| 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 | 85.8 | Confident | 94.7 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | 0 | 139.2 | 0 | -59.4 | -52.2 | -80.3 | 0 | 0 | 107.9 | E8 F9 | M1-E8 HydrophobicContact CB-CB 4.47Å; M1-E8 HydrophobicContact CE-CB 4.19Å; M1-E8 HydrophobicContact CE-CG 3.93Å; M1-F9 CarbonylContact C-O 3.55Å; M1-F9 VanDerWaalsContact CA-O 3.24Å; M1-F9 WeakPolarHBondContact CA-O 3.36Å; M1-F9 WeakPolarHBondContact CE-O 3.35Å | |||
| 2 | E | 94.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 70.8 Ų | 70.8 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.7 | 162.8 | -84.4 | 158 | -95.6 | 0 | 0 | 108.5 | E8 F9 R11 | E2-E8 CarbonylContact O-C 3.5Å; E2-E8 VanDerWaalsContact O-CA 3.23Å; E2-E8 WeakPolarHBondContact O-CA 3.31Å; E2-F9 HydrophobicContact CB-CD1 4.03Å; E2-F9 HydrophobicContact CB-CE1 3.46Å; E2-F9 VanDerWaalsContact CB-CE1 3.46Å; E2-F9 HydrophobicContact CB-CE2 4.3Å; E2-F9 HydrophobicContact CB-CZ 3.6Å; E2-F9 HydrophobicContact CG-CZ 4.38Å; E2-F9 PolarHBondContact N-O 2.77Å; E2-F9 PolarHBondContact O-N 2.73Å; E2-R11 WeakPolarHBondContact OE1-CD 3.27Å; E2-R11 WeakPolarHBondContact OE1-CG 3.45Å; E2-R11 IonicContact OE1-CZ 2.71Å; E2-R11 IonicContact OE1-NE 2.74Å; E2-R11 PolarHBondContact OE1-NE 3.5Å; E2-R11 IonicContact OE1-NH2 2.9Å; E2-R11 IonicContact OE2-CZ 3.03Å; E2-R11 IonicContact OE2-NE 3.17Å; E2-R11 PolarHBondContact OE2-NE 3.26Å; E2-R11 IonicContact OE2-NH2 2.7Å; E2-R11 PolarHBondContact OE2-NH2 2.64Å |
| 3 | T | 95.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133 | -173.9 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | F7 E8 | T3-F7 CarbonylContact C-O 3.51Å; T3-F7 WeakPolarHBondContact CA-O 3.37Å; T3-E8 HydrophobicContact CG2-CB 4.33Å |
| 4 | V | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 96 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | K6 F7 F9 V38 Q75 Y82 V84 | V4-K6 PolarHBondContact O-N 2.69Å; V4-K6 VanDerWaalsContact O-N 3.09Å; V4-F7 PolarHBondContact N-O 2.59Å; V4-F7 PolarHBondContact O-N 3Å; V4-F9 HydrophobicContact CG2-CD1 4.2Å; V4-F9 HydrophobicContact CG2-CE1 3.9Å; V4-V38 HydrophobicContact CG2-CG1 4.21Å; V4-Q75 HydrophobicContact CG1-CB 3.7Å; V4-Y82 HydrophobicContact CG2-CD1 3.86Å; V4-Y82 HydrophobicContact CG2-CG 3.95Å; V4-V84 HydrophobicContact CB-CG2 4.06Å; V4-V84 HydrophobicContact CG1-CG2 3.57Å |
| 5 | G | 94.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 73.4 Ų | 73.4 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -112.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F7 R29 | G5-F7 VanDerWaalsContact C-N 3.33Å; G5-R29 PolarHBondContact O-NH1 2.71Å; G5-R29 VanDerWaalsContact O-NH1 3.07Å |
| 6 | K | 96.6 | Very high | 93.9 | Very high | 125 Ų | 125 | 70.6 Ų | 70.6 | 54% | 0.543 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3 | 178 | -61.8 | -169.8 | 178.5 | -170.9 | 0 | 114.3 | V4 R29 | V4-K6 PolarHBondContact O-N 2.69Å; V4-K6 VanDerWaalsContact O-N 3.09Å; K6-R29 VanDerWaalsContact O-CB 3.31Å; K6-R29 WeakPolarHBondContact O-CB 3.22Å; K6-R29 VanDerWaalsContact O-CG 3.28Å; K6-R29 WeakPolarHBondContact O-CG 3.27Å; K6-R29 PolarHBondContact O-N 3.35Å |
| 7 | F | 97.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 157 | -174.7 | -54.6 | -89.3 | 0 | 0 | 0 | 111.5 | T3 V4 G5 R27 H28 V36 L72 D73 V84 | T3-F7 CarbonylContact C-O 3.51Å; T3-F7 WeakPolarHBondContact CA-O 3.37Å; V4-F7 PolarHBondContact N-O 2.59Å; V4-F7 PolarHBondContact O-N 3Å; G5-F7 VanDerWaalsContact C-N 3.33Å; F7-R27 CarbonylContact C-O 3.56Å; F7-R27 WeakPolarHBondContact CA-O 3.47Å; F7-H28 HydrophobicContact CD1-CB 4.04Å; F7-H28 HydrophobicContact CE1-CB 4.04Å; F7-H28 AromaticContact CE1-CD2 3.66Å; F7-H28 AromaticContact CZ-CD2 3.94Å; F7-V36 HydrophobicContact CB-CG2 4.37Å; F7-V36 HydrophobicContact CD1-CB 4.4Å; F7-V36 HydrophobicContact CD1-CG1 3.75Å; F7-V36 HydrophobicContact CD1-CG2 3.84Å; F7-V36 HydrophobicContact CE1-CG1 3.7Å; F7-V36 HydrophobicContact CG-CG2 4.41Å; F7-L72 HydrophobicContact CZ-CB 4.41Å; F7-D73 HydrophobicContact CD2-CB 4.27Å; F7-D73 HydrophobicContact CE2-CB 3.73Å; F7-V84 HydrophobicContact CB-CG1 4.24Å; F7-V84 HydrophobicContact CB-CG2 4.48Å; F7-V84 HydrophobicContact CD1-CG1 3.87Å; F7-V84 HydrophobicContact CD2-CB 4.3Å; F7-V84 HydrophobicContact CD2-CG1 3.76Å; F7-V84 HydrophobicContact CD2-CG2 4.08Å; F7-V84 HydrophobicContact CE1-CG1 4.12Å; F7-V84 HydrophobicContact CE2-CG1 4.03Å; F7-V84 HydrophobicContact CG-CG1 3.68Å; F7-V84 HydrophobicContact CG-CG2 4.41Å; F7-V84 HydrophobicContact CZ-CG1 4.19Å |
