact CZ-CB 4.1Å; F797-A802 PolarHBondContact O-N 3.29Å; A802-F807 HydrophobicContact CB-CD1 4.43Å; A802-F807 HydrophobicContact CB-CE1 4.36Å; A802-R808 WeakPolarHBondContact O-CG 3.46Å |
| 803 | R | 71.9 | Confident | 76.2 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.7 | 177.1 | -78 | 175.1 | -178.3 | -174.7 | 0.7 | 114.4 | I798 L799 T801 | I798-R803 WeakPolarHBondContact O-CG 3.46Å; I798-R803 PolarHBondContact O-N 3.12Å; L799-R803 VanDerWaalsContact CD2-NH1 3.27Å; T801-R803 VanDerWaalsContact C-N 3.28Å; T801-R803 PolarHBondContact O-N 3.25Å |
| 804 | T | 71.6 | Confident | 76 | Confident | 32 Ų | 32 | 58 Ų | 58 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -71.4 | 144.6 | -177.9 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | F800 T801 S806 F807 R808 | F800-T804 WeakPolarHBondContact O-CG2 3.2Å; T801-T804 PolarHBondContact O-N 3.42Å; T801-T804 VanDerWaalsContact O-N 3.07Å; T801-T804 PolarHBondContact O-OG1 2.95Å; T801-T804 VanDerWaalsContact O-OG1 3.12Å; T804-S806 VanDerWaalsContact C-N 3.26Å; T804-S806 PolarHBondContact O-N 3.41Å; T804-S806 PolarHBondContact OG1-OG 3.49Å; T804-F807 PolarHBondContact O-N 2.93Å; T804-F807 WeakPolarHBondContact OG1-CB 3.38Å; T804-F807 PolarHBondContact OG1-N 3.42Å; T804-R808 WeakPolarHBondContact O-CG 3.49Å; T804-R808 PolarHBondContact O-N 3.08Å |
| 805 | P | 70.7 | Confident | 75.6 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 72% | 0.721 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66 | -30.7 | 175.8 | 26.8 | -33.8 | 0 | 0 | 0 | 111.9 | A809 | P805-A809 VanDerWaalsContact O-CB 3.26Å; P805-A809 WeakPolarHBondContact O-CB 3.44Å; P805-A809 PolarHBondContact O-N 3.08Å |
| 806 | S | 72.1 | Confident | 75.3 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 174.8 | 46.7 | 0 | 0 | 0 | 0 | 111.8 | E540 T804 A809 A810 | E540-S806 WeakPolarHBondContact OE1-CB 3.22Å; E540-S806 PolarHBondContact OE1-OG 2.8Å; T804-S806 VanDerWaalsContact C-N 3.26Å; T804-S806 PolarHBondContact O-N 3.41Å; T804-S806 PolarHBondContact OG1-OG 3.49Å; S806-A809 PolarHBondContact O-N 2.95Å; S806-A810 WeakPolarHBondContact O-CB 3.28Å; S806-A810 PolarHBondContact O-N 3Å |
| 807 | F | 76.9 | Confident | 74.5 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.4 | -173.4 | -92 | 0 | 0 | 0 | 111.7 | I532 H536 F797 T801 A802 T804 A809 A810 A811 | I532-F807 HydrophobicContact CG2-CE2 3.97Å; I532-F807 HydrophobicContact CG2-CZ 4.27Å; H536-F807 HydrophobicContact CB-CD2 4.45Å; H536-F807 AromaticContact CG-CD2 3.95Å; H536-F807 AromaticContact ND1-CD2 3.93Å; F797-F807 HydrophobicContact CE2-CE1 4.38Å; F797-F807 HydrophobicContact CE2-CE2 4.13Å; F797-F807 AromaticContact CE2-CZ 3.79Å; F797-F807 HydrophobicContact CE2-CZ 3.79Å; F797-F807 HydrophobicContact CZ-CE1 4.21Å; F797-F807 AromaticContact CZ-CZ 3.85Å; F797-F807 HydrophobicContact CZ-CZ 3.85Å; T801-F807 HydrophobicContact CG2-CD2 3.44Å; T801-F807 VanDerWaalsContact CG2-CD2 3.44Å; T801-F807 HydrophobicContact CG2-CE2 3.68Å; T801-F807 HydrophobicContact CG2-CG 3.96Å; T801-F807 HydrophobicContact CG2-CZ 4.38Å; T801-F807 WeakPolarHBondContact O-CB 3.26Å; A802-F807 HydrophobicContact