| 8 | E | 96.8 | Very high | 91.9 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.5 | 173.7 | 61.4 | 170.3 | -145.9 | 0 | 0 | 111.7 | M1 E2 T3 G26 R27 R29 | M1-E8 HydrophobicContact CB-CB 4.47Å; M1-E8 HydrophobicContact CE-CB 4.19Å; M1-E8 HydrophobicContact CE-CG 3.93Å; E2-E8 CarbonylContact O-C 3.5Å; E2-E8 VanDerWaalsContact O-CA 3.23Å; E2-E8 WeakPolarHBondContact O-CA 3.31Å; T3-E8 HydrophobicContact CG2-CB 4.33Å; E8-G26 CarbonylContact O-C 3.46Å; E8-G26 WeakPolarHBondContact O-CA 3.38Å; E8-R27 HydrophobicContact CG-CG 3.94Å; E8-R27 PolarHBondContact N-O 3.49Å; E8-R27 PolarHBondContact O-N 3.32Å; E8-R27 IonicContact OE1-CZ 2.72Å; E8-R27 IonicContact OE1-NE 3.95Å; E8-R27 PolarHBondContact OE1-NE 3.07Å; E8-R27 IonicContact OE1-NH2 2.84Å; E8-R27 PolarHBondContact OE1-NH2 2.89Å; E8-R29 HydrophobicContact CB-CG 3.81Å; E8-R29 HydrophobicContact CG-CG 3.76Å |
| 9 | F | 97.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 174.8 | 178.6 | 76.9 | -82.2 | 0 | 0 | 0 | 111.8 | M1 E2 V4 R11 F24 V38 Y82 | M1-F9 CarbonylContact C-O 3.55Å; M1-F9 VanDerWaalsContact CA-O 3.24Å; M1-F9 WeakPolarHBondContact CA-O 3.36Å; M1-F9 WeakPolarHBondContact CE-O 3.35Å; E2-F9 HydrophobicContact CB-CD1 4.03Å; E2-F9 HydrophobicContact CB-CE1 3.46Å; E2-F9 VanDerWaalsContact CB-CE1 3.46Å; E2-F9 HydrophobicContact CB-CE2 4.3Å; E2-F9 HydrophobicContact CB-CZ 3.6Å; E2-F9 HydrophobicContact CG-CZ 4.38Å; E2-F9 PolarHBondContact N-O 2.77Å; E2-F9 PolarHBondContact O-N 2.73Å; V4-F9 HydrophobicContact CG2-CD1 4.2Å; V4-F9 HydrophobicContact CG2-CE1 3.9Å; F9-R11 HydrophobicContact CE2-CG 4.34Å; F9-F24 HydrophobicContact CD2-CB 3.62Å; F9-F24 AromaticContact CD2-CD2 3.88Å; F9-F24 HydrophobicContact CD2-CD2 3.88Å; F9-F24 AromaticContact CD2-CG 3.81Å; F9-F24 HydrophobicContact CD2-CG 3.81Å; F9-F24 HydrophobicContact CE2-CB 4.29Å; F9-F24 AromaticContact CE2-CD2 3.65Å; F9-F24 HydrophobicContact CE2-CD2 3.65Å; F9-F24 HydrophobicContact CE2-CE2 4.18Å; F9-F24 HydrophobicContact CE2-CG 4.02Å; F9-F24 HydrophobicContact CG-CB 4.41Å; F9-V38 HydrophobicContact CB-CB 4.41Å; F9-V38 HydrophobicContact CB-CG2 4.01Å; F9-V38 HydrophobicContact CD1-CB 4.27Å; F9-V38 HydrophobicContact CD1-CG1 3.97Å; F9-V38 HydrophobicContact CD1-CG2 4.2Å; F9-V38 HydrophobicContact CE1-CG1 4.11Å; F9-V38 HydrophobicContact CG-CB 4.23Å; F9-V38 HydrophobicContact CG-CG1 4.38Å; F9-V38 HydrophobicContact CG-CG2 4.23Å; F9-Y82 HydrophobicContact CE1-CD1 4.32Å; F9-Y82 HydrophobicContact CE1-CE1 4.17Å; F9-Y82 HydrophobicContact CZ-CD1 4.44Å; F9-Y82 AromaticContact CZ-CE1 3.99Å; F9-Y82 HydrophobicContact CZ-CE1 3.99Å |
| 10 | S | 95.4 | Very high | 89.6 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133 | -178.8 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | K12 D13 | S10-K12 PolarHBondContact O-N 2.95Å; S10-K12 VanDerWaalsContact O-N 3.1Å; S10-K12 WeakPolarHBondContact OG-CB 3.45Å; S10-K12 PolarHBondContact OG-N 3.46Å; S10-D13 WeakPolarHBondContact CB-OD2 3.31Å; S10-D13 PolarHBondContact O-N 3.04Å; S10-D13 PolarHBondContact OG-OD2 2.96Å |
| 11 | R | 93.3 | Very high | 89.3 | Confident | 163 Ų | 163 | 71.5 Ų | 71.5 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -8.8 | 174.2 | -64.1 | -172.2 | -167.4 | -159.2 | 1.4 | 114.3 | E2 F9 F24 | E2-R11 WeakPolarHBondContact OE1-CD 3.27Å; E2-R11 WeakPolarHBondContact OE1-CG 3.45Å; E2-R11 IonicContact OE1-CZ 2.71Å; E2-R11 IonicContact OE1-NE 2.74Å; E2-R11 PolarHBondContact OE1-NE 3.5Å; E2-R11 IonicContact OE1-NH2 2.9Å; E2-R11 IonicContact OE2-CZ 3.03Å; E2-R11 IonicContact OE2-NE 3.17Å; E2-R11 PolarHBondContact OE2-NE 3.26Å; E2-R11 IonicContact OE2-NH2 2.7Å; E2-R11 PolarHBondContact OE2-NH2 2.64Å; F9-R11 HydrophobicContact CE2-CG 4.34Å; R11-F24 HydrophobicContact CB-CE1 4.06Å; R11-F24 HydrophobicContact CB-CZ 4.38Å; R11-F24 HydrophobicContact CG-CE1 4.31Å; R11-F24 HydrophobicContact CG-CZ 4.19Å; R11-F24 WeakPolarHBondContact O-CE1 3.09Å |
| 12 | K | 93 | Very high | 89.5 | Confident | 189 Ų | 189 | 67.2 Ų | 67.2 | 82% | 0.822 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -28.2 | 172.6 | -59 | -174.5 | 178.2 | -175.7 | 0 | 112.1 | S10 L14 | S10-K12 PolarHBondContact O-N 2.95Å; S10-K12 VanDerWaalsContact O-N 3.1Å; S10-K12 WeakPolarHBondContact OG-CB 3.45Å; S10-K12 PolarHBondContact OG-N 3.46Å; K12-L14 PolarHBondContact O-N 3.09Å; K12-L14 VanDerWaalsContact O-N 3.12Å |