CB-CD1 4.43Å; A802-F807 HydrophobicContact CB-CE1 4.36Å; T804-F807 PolarHBondContact O-N 2.93Å; T804-F807 WeakPolarHBondContact OG1-CB 3.38Å; T804-F807 PolarHBondContact OG1-N 3.42Å; F807-A809 VanDerWaalsContact C-N 3.27Å; F807-A809 PolarHBondContact O-N 2.75Å; F807-A810 CarbonylContact O-C 3.56Å; F807-A810 WeakPolarHBondContact O-CA 3.35Å; F807-A810 PolarHBondContact O-N 2.77Å; F807-A811 HydrophobicContact CD1-CB 4.2Å; F807-A811 HydrophobicContact CE1-CB 3.92Å; F807-A811 HydrophobicContact CZ-CB 4.41Å; F807-A811 WeakPolarHBondContact O-CB 3.4Å; F807-A811 PolarHBondContact O-N 3.26Å |
| 808 | R | 78.3 | Confident | 73.5 | Confident | 173 Ų | 173 | 77.6 Ų | 77.6 | 65% | 0.653 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.1 | -36.4 | 177.7 | -69.4 | 178.6 | 67.6 | -170.1 | 0.5 | 112.5 | A802 T804 S812 | A802-R808 WeakPolarHBondContact O-CG 3.46Å; T804-R808 WeakPolarHBondContact O-CG 3.49Å; T804-R808 PolarHBondContact O-N 3.08Å; R808-S812 VanDerWaalsContact O-CB 3.28Å; R808-S812 WeakPolarHBondContact O-CB 3.35Å; R808-S812 PolarHBondContact O-N 3.32Å; R808-S812 VanDerWaalsContact O-N 3.08Å; R808-S812 PolarHBondContact O-OG 3.35Å |
| 809 | A | 77.1 | Confident | 72.4 | Confident | 44 Ų | 44 | 78 Ų | 78 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.5 | -32.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P805 S806 F807 R813 | P805-A809 VanDerWaalsContact O-CB 3.26Å; P805-A809 WeakPolarHBondContact O-CB 3.44Å; P805-A809 PolarHBondContact O-N 3.08Å; S806-A809 PolarHBondContact O-N 2.95Å; F807-A809 VanDerWaalsContact C-N 3.27Å; F807-A809 PolarHBondContact O-N 2.75Å; A809-R813 WeakPolarHBondContact O-CG 3.28Å; A809-R813 PolarHBondContact O-N 3.01Å; A809-R813 PolarHBondContact O-NE 3.29Å |
| 810 | A | 76.3 | Confident | 71.5 | Confident | 32 Ų | 32 | 80.7 Ų | 80.7 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72 | -54.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S806 F807 S812 R813 S814 | S806-A810 WeakPolarHBondContact O-CB 3.28Å; S806-A810 PolarHBondContact O-N 3Å; F807-A810 CarbonylContact O-C 3.56Å; F807-A810 WeakPolarHBondContact O-CA 3.35Å; F807-A810 PolarHBondContact O-N 2.77Å; A810-S812 VanDerWaalsContact C-N 3.34Å; A810-S812 PolarHBondContact O-N 2.94Å; A810-R813 WeakPolarHBondContact O-CA 3.42Å; A810-R813 WeakPolarHBondContact O-CB 3.45Å; A810-R813 PolarHBondContact O-N 3.4Å; A810-S814 PolarHBondContact O-N 2.88Å; A810-S814 PolarHBondContact O-OG 3.27Å |
| 811 | A | 78.5 | Confident | 70.7 | Confident | 40 Ų | 40 | 82.8 Ų | 82.8 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F807 R813 S814 A815 | F807-A811 HydrophobicContact CD1-CB 4.2Å; F807-A811 HydrophobicContact CE1-CB 3.92Å; F807-A811 HydrophobicContact CZ-CB 4.41Å; F807-A811 WeakPolarHBondContact O-CB 3.4Å; F807-A811 PolarHBondContact O-N 3.26Å; A811-R813 VanDerWaalsContact C-N 3.26Å; A811-R813 PolarHBondContact O-N 2.93Å; A811-S814 PolarHBondContact O-N 2.83Å; A811-A815 VanDerWaalsContact O-CB 3.29Å; A811-A815 WeakPolarHBondContact O-CB 3.29Å; A811-A815 PolarHBondContact O-N 2.8Å |