| 13 | D | 94.6 | Very high | 89.4 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 52.9 | -170.3 | -52.3 | -30.8 | 0 | 0 | 0 | 109.3 | S10 F24 K25 | S10-D13 WeakPolarHBondContact CB-OD2 3.31Å; S10-D13 PolarHBondContact O-N 3.04Å; S10-D13 PolarHBondContact OG-OD2 2.96Å; D13-F24 CarbonylContact O-C 3.49Å; D13-F24 WeakPolarHBondContact O-CA 3.33Å; D13-K25 HydrophobicContact CB-CB 4.19Å; D13-K25 PolarHBondContact O-N 2.92Å |
| 14 | L | 93.8 | Very high | 89.5 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 127.6 | 178.6 | 178.9 | 67.5 | 0 | 0 | 0 | 110.1 | K12 G16 V22 F24 | K12-L14 PolarHBondContact O-N 3.09Å; K12-L14 VanDerWaalsContact O-N 3.12Å; L14-G16 WeakPolarHBondContact CD1-O 3.48Å; L14-V22 HydrophobicContact CD1-CG1 3.31Å; L14-F24 HydrophobicContact CB-CD1 4.29Å; L14-F24 HydrophobicContact CB-CE1 4.29Å; L14-F24 HydrophobicContact CD1-CD1 4.21Å; L14-F24 HydrophobicContact CD1-CE1 3.88Å; L14-F24 HydrophobicContact CD1-CZ 4.43Å |
| 15 | I | 92.1 | Very high | 89.6 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 41% | 0.41 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | -9.1 | 177.9 | 61 | 173.7 | 0 | 0 | 0 | 113.8 | V23 K25 A37 Y87 | I15-V23 HydrophobicContact CD1-CG1 4.01Å; I15-V23 HydrophobicContact CG1-CB 4.19Å; I15-V23 HydrophobicContact CG1-CG1 3.9Å; I15-V23 WeakPolarHBondContact CG1-O 3.5Å; I15-V23 PolarHBondContact N-O 3.35Å; I15-K25 HydrophobicContact CD1-CB 4.42Å; I15-K25 HydrophobicContact CG2-CB 3.91Å; I15-A37 HydrophobicContact CD1-CB 4.08Å; I15-Y87 HydrophobicContact CD1-CD2 3.95Å; I15-Y87 HydrophobicContact CD1-CE2 3.82Å |
| 16 | G | 86.4 | Confident | 89.8 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 149.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L14 V23 | L14-G16 WeakPolarHBondContact CD1-O 3.48Å; G16-V23 PolarHBondContact N-O 3.49Å; G16-V23 VanDerWaalsContact N-O 3.14Å; G16-V23 PolarHBondContact O-N 3.31Å |
| 17 | H | 82.1 | Confident | 89.8 | Confident | 147 Ų | 147 | 62.1 Ų | 62.1 | 68% | 0.681 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 123.4 | 176.6 | -170.3 | -18 | 0 | 0 | 0 | 109.1 | ||
| 18 | G | 70.9 | Confident | 89.8 | Confident | 40 Ų | 40 | 62 Ų | 62 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | trans | -123.4 | 176.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | F20 A21 | G18-F20 VanDerWaalsContact C-N 3.26Å; G18-F20 PolarHBondContact O-N 3.47Å; G18-A21 PolarHBondContact N-O 3.08Å; G18-A21 VanDerWaalsContact O-O 3.1Å | ||
| 19 | A | 67.1 | Low | 89.7 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -58.9 | -33.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 20 | F | 70 | Confident | 89.6 | Confident | 119 Ų | 119 | 73.7 Ų | 73.7 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -98.8 | -24.8 | -175.9 | -52.4 | -62.9 | 0 | 0 | 0 | 113.9 | G18 I41 F161 | G18-F20 VanDerWaalsContact C-N 3.26Å; G18-F20 PolarHBondContact O-N 3.47Å; F20-I41 WeakPolarHBondContact O-CG2 3.45Å; F20-F161 HydrophobicContact CE2-CZ 4.02Å |
| 21 | A | 83.2 | Confident | 89.5 | Confident | 14 Ų | 14 | 78.8 Ų | 78.8 | 12% | 0.116 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G18 K39 C40 I41 | G18-A21 PolarHBondContact N-O 3.08Å; G18-A21 VanDerWaalsContact O-O 3.1Å; A21-K39 HydrophobicContact CB-CD 4.25Å; A21-K39 HydrophobicContact CB-CG 3.83Å; A21-C40 WeakPolarHBondContact CA-O 3.5Å; A21-I41 HydrophobicContact CB-CG1 4.09Å; A21-I41 HydrophobicContact CB-CG2 4.14Å |
| 22 | V | 89.3 | Confident | 89.4 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.1 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 108.6 | L14 F24 C40 | L14-V22 HydrophobicContact CD1-CG1 3.31Å; V22-F24 HydrophobicContact CB-CE2 4.02Å; V22-F24 HydrophobicContact CB-CZ 4.16Å; V22-F24 HydrophobicContact CG1-CE1 4.02Å; V22-F24 HydrophobicContact CG1-CE2 3.69Å; V22-F24 HydrophobicContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact CG1-CZ 3.4Å; V22-C40 PolarHBondContact N-O 2.88Å; V22-C40 WeakPolarHBondContact O-CB 3.3Å; V22-C40 PolarHBondContact O-N 3.09Å |
| 23 | V | 94.1 | Very high | 89.2 | Confident | 30 Ų | 30 | 74 Ų | 74 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.2 | -173.9 | -165.7 | 0 | 0 | 0 | 0 | 110.1 | I15 G16 A37 V38 K39 | I15-V23 HydrophobicContact CD1-CG1 4.01Å; I15-V23 HydrophobicContact CG1-CB 4.19Å; I15-V23 HydrophobicContact CG1-CG1 3.9Å; I15-V23 WeakPolarHBondContact CG1-O 3.5Å; I15-V23 PolarHBondContact N-O 3.35Å; G16-V23 PolarHBondContact N-O 3.49Å; G16-V23 VanDerWaalsContact N-O 3.14Å; G16-V23 PolarHBondContact O-N 3.31Å; V23-A37 HydrophobicContact CG1-CB 4.1Å; V23-V38 WeakPolarHBondContact CA-O 3.49Å; V23-K39 HydrophobicContact CG1-CB 4.42Å; V23-K39 HydrophobicContact CG2-CB 4.03Å; V23-K39 HydrophobicContact CG2-CG 4.12Å |