| 812 | S | 75.6 | Confident | 69.6 | Low | 46 Ų | 46 | 85.6 Ų | 85.6 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.3 | -15.1 | 176 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | R808 A810 R816 | R808-S812 VanDerWaalsContact O-CB 3.28Å; R808-S812 WeakPolarHBondContact O-CB 3.35Å; R808-S812 PolarHBondContact O-N 3.32Å; R808-S812 VanDerWaalsContact O-N 3.08Å; R808-S812 PolarHBondContact O-OG 3.35Å; A810-S812 VanDerWaalsContact C-N 3.34Å; A810-S812 PolarHBondContact O-N 2.94Å; S812-R816 PolarHBondContact O-NE 3.11Å; S812-R816 PolarHBondContact O-NH2 3.17Å; S812-R816 PolarHBondContact OG-NH2 3.29Å |
| 813 | R | 75 | Confident | 67.9 | Low | 155 Ų | 155 | 91.6 Ų | 91.6 | 59% | 0.585 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -83.3 | -42.4 | 167.7 | -76.9 | 177.4 | -70.3 | 170.4 | 0.9 | 111 | A809 A810 A811 R816 R817 | A809-R813 WeakPolarHBondContact O-CG 3.28Å; A809-R813 PolarHBondContact O-N 3.01Å; A809-R813 PolarHBondContact O-NE 3.29Å; A810-R813 WeakPolarHBondContact O-CA 3.42Å; A810-R813 WeakPolarHBondContact O-CB 3.45Å; A810-R813 PolarHBondContact O-N 3.4Å; A811-R813 VanDerWaalsContact C-N 3.26Å; A811-R813 PolarHBondContact O-N 2.93Å; R813-R816 PolarHBondContact O-N 2.79Å; R813-R817 PolarHBondContact O-N 3.07Å; R813-R817 VanDerWaalsContact O-N 3.11Å |
| 814 | S | 74.2 | Confident | 66.5 | Low | 65 Ų | 65 | 91.4 Ų | 91.4 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 175.2 | -59 | 0 | 0 | 0 | 0 | 112.3 | A810 A811 R816 R817 L818 | A810-S814 PolarHBondContact O-N 2.88Å; A810-S814 PolarHBondContact O-OG 3.27Å; A811-S814 PolarHBondContact O-N 2.83Å; S814-R816 VanDerWaalsContact C-N 3.33Å; S814-R816 PolarHBondContact O-N 3.38Å; S814-R817 WeakPolarHBondContact O-CB 3.43Å; S814-R817 PolarHBondContact O-N 2.87Å; S814-R817 VanDerWaalsContact O-N 3.07Å; S814-L818 PolarHBondContact O-N 3.33Å |
| 815 | A | 71.5 | Confident | 64.9 | Low | 55 Ų | 55 | 96 Ų | 96 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A811 R817 L818 S819 | A811-A815 VanDerWaalsContact O-CB 3.29Å; A811-A815 WeakPolarHBondContact O-CB 3.29Å; A811-A815 PolarHBondContact O-N 2.8Å; A815-R817 VanDerWaalsContact C-N 3.3Å; A815-R817 PolarHBondContact O-N 3.46Å; A815-L818 PolarHBondContact O-N 3.15Å; A815-S819 PolarHBondContact O-N 2.85Å; A815-S819 PolarHBondContact O-OG 3.41Å |
| 816 | R | 70.3 | Confident | 63.5 | Low | 163 Ų | 163 | 101.6 Ų | 101.6 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.6 | -28.9 | 174.1 | -88.2 | 177.2 | -77.6 | -157 | -5.4 | 113.7 | S812 R813 S814 S819 A820 | S812-R816 PolarHBondContact O-NE 3.11Å; S812-R816 PolarHBondContact O-NH2 3.17Å; S812-R816 PolarHBondContact OG-NH2 3.29Å; R813-R816 PolarHBondContact O-N 2.79Å; S814-R816 VanDerWaalsContact C-N 3.33Å; S814-R816 PolarHBondContact O-N 3.38Å; R816-S819 WeakPolarHBondContact CA-OG 3.45Å; R816-S819 PolarHBondContact O-OG 3.42Å; R816-A820 VanDerWaalsContact O-CB 3.26Å; R816-A820 WeakPolarHBondContact O-CB 3.26Å; R816-A820 PolarHBondContact O-N 3.27Å; R816-A820 VanDerWaalsContact O-N 3.17Å |