| 24 | F | 96.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 150.3 | 178.5 | -57.1 | -81.6 | 0 | 0 | 0 | 111 | F9 R11 D13 L14 V22 V38 C40 | F9-F24 HydrophobicContact CD2-CB 3.62Å; F9-F24 AromaticContact CD2-CD2 3.88Å; F9-F24 HydrophobicContact CD2-CD2 3.88Å; F9-F24 AromaticContact CD2-CG 3.81Å; F9-F24 HydrophobicContact CD2-CG 3.81Å; F9-F24 HydrophobicContact CE2-CB 4.29Å; F9-F24 AromaticContact CE2-CD2 3.65Å; F9-F24 HydrophobicContact CE2-CD2 3.65Å; F9-F24 HydrophobicContact CE2-CE2 4.18Å; F9-F24 HydrophobicContact CE2-CG 4.02Å; F9-F24 HydrophobicContact CG-CB 4.41Å; R11-F24 HydrophobicContact CB-CE1 4.06Å; R11-F24 HydrophobicContact CB-CZ 4.38Å; R11-F24 HydrophobicContact CG-CE1 4.31Å; R11-F24 HydrophobicContact CG-CZ 4.19Å; R11-F24 WeakPolarHBondContact O-CE1 3.09Å; D13-F24 CarbonylContact O-C 3.49Å; D13-F24 WeakPolarHBondContact O-CA 3.33Å; L14-F24 HydrophobicContact CB-CD1 4.29Å; L14-F24 HydrophobicContact CB-CE1 4.29Å; L14-F24 HydrophobicContact CD1-CD1 4.21Å; L14-F24 HydrophobicContact CD1-CE1 3.88Å; L14-F24 HydrophobicContact CD1-CZ 4.43Å; V22-F24 HydrophobicContact CB-CE2 4.02Å; V22-F24 HydrophobicContact CB-CZ 4.16Å; V22-F24 HydrophobicContact CG1-CE1 4.02Å; V22-F24 HydrophobicContact CG1-CE2 3.69Å; V22-F24 HydrophobicContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact CG1-CZ 3.4Å; F24-V38 PolarHBondContact N-O 3.27Å; F24-V38 PolarHBondContact O-N 2.78Å; F24-C40 HydrophobicContact CD2-CB 4.45Å; F24-C40 HydrophobicContact CE2-CB 4.16Å |
| 25 | K | 97.3 | Very high | 89.3 | Confident | 49 Ų | 49 | 75 Ų | 75 | 21% | 0.213 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.3 | 164.9 | -167.2 | 170.7 | -175.5 | 171.6 | 0 | 109.8 | D13 I15 E35 Y87 | D13-K25 HydrophobicContact CB-CB 4.19Å; D13-K25 PolarHBondContact O-N 2.92Å; I15-K25 HydrophobicContact CD1-CB 4.42Å; I15-K25 HydrophobicContact CG2-CB 3.91Å; K25-E35 WeakPolarHBondContact CE-OE1 3.49Å; K25-E35 WeakPolarHBondContact CE-OE2 3.29Å; K25-E35 IonicContact NZ-OE1 3.68Å; K25-E35 PolarHBondContact NZ-OE1 3.28Å; K25-E35 IonicContact NZ-OE2 3.63Å; K25-E35 PolarHBondContact NZ-OE2 2.73Å; K25-Y87 HydrophobicContact CD-CE1 4.15Å; K25-Y87 HydrophobicContact CD-CE2 3.95Å; K25-Y87 VanDerWaalsContact CE-CZ 3.46Å; K25-Y87 HydrophobicContact CG-CD2 4.35Å; K25-Y87 HydrophobicContact CG-CE2 4.12Å; K25-Y87 PolarHBondContact NZ-OH 3.22Å |
| 26 | G | 97.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | -170.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E8 E35 V36 | E8-G26 CarbonylContact O-C 3.46Å; E8-G26 WeakPolarHBondContact O-CA 3.38Å; G26-E35 WeakPolarHBondContact O-CA 3.28Å; G26-V36 PolarHBondContact N-O 2.85Å; G26-V36 PolarHBondContact O-N 2.75Å |
| 27 | R | 96.8 | Very high | 90.1 | Very high | 92 Ų | 92 | 70.1 Ų | 70.1 | 35% | 0.347 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 163.8 | 178.8 | 63 | -171.6 | 177.4 | -176.2 | 1.6 | 112.3 | F7 E8 W34 | F7-R27 CarbonylContact C-O 3.56Å; F7-R27 WeakPolarHBondContact CA-O 3.47Å; E8-R27 HydrophobicContact CG-CG 3.94Å; E8-R27 PolarHBondContact N-O 3.49Å; E8-R27 PolarHBondContact O-N 3.32Å; E8-R27 IonicContact OE1-CZ 2.72Å; E8-R27 IonicContact OE1-NE 3.95Å; E8-R27 PolarHBondContact OE1-NE 3.07Å; E8-R27 IonicContact OE1-NH2 2.84Å; E8-R27 PolarHBondContact OE1-NH2 2.89Å; R27-W34 CarbonylContact C-O 3.55Å; R27-W34 WeakPolarHBondContact CA-O 3.3Å |
| 28 | H | 97.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.9 | 168 | -170.9 | -92.8 | 0 | 0 | 0 | 110.7 | F7 E30 K31 W34 | F7-H28 HydrophobicContact CD1-CB 4.04Å; F7-H28 HydrophobicContact CE1-CB 4.04Å; F7-H28 AromaticContact CE1-CD2 3.66Å; F7-H28 AromaticContact CZ-CD2 3.94Å; H28-E30 VanDerWaalsContact C-N 3.28Å; H28-E30 IonicContact CE1-OE2 3.3Å; H28-E30 PolarHBondContact CE1-OE2 3Å; H28-E30 PolarHBondContact ND1-N 3.37Å; H28-E30 PolarHBondContact O-N 3.49Å; H28-K31 HydrophobicContact CB-CB 4.08Å; H28-K31 PolarHBondContact ND1-N 3.03Å; H28-K31 CarbonylContact O-C 3.53Å; H28-K31 VanDerWaalsContact O-C 3.27Å; H28-K31 PolarHBondContact O-N 3.07Å; H28-K31 VanDerWaalsContact O-N 3.11Å; H28-K31 VanDerWaalsContact O-O 3.14Å; H28-W34 HydrophobicContact CB-CB 4.05Å; H28-W34 HydrophobicContact CB-CD2 4.21Å; H28-W34 HydrophobicContact CB-CE3 3.8Å; H28-W34 HydrophobicContact CB-CG 4.33Å; H28-W34 AromaticContact CD2-CE3 3.92Å; H28-W34 AromaticContact CD2-CZ3 3.92Å; H28-W34 AromaticContact CG-CE3 3.83Å; H28-W34 PolarHBondContact N-O 3.13Å |