| 817 | R | 63.1 | Low | 61.8 | Low | 198 Ų | 198 | 104.4 Ų | 104.4 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.3 | -41.2 | 171.6 | -71.3 | 176.7 | 175.6 | -172.6 | -3.7 | 111.9 | R813 S814 A815 A820 A821 | R813-R817 PolarHBondContact O-N 3.07Å; R813-R817 VanDerWaalsContact O-N 3.11Å; S814-R817 WeakPolarHBondContact O-CB 3.43Å; S814-R817 PolarHBondContact O-N 2.87Å; S814-R817 VanDerWaalsContact O-N 3.07Å; A815-R817 VanDerWaalsContact C-N 3.3Å; A815-R817 PolarHBondContact O-N 3.46Å; R817-A820 PolarHBondContact O-N 3.24Å; R817-A821 WeakPolarHBondContact O-CB 3.44Å; R817-A821 PolarHBondContact O-N 3.42Å |
| 818 | L | 61.1 | Low | 59.9 | Low | 129 Ų | 129 | 106.6 Ų | 106.6 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -42.4 | 175.1 | -84.5 | 151.7 | 0 | 0 | 0 | 112 | S814 A815 A820 A821 G822 | S814-L818 PolarHBondContact O-N 3.33Å; A815-L818 PolarHBondContact O-N 3.15Å; L818-A820 VanDerWaalsContact C-N 3.31Å; L818-A820 PolarHBondContact O-N 2.91Å; L818-A821 PolarHBondContact O-N 2.88Å; L818-G822 WeakPolarHBondContact O-CA 3.41Å; L818-G822 PolarHBondContact O-N 3.31Å |
| 819 | S | 55.6 | Low | 58.1 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 57% | 0.566 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.2 | -29.2 | 174.1 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | A815 R816 | A815-S819 PolarHBondContact O-N 2.85Å; A815-S819 PolarHBondContact O-OG 3.41Å; R816-S819 WeakPolarHBondContact CA-OG 3.45Å; R816-S819 PolarHBondContact O-OG 3.42Å |
| 820 | A | 55.5 | Low | 56.1 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.5 | -28.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R816 R817 L818 | R816-A820 VanDerWaalsContact O-CB 3.26Å; R816-A820 WeakPolarHBondContact O-CB 3.26Å; R816-A820 PolarHBondContact O-N 3.27Å; R816-A820 VanDerWaalsContact O-N 3.17Å; R817-A820 PolarHBondContact O-N 3.24Å; L818-A820 VanDerWaalsContact C-N 3.31Å; L818-A820 PolarHBondContact O-N 2.91Å |
| 821 | A | 54.8 | Low | 54.3 | Low | 88 Ų | 88 | 116.8 Ų | 116.8 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -83.1 | -19.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | R817 L818 | R817-A821 WeakPolarHBondContact O-CB 3.44Å; R817-A821 PolarHBondContact O-N 3.42Å; L818-A821 PolarHBondContact O-N 2.88Å |
| 822 | G | 53.5 | Low | 52.3 | Low | 58 Ų | 58 | 123 Ų | 123 | 60% | 0.598 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -100.1 | 20.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | L818 | L818-G822 WeakPolarHBondContact O-CA 3.41Å; L818-G822 PolarHBondContact O-N 3.31Å |
| 823 | F | 43.1 | Very low | 50.3 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | trans | -151 | 72.2 | 169.4 | -149.2 | -93.5 | 0 | 0 | 0 | 114.5 | L825 | F823-L825 VanDerWaalsContact C-N 3.3Å; F823-L825 HydrophobicContact CD1-CB 3.93Å; F823-L825 HydrophobicContact CD2-CB 4.16Å; F823-L825 HydrophobicContact CE1-CB 3.46Å; F823-L825 VanDerWaalsContact CE1-CB 3.46Å; F823-L825 HydrophobicContact CE2-CB 3.72Å; F823-L825 HydrophobicContact CE2-CD1 4.14Å; F823-L825 HydrophobicContact CE2-CD2 4.18Å; F823-L825 HydrophobicContact CE2-CG 4.23Å; F823-L825 HydrophobicContact CG-CB 4.28Å; F823-L825 HydrophobicContact CZ-CB 3.35Å; F823-L825 HydrophobicContact CZ-CD2 3.94Å; F823-L825 HydrophobicContact CZ-CG 4.12Å | ||
| 824 | S | 41.1 | Very low | 48.4 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -98.7 | 52.1 | 154.6 | -164.8 | 0 | 0 | 0 | 0 | 109.8 | R826 | S824-R826 PolarHBondContact O-N 3.1Å; S824-R826 VanDerWaalsContact O-N 3.1Å | ||
| 825 | L | 39.1 | Very low | 46.4 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | -77.3 | 99 | 175.4 | -132.4 | 95.5 | 0 | 0 | 0 | 108.3 | F823 S827 | F823-L825 VanDerWaalsContact C-N 3.3Å; F823-L825 HydrophobicContact CD1-CB 3.93Å; F823-L825 HydrophobicContact CD2-CB 4.16Å; F823-L825 HydrophobicContact CE1-CB 3.46Å; F823-L825 VanDerWaalsContact CE1-CB 3.46Å; F823-L825 HydrophobicContact CE2-CB 3.72Å; F823-L825 HydrophobicContact CE2-CD1 4.14Å; F823-L825 HydrophobicContact CE2-CD2 4.18Å; F823-L825 HydrophobicContact CE2-CG 4.23Å; F823-L825 HydrophobicContact CG-CB 4.28Å; F823-L825 HydrophobicContact CZ-CB 3.35Å; F823-L825 HydrophobicContact CZ-CD2 3.94Å; F823-L825 HydrophobicContact CZ-CG 4.12Å; L825-S827 PolarHBondContact O-N 2.96Å | ||
| 826 | R | 39.9 | Very low | 44.5 | Very low | 228 Ų | 228 | 143.8 Ų | 143.8 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -53.3 | 103.2 | 177 | -177.2 | -177.3 | -173.5 | 179.7 | 2.3 | 110.1 | S824 T828 | S824-R826 PolarHBondContact O-N 3.1Å; S824-R826 VanDerWaalsContact O-N 3.1Å; R826-T828 PolarHBondContact O-N 2.97Å | ||
| 827 | S | 38 | Very low | 42.6 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -69.7 | 96.3 | 176.7 | 57.9 | 0 | 0 | 0 | 0 | 110 | L825 T829 | L825-S827 PolarHBondContact O-N 2.96Å; S827-T829 PolarHBondContact O-N 3.04Å | ||
| 828 | T | 35.6 | Very low | 41 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 52% | 0.521 | 74% | 0.735 | S | S | . | * | trans | -66.9 | 102.7 | 174.7 | -59 | 0 | 0 | 0 | 0 | 109.6 | R826 Y830 | R826-T828 PolarHBondContact O-N 2.97Å; T828-Y830 HydrophobicContact CG2-CD2 4.09Å; T828-Y830 HydrophobicContact CG2-CE1 4.32Å; T828-Y830 HydrophobicContact CG2-CE2 3.59Å; T828-Y830 WeakPolarHBondContact O-CD2 3.2Å; T828-Y830 PolarHBondContact O-N 3.33Å; T828-Y830 VanDerWaalsContact O-N 3.09Å | ||
| 829 | T | 40.6 | Very low | 39.5 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 61% | 0.613 | 74% | 0.739 | S | S | * | * | trans | -70.5 | 100.2 | 176.3 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | S827 H831 | S827-T829 PolarHBondContact O-N 3.04Å; T829-H831 PolarHBondContact O-N 3.09Å | ||
| 830 | Y | 36.3 | Very low | 38.1 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -79.4 | 106 | 172.6 | -71.5 | -86.3 | 0 | 0 | 0 | 110.5 | T828 L832 | T828-Y830 HydrophobicContact CG2-CD2 4.09Å; T828-Y830 HydrophobicContact CG2-CE1 4.32Å; T828-Y830 HydrophobicContact CG2-CE2 3.59Å; T828-Y830 WeakPolarHBondContact O-CD2 3.2Å; T828-Y830 PolarHBondContact O-N 3.33Å; T828-Y830 VanDerWaalsContact O-N 3.09Å; Y830-L832 PolarHBondContact O-N 3.12Å; Y830-L832 VanDerWaalsContact O-N 3.12Å | ||
| 831 | H | 37.7 | Very low | 37 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -77.7 | 91.4 | 174.1 | -73 | -81.5 | 0 | 0 | 0 | 111.3 | T829 W833 | T829-H831 PolarHBondContact O-N 3.09Å; H831-W833 PolarHBondContact O-N 3.19Å | ||