| 29 | R | 95.9 | Very high | 91.8 | Very high | 129 Ų | 129 | 61.8 Ų | 61.8 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.8 | -171.2 | -70.6 | 167.1 | 62.3 | -152.7 | -6 | 113.8 | G5 K6 E8 | G5-R29 PolarHBondContact O-NH1 2.71Å; G5-R29 VanDerWaalsContact O-NH1 3.07Å; K6-R29 VanDerWaalsContact O-CB 3.31Å; K6-R29 WeakPolarHBondContact O-CB 3.22Å; K6-R29 VanDerWaalsContact O-CG 3.28Å; K6-R29 WeakPolarHBondContact O-CG 3.27Å; K6-R29 PolarHBondContact O-N 3.35Å; E8-R29 HydrophobicContact CB-CG 3.81Å; E8-R29 HydrophobicContact CG-CG 3.76Å |
| 30 | E | 94.8 | Very high | 93 | Very high | 148 Ų | 148 | 60.3 Ų | 60.3 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -11.7 | 179.1 | -55.5 | 163.3 | 177.6 | 0 | 0 | 113 | H28 | H28-E30 VanDerWaalsContact C-N 3.28Å; H28-E30 IonicContact CE1-OE2 3.3Å; H28-E30 PolarHBondContact CE1-OE2 3Å; H28-E30 PolarHBondContact ND1-N 3.37Å; H28-E30 PolarHBondContact O-N 3.49Å |
| 31 | K | 94.4 | Very high | 93.7 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 79.4 | -173 | -67.1 | -179.1 | 176.3 | -177.2 | 0 | 108 | H28 D33 W34 | H28-K31 HydrophobicContact CB-CB 4.08Å; H28-K31 PolarHBondContact ND1-N 3.03Å; H28-K31 CarbonylContact O-C 3.53Å; H28-K31 VanDerWaalsContact O-C 3.27Å; H28-K31 PolarHBondContact O-N 3.07Å; H28-K31 VanDerWaalsContact O-N 3.11Å; H28-K31 VanDerWaalsContact O-O 3.14Å; K31-D33 PolarHBondContact O-N 3.12Å; K31-D33 VanDerWaalsContact O-N 3.16Å; K31-W34 HydrophobicContact CB-CB 4.13Å; K31-W34 HydrophobicContact CD-CE3 4.01Å; K31-W34 HydrophobicContact CD-CZ3 4.5Å; K31-W34 WeakPolarHBondContact O-CB 3.44Å; K31-W34 PolarHBondContact O-N 3.46Å |
| 32 | L | 89.8 | Confident | 93.6 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -27.3 | -164.5 | -57.2 | 179.9 | 0 | 0 | 0 | 113.7 | W34 | L32-W34 VanDerWaalsContact C-N 3.31Å |
| 33 | D | 89.7 | Confident | 93 | Very high | 159 Ų | 159 | 57.7 Ų | 57.7 | 85% | 0.85 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | -10.2 | 176 | -47.5 | -59.7 | 0 | 0 | 0 | 113.5 | K31 E35 | K31-D33 PolarHBondContact O-N 3.12Å; K31-D33 VanDerWaalsContact O-N 3.16Å; D33-E35 PolarHBondContact O-N 3.29Å; D33-E35 VanDerWaalsContact O-N 3.13Å |
| 34 | W | 94.1 | Very high | 91.9 | Very high | 110 Ų | 110 | 64.4 Ų | 64.4 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 85.1 | 174.9 | -171.8 | 5.2 | 0 | 0 | 0 | 109.8 | R27 H28 K31 L32 L72 | R27-W34 CarbonylContact C-O 3.55Å; R27-W34 WeakPolarHBondContact CA-O 3.3Å; H28-W34 HydrophobicContact CB-CB 4.05Å; H28-W34 HydrophobicContact CB-CD2 4.21Å; H28-W34 HydrophobicContact CB-CE3 3.8Å; H28-W34 HydrophobicContact CB-CG 4.33Å; H28-W34 AromaticContact CD2-CE3 3.92Å; H28-W34 AromaticContact CD2-CZ3 3.92Å; H28-W34 AromaticContact CG-CE3 3.83Å; H28-W34 PolarHBondContact N-O 3.13Å; K31-W34 HydrophobicContact CB-CB 4.13Å; K31-W34 HydrophobicContact CD-CE3 4.01Å; K31-W34 HydrophobicContact CD-CZ3 4.5Å; K31-W34 WeakPolarHBondContact O-CB 3.44Å; K31-W34 PolarHBondContact O-N 3.46Å; L32-W34 VanDerWaalsContact C-N 3.31Å; W34-L72 HydrophobicContact CZ2-CD1 4.32Å |
| 35 | E | 95.8 | Very high | 89.9 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 143.4 | 176.6 | -50.1 | -165.8 | 128.1 | 0 | 0 | 111.8 | K25 G26 D33 Y87 | K25-E35 WeakPolarHBondContact CE-OE1 3.49Å; K25-E35 WeakPolarHBondContact CE-OE2 3.29Å; K25-E35 IonicContact NZ-OE1 3.68Å; K25-E35 PolarHBondContact NZ-OE1 3.28Å; K25-E35 IonicContact NZ-OE2 3.63Å; K25-E35 PolarHBondContact NZ-OE2 2.73Å; G26-E35 WeakPolarHBondContact O-CA 3.28Å; D33-E35 PolarHBondContact O-N 3.29Å; D33-E35 VanDerWaalsContact O-N 3.13Å; E35-Y87 HydrophobicContact CB-CD1 3.73Å; E35-Y87 HydrophobicContact CB-CG 4.18Å; E35-Y87 VanDerWaalsContact OE2-CD1 3.27Å; E35-Y87 WeakPolarHBondContact OE2-CD1 3.44Å; E35-Y87 WeakPolarHBondContact OE2-CE1 3.18Å |
| 36 | V | 97.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.5 | 178.8 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | F7 G26 V38 L72 V84 M85 | F7-V36 HydrophobicContact CB-CG2 4.37Å; F7-V36 HydrophobicContact CD1-CB 4.4Å; F7-V36 HydrophobicContact CD1-CG1 3.75Å; F7-V36 HydrophobicContact CD1-CG2 3.84Å; F7-V36 HydrophobicContact CE1-CG1 3.7Å; F7-V36 HydrophobicContact CG-CG2 4.41Å; G26-V36 PolarHBondContact N-O 2.85Å; G26-V36 PolarHBondContact O-N 2.75Å; V36-V38 HydrophobicContact CG2-CG2 4.22Å; V36-L72 HydrophobicContact CB-CD1 4.46Å; V36-L72 HydrophobicContact CG1-CD1 3.56Å; V36-V84 HydrophobicContact CB-CG1 3.88Å; V36-V84 HydrophobicContact CG1-CG1 4.11Å; V36-V84 HydrophobicContact CG2-CG1 3.86Å; V36-M85 WeakPolarHBondContact CA-O 3.27Å; V36-M85 WeakPolarHBondContact CB-O 3.38Å |
| 37 | A | 97.8 | Very high | 86.3 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I15 V23 M85 | I15-A37 HydrophobicContact CD1-CB 4.08Å; V23-A37 HydrophobicContact CG1-CB 4.1Å; A37-M85 HydrophobicContact CB-CB 4.45Å; A37-M85 HydrophobicContact CB-CE 4.48Å; A37-M85 PolarHBondContact N-O 2.75Å; A37-M85 PolarHBondContact O-N 3.09Å |
| 38 | V | 96.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 103.3 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | V4 F9 V23 F24 V36 Y82 L83 | V4-V38 HydrophobicContact CG2-CG1 4.21Å; F9-V38 HydrophobicContact CB-CB 4.41Å; F9-V38 HydrophobicContact CB-CG2 4.01Å; F9-V38 HydrophobicContact CD1-CB 4.27Å; F9-V38 HydrophobicContact CD1-CG1 3.97Å; F9-V38 HydrophobicContact CD1-CG2 4.2Å; F9-V38 HydrophobicContact CE1-CG1 4.11Å; F9-V38 HydrophobicContact CG-CB 4.23Å; F9-V38 HydrophobicContact CG-CG1 4.38Å; F9-V38 HydrophobicContact CG-CG2 4.23Å; V23-V38 WeakPolarHBondContact CA-O 3.49Å; F24-V38 PolarHBondContact N-O 3.27Å; F24-V38 PolarHBondContact O-N 2.78Å; V36-V38 HydrophobicContact CG2-CG2 4.22Å; V38-Y82 HydrophobicContact CG1-CD1 4.18Å; V38-L83 CarbonylContact C-O 3.56Å; V38-L83 WeakPolarHBondContact CA-O 3.42Å |
| 39 | K | 93.3 | Very high | 82.1 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.7 | 175.6 | 173.9 | 175 | 166.9 | -172.3 | 0 | 109 | A21 V23 I41 E56 L83 M85 D158 | A21-K39 HydrophobicContact CB-CD 4.25Å; A21-K39 HydrophobicContact CB-CG 3.83Å; V23-K39 HydrophobicContact CG1-CB 4.42Å; V23-K39 HydrophobicContact CG2-CB 4.03Å; V23-K39 HydrophobicContact CG2-CG 4.12Å; K39-I41 HydrophobicContact CG-CD1 4.24Å; K39-I41 HydrophobicContact CG-CG1 4.18Å; K39-E56 VanDerWaalsContact NZ-CD 3.27Å; K39-E56 IonicContact NZ-OE1 2.76Å; K39-E56 PolarHBondContact NZ-OE1 2.84Å; K39-E56 IonicContact NZ-OE2 3.4Å; K39-E56 PolarHBondContact NZ-OE2 2.65Å; K39-E56 VanDerWaalsContact NZ-OE2 3.1Å; K39-L83 HydrophobicContact CB-CB 4.26Å; K39-L83 HydrophobicContact CD-CD1 4.13Å; K39-L83 HydrophobicContact CG-CD1 4.46Å; K39-L83 PolarHBondContact N-O 3.4Å; K39-L83 PolarHBondContact O-N 3.18Å; K39-M85 HydrophobicContact CB-CE 3.56Å; K39-M85 HydrophobicContact CB-SD 4.48Å; K39-M85 HydrophobicContact CD-CE 4.2Å; K39-M85 HydrophobicContact CG-CE 4.49Å; K39-D158 IonicContact NZ-OD1 2.72Å; K39-D158 PolarHBondContact NZ-OD1 3.13Å |
| 40 | C | 91 | Very high | 80.5 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.9 | -179 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | A21 V22 F24 Y82 | A21-C40 WeakPolarHBondContact CA-O 3.5Å; V22-C40 PolarHBondContact N-O 2.88Å; V22-C40 WeakPolarHBondContact O-CB 3.3Å; V22-C40 PolarHBondContact O-N 3.09Å; F24-C40 HydrophobicContact CD2-CB 4.45Å; F24-C40 HydrophobicContact CE2-CB 4.16Å; C40-Y82 HydrophobicContact CB-CD1 4.31Å; C40-Y82 HydrophobicContact CB-CE1 4.3Å; C40-Y82 WeakPolarHBondContact SG-CD1 3.37Å; C40-Y82 VanDerWaalsContact SG-CE1 3.55Å |
| 41 | I | 85.3 | Confident | 78.9 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.8 | -171.9 | -28.2 | -177.2 | 0 | 0 | 0 | 109.4 | F20 A21 K39 L46 L53 S80 V81 L83 | F20-I41 WeakPolarHBondContact O-CG2 3.45Å; A21-I41 HydrophobicContact CB-CG1 4.09Å; A21-I41 HydrophobicContact CB-CG2 4.14Å; K39-I41 HydrophobicContact CG-CD1 4.24Å; K39-I41 HydrophobicContact CG-CG1 4.18Å; I41-L46 HydrophobicContact CB-CD1 4.42Å; I41-L46 HydrophobicContact CG2-CD1 3.79Å; I41-L46 HydrophobicContact CG2-CD2 4.17Å; I41-L53 HydrophobicContact CB-CD1 4.07Å; I41-L53 HydrophobicContact CD1-CD1 3.98Å; I41-L53 HydrophobicContact CD1-CD2 3.59Å; I41-L53 HydrophobicContact CD1-CG 4.43Å; I41-L53 HydrophobicContact CG2-CD1 3.96Å; I41-L53 HydrophobicContact CG2-CD2 4.18Å; I41-S80 CarbonylContact O-C 3.45Å; I41-S80 VanDerWaalsContact O-CA 3.26Å; I41-S80 WeakPolarHBondContact O-CA 3.41Å; I41-V81 HydrophobicContact CB-CB 4.4Å; I41-V81 PolarHBondContact N-O 3.01Å; I41-V81 PolarHBondContact O-N 3.19Å; I41-L83 HydrophobicContact CD1-CD1 3.99Å; I41-L83 HydrophobicContact CD1-CG 4.34Å |