| 832 | L | 36.8 | Very low | 35.8 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -75.8 | 98.4 | 169.1 | -89 | 167.7 | 0 | 0 | 0 | 110.8 | Y830 K834 | Y830-L832 PolarHBondContact O-N 3.12Å; Y830-L832 VanDerWaalsContact O-N 3.12Å; L832-K834 PolarHBondContact O-N 3.44Å | ||
| 833 | W | 32.9 | Very low | 34.8 | Very low | 216 Ų | 216 | 150.5 Ų | 150.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -84.7 | 104.6 | 172.8 | -166 | 81.9 | 0 | 0 | 0 | 110.6 | H831 N835 | H831-W833 PolarHBondContact O-N 3.19Å; W833-N835 HydrophobicContact CH2-CB 4.09Å; W833-N835 VanDerWaalsContact CH2-ND2 3.31Å; W833-N835 WeakPolarHBondContact CH2-ND2 3.44Å; W833-N835 HydrophobicContact CZ2-CB 4.17Å; W833-N835 WeakPolarHBondContact CZ2-ND2 3.31Å; W833-N835 HydrophobicContact CZ3-CB 4.25Å | ||
| 834 | K | 35.1 | Very low | 34.1 | Very low | 210 Ų | 210 | 149.8 Ų | 149.8 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | trans | -126.6 | 136.6 | 161.1 | -165.6 | 168.9 | -177.5 | 177.9 | 0 | 109.4 | L832 | L832-K834 PolarHBondContact O-N 3.44Š| ||
| 835 | N | 32.7 | Very low | 33.6 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 54% | 0.535 | 75% | 0.753 | S | S | . | * | trans | -111.7 | 153.8 | -154.5 | -168.1 | 3.3 | 0 | 0 | 0 | 112.6 | W833 | W833-N835 HydrophobicContact CH2-CB 4.09Å; W833-N835 VanDerWaalsContact CH2-ND2 3.31Å; W833-N835 WeakPolarHBondContact CH2-ND2 3.44Å; W833-N835 HydrophobicContact CZ2-CB 4.17Å; W833-N835 WeakPolarHBondContact CZ2-ND2 3.31Å; W833-N835 HydrophobicContact CZ3-CB 4.25Å | ||
| 836 | R | 31.3 | Very low | 33.1 | Very low | 232 Ų | 232 | 158.1 Ų | 158.1 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | 60.2 | 121.1 | 154.9 | -179.7 | -175.3 | -83.2 | -175.2 | -8.1 | 118.1 | ||||
| 837 | G | 30.9 | Very low | 32.8 | Very low | 69 Ų | 69 | 153.9 Ų | 153.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 161.4 | 40.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 838 | Q | 30.4 | Very low | 32.5 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | 65.4 | 158.9 | 142.4 | -156 | 162.1 | -7.7 | 0 | 0 | 121.2 | ||||
| 839 | S | 28.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 68.1 | 132.1 | -179.7 | -106.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 840 | R | 25.8 | Very low | 32.2 | Very low | 224 Ų | 224 | 161.3 Ų | 161.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | cis | 65.1 | 128.6 | 14.9 | -109.9 | -170.8 | 174.8 | 175.4 | -2.2 | 113.8 | ||||
| 841 | T | 32.4 | Very low | 31.8 | Very low | 119 Ų | 119 | 163.8 Ų | 163.8 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | cis | -156.6 | 170.1 | 5.8 | -17.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 842 | S | 29.2 | Very low | 31.6 | Very low | 93 Ų | 93 | 162.4 Ų | 162.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | cis | -143.6 | -127.5 | 14.1 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 843 | D | 32.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 160 Ų | 160 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -163.2 | 169.2 | -6.2 | -108.7 | -16.5 | 0 | 0 | 0 | 106.2 | ||||
| 844 | M | 30.4 | Very low | 31 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -173.6 | 125.1 | -29.4 | 167 | -178.7 | 62.1 | 0 | 0 | 109.9 | ||||