| 42 | N | 80.5 | Confident | 77.5 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 112.5 | -168.4 | 173.3 | 11.8 | 0 | 0 | 0 | 112.4 | K44 N45 L46 S79 | N42-K44 PolarHBondContact O-N 2.97Å; N42-K44 VanDerWaalsContact O-N 3.08Å; N42-K44 WeakPolarHBondContact OD1-CB 3.23Å; N42-K44 PolarHBondContact OD1-N 3.42Å; N42-K44 VanDerWaalsContact OD1-N 3.09Å; N42-N45 PolarHBondContact ND2-OD1 3.15Å; N42-N45 VanDerWaalsContact ND2-OD1 3.16Å; N42-N45 PolarHBondContact O-N 3.28Å; N42-L46 VanDerWaalsContact O-CG 3.29Å; N42-L46 WeakPolarHBondContact O-CG 3.48Å; N42-S79 PolarHBondContact OD1-O 3.28Å |
| 43 | K | 77.4 | Confident | 76.8 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -55.8 | -28.8 | -177.8 | -68.7 | -178.8 | 165.9 | -174.6 | 0 | 114.5 | N45 L46 E76 T77 A78 S79 | K43-N45 PolarHBondContact O-N 3.27Å; K43-L46 PolarHBondContact O-N 3.18Å; K43-L46 VanDerWaalsContact O-N 3.11Å; K43-E76 WeakPolarHBondContact CE-OE1 3.28Å; K43-E76 VanDerWaalsContact NZ-CG 3.27Å; K43-E76 IonicContact NZ-OE1 2.7Å; K43-E76 PolarHBondContact NZ-OE1 2.97Å; K43-T77 VanDerWaalsContact CE-O 3.3Å; K43-T77 WeakPolarHBondContact CE-O 3.43Å; K43-T77 PolarHBondContact NZ-O 3.48Å; K43-A78 WeakPolarHBondContact CD-O 3.44Å; K43-S79 VanDerWaalsContact CB-O 3.29Å; K43-S79 WeakPolarHBondContact CB-O 3.49Å; K43-S79 PolarHBondContact N-O 3.46Å |
| 44 | K | 70.4 | Confident | 76.3 | Confident | 172 Ų | 172 | 55.5 Ų | 55.5 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -63 | -26.4 | 178.3 | -62 | -173.3 | 176.5 | -173.9 | 0 | 113 | N42 | N42-K44 PolarHBondContact O-N 2.97Å; N42-K44 VanDerWaalsContact O-N 3.08Å; N42-K44 WeakPolarHBondContact OD1-CB 3.23Å; N42-K44 PolarHBondContact OD1-N 3.42Å; N42-K44 VanDerWaalsContact OD1-N 3.09Å |
| 45 | N | 55.2 | Low | 75.6 | Confident | 96 Ų | 96 | 54.6 Ų | 54.6 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -96.8 | 2.4 | 179.7 | -60.7 | 31.8 | 0 | 0 | 0 | 112.2 | N42 K43 | N42-N45 PolarHBondContact ND2-OD1 3.15Å; N42-N45 VanDerWaalsContact ND2-OD1 3.16Å; N42-N45 PolarHBondContact O-N 3.28Å; K43-N45 PolarHBondContact O-N 3.27Å |
| 46 | L | 61.4 | Low | 75.1 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -112.6 | 27.9 | -165.9 | -63.9 | 172.5 | 0 | 0 | 0 | 114.4 | I41 N42 K43 K48 S49 Q50 L53 | I41-L46 HydrophobicContact CB-CD1 4.42Å; I41-L46 HydrophobicContact CG2-CD1 3.79Å; I41-L46 HydrophobicContact CG2-CD2 4.17Å; N42-L46 VanDerWaalsContact O-CG 3.29Å; N42-L46 WeakPolarHBondContact O-CG 3.48Å; K43-L46 PolarHBondContact O-N 3.18Å; K43-L46 VanDerWaalsContact O-N 3.11Å; L46-K48 VanDerWaalsContact C-N 3.25Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-K48 VanDerWaalsContact O-N 3.08Å; L46-S49 PolarHBondContact O-N 3.15Å; L46-Q50 PolarHBondContact O-N 3.47Å; L46-L53 HydrophobicContact CD1-CD1 3.46Å; L46-L53 VanDerWaalsContact CD1-CD1 3.46Å; L46-L53 HydrophobicContact CD1-CG 4.25Å | ||
| 47 | G | 58.4 | Low | 74.6 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 87% | 0.866 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 48 | K | 50.8 | Low | 74.3 | Confident | 118 Ų | 118 | 56.4 Ų | 56.4 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.3 | 169.7 | -60.1 | -171 | -174.3 | -172 | 0 | 114.1 | L46 A680 F681 | L46-K48 VanDerWaalsContact C-N 3.25Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-K48 VanDerWaalsContact O-N 3.08Å; K48-A680 PolarHBondContact NZ-O 3.26Å; K48-F681 HydrophobicContact CD-CD1 4.12Å; K48-F681 HydrophobicContact CD-CE1 4.31Å |
| 49 | S | 53.3 | Low | 74.1 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -10.8 | -159.5 | -169 | 0 | 0 | 0 | 0 | 114.1 | L46 T51 L52 L53 | L46-S49 PolarHBondContact O-N 3.15Å; S49-T51 PolarHBondContact O-N 3.14Å; S49-L52 WeakPolarHBondContact O-CA 3.15Å; S49-L52 WeakPolarHBondContact O-CB 3.33Å; S49-L52 PolarHBondContact O-N 3.49Å; S49-L53 PolarHBondContact O-N 2.82Å |
| 50 | Q | 62.3 | Low | 74 | Confident | 115 Ų | 115 | 56.2 Ų | 56.2 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.5 | -37.5 | 170.3 | -170.5 | 175.6 | 5.7 | 0 | 0 | 112.1 | L46 L52 L53 G54 | L46-Q50 PolarHBondContact O-N 3.47Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 2.64Å; Q50-L53 PolarHBondContact O-N 3.18Å; Q50-G54 PolarHBondContact O-N 3.45Å; Q50-G54 VanDerWaalsContact O-N 3.12Å |
| 51 | T | 62.3 | Low | 74 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69.8 | -21.8 | 174.6 | -45.4 | 0 | 0 | 0 | 0 | 113.6 | S49 K55 | S49-T51 PolarHBondContact O-N 3.14Å; T51-K55 VanDerWaalsContact O-CD 3.3Å; T51-K55 WeakPolarHBondContact O-CD 3.5Å; T51-K55 VanDerWaalsContact O-CG 3.31Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å |