| 845 | Y | 28.8 | Very low | 30.6 | Very low | 211 Ų | 211 | 153.3 Ų | 153.3 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | -169.7 | 164.4 | 128.9 | -130.1 | -101.3 | 0 | 0 | 0 | 114.7 | |||||
| 846 | R | 29.8 | Very low | 30.5 | Very low | 218 Ų | 218 | 156.1 Ų | 156.1 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | trans | -88.1 | 145.2 | 173.4 | -76 | 168.1 | 149 | 112.2 | -9.3 | 110.1 | ||||
| 847 | N | 32.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | 77.3 | 101.5 | 46.6 | -175.4 | 10.1 | 0 | 0 | 0 | 115.1 | ||||
| 848 | T | 32.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 154.6 Ų | 154.6 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -178.3 | 167.1 | 139 | 21.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 849 | K | 33.6 | Very low | 30.4 | Very low | 168 Ų | 168 | 150 Ų | 150 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | -167.9 | 123.6 | -56.6 | 176 | 173.4 | 177.8 | 177.2 | 0 | 107.6 | |||||
| 850 | D | 36.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 156 Ų | 156 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 14.6 | 137.3 | 159.1 | -39.9 | -42.8 | 0 | 0 | 0 | 121.9 | ||||
| 851 | R | 28.7 | Very low | 31.1 | Very low | 244 Ų | 244 | 152.6 Ų | 152.6 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -148.7 | 132.6 | 141.2 | -137.6 | 174.7 | -167.8 | 162 | 3.9 | 110.9 | ||||
| 852 | D | 33.2 | Very low | 31 | Very low | 142 Ų | 142 | 154.4 Ų | 154.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -57.9 | 161.4 | 171.6 | -54.3 | -90.7 | 0 | 0 | 0 | 111.1 | ||||
| 853 | T | 29.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 157.8 Ų | 157.8 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | -174.1 | 145 | 51.8 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 854 | K | 27 | Very low | 31 | Very low | 191 Ų | 191 | 159.2 Ų | 159.2 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 59 | 146.8 | 153.6 | -90.4 | 177.5 | 179.5 | -178.5 | 0 | 121.8 | ||||
| 855 | S | 27.1 | Very low | 31.1 | Very low | 93 Ų | 93 | 160.5 Ų | 160.5 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | 29.2 | 139.3 | 135 | -112.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 856 | Q | 30.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | cis | -161 | 177.5 | 24.2 | -161.2 | 143.4 | -28.4 | 0 | 0 | 113.1 | ||||
| 857 | D | 32.5 | Very low | 31.3 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -46.6 | 133.6 | 177.8 | -43.6 | -84 | 0 | 0 | 0 | 115 | ||||
| 858 | T | 27.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | -156.7 | 161.4 | 118.4 | -10.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 859 | S | 31.3 | Very low | 31.2 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -30.9 | 150.7 | 164.3 | 55.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 860 | I | 36.9 | Very low | 31 | Very low | 236 Ų | 236 | 154 Ų | 154 | 100% | 1.21 | 80% | 0.804 | S | S | * | * | cis | -137.2 | 0 | 38.1 | -69.4 | 170.9 | 0 | 0 | 0 | 111.6 |
Retrieved 860 of 860 residues in 142.9 ms
(Link to these results)