| 52 | L | 65.6 | Low | 74.3 | Confident | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.8 | -41.1 | 170.8 | -63.1 | 176 | 0 | 0 | 0 | 110.5 | S49 Q50 G54 K55 E56 | S49-L52 WeakPolarHBondContact O-CA 3.15Å; S49-L52 WeakPolarHBondContact O-CB 3.33Å; S49-L52 PolarHBondContact O-N 3.49Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 2.64Å; L52-G54 PolarHBondContact O-N 3.16Å; L52-K55 CarbonylContact O-C 3.27Å; L52-K55 WeakPolarHBondContact O-CA 3.07Å; L52-K55 WeakPolarHBondContact O-CB 3.43Å; L52-K55 PolarHBondContact O-N 2.92Å; L52-E56 PolarHBondContact O-N 3.46Å |
| 53 | L | 75.4 | Confident | 74.9 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 176.4 | -62.3 | -164.1 | 0 | 0 | 0 | 113.2 | I41 L46 S49 Q50 K55 E56 I57 V81 | I41-L53 HydrophobicContact CB-CD1 4.07Å; I41-L53 HydrophobicContact CD1-CD1 3.98Å; I41-L53 HydrophobicContact CD1-CD2 3.59Å; I41-L53 HydrophobicContact CD1-CG 4.43Å; I41-L53 HydrophobicContact CG2-CD1 3.96Å; I41-L53 HydrophobicContact CG2-CD2 4.18Å; L46-L53 HydrophobicContact CD1-CD1 3.46Å; L46-L53 VanDerWaalsContact CD1-CD1 3.46Å; L46-L53 HydrophobicContact CD1-CG 4.25Å; S49-L53 PolarHBondContact O-N 2.82Å; Q50-L53 PolarHBondContact O-N 3.18Å; L53-K55 PolarHBondContact O-N 3.49Å; L53-E56 PolarHBondContact O-N 3.14Å; L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.14Å; L53-V81 HydrophobicContact CD1-CB 3.98Å; L53-V81 HydrophobicContact CD1-CG1 4.41Å; L53-V81 HydrophobicContact CD1-CG2 3.77Å |
| 54 | G | 78.1 | Confident | 75.7 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.6 | -31.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q50 L52 K58 | Q50-G54 PolarHBondContact O-N 3.45Å; Q50-G54 VanDerWaalsContact O-N 3.12Å; L52-G54 PolarHBondContact O-N 3.16Å; G54-K58 WeakPolarHBondContact O-CB 3.41Å; G54-K58 PolarHBondContact O-N 2.99Å |
| 55 | K | 78.9 | Confident | 76.9 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 39% | 0.391 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -76.8 | -45 | 174.8 | -67.6 | 166.6 | -174 | 172 | 0 | 111.7 | T51 L52 L53 I57 K58 I59 | T51-K55 VanDerWaalsContact O-CD 3.3Å; T51-K55 WeakPolarHBondContact O-CD 3.5Å; T51-K55 VanDerWaalsContact O-CG 3.31Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; L52-K55 CarbonylContact O-C 3.27Å; L52-K55 WeakPolarHBondContact O-CA 3.07Å; L52-K55 WeakPolarHBondContact O-CB 3.43Å; L52-K55 PolarHBondContact O-N 2.92Å; L53-K55 PolarHBondContact O-N 3.49Å; K55-I57 PolarHBondContact O-N 2.97Å; K55-K58 PolarHBondContact O-N 3.12Å; K55-I59 WeakPolarHBondContact O-CB 3.41Å; K55-I59 VanDerWaalsContact O-CG1 3.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.5Å |
| 56 | E | 85.8 | Confident | 78.8 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.7 | -49.5 | 175.3 | -179.4 | 174.5 | -168.2 | 0 | 0 | 110.8 | K39 L52 L53 K58 I59 L60 L83 F159 G160 | K39-E56 VanDerWaalsContact NZ-CD 3.27Å; K39-E56 IonicContact NZ-OE1 2.76Å; K39-E56 PolarHBondContact NZ-OE1 2.84Å; K39-E56 IonicContact NZ-OE2 3.4Å; K39-E56 PolarHBondContact NZ-OE2 2.65Å; K39-E56 VanDerWaalsContact NZ-OE2 3.1Å; L52-E56 PolarHBondContact O-N 3.46Å; L53-E56 PolarHBondContact O-N 3.14Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 2.97Å; E56-I59 PolarHBondContact O-N 3.2Å; E56-L60 HydrophobicContact CG-CD1 3.76Å; E56-L60 HydrophobicContact CG-CG 4.32Å; E56-L60 WeakPolarHBondContact O-CB 3.47Å; E56-L60 WeakPolarHBondContact O-CG 3.08Å; E56-L60 PolarHBondContact O-N 3.45Å; E56-L83 HydrophobicContact CG-CD1 4.46Å; E56-F159 HydrophobicContact CG-CB 4.33Å; E56-G160 WeakPolarHBondContact OE2-CA 3.29Å |
| 57 | I | 87.7 | Confident | 80.5 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.7 | -69.5 | 164.8 | 0 | 0 | 0 | 111.5 | L53 K55 K61 F74 V81 L83 | L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.14Å; K55-I57 PolarHBondContact O-N 2.97Å; I57-K61 HydrophobicContact CG2-CD 4Å; I57-K61 WeakPolarHBondContact O-CB 3.49Å; I57-K61 WeakPolarHBondContact O-CD 3.42Å; I57-K61 VanDerWaalsContact O-CG 3.23Å; I57-K61 WeakPolarHBondContact O-CG 3.42Å; I57-K61 PolarHBondContact O-N 3.42Å; I57-K61 VanDerWaalsContact O-N 3.08Å; I57-F74 HydrophobicContact CD1-CD2 4.03Å; I57-F74 HydrophobicContact CG2-CD2 4.1Å; I57-F74 HydrophobicContact CG2-CE2 4.25Å; I57-F74 HydrophobicContact CG2-CG 4.42Å; I57-V81 HydrophobicContact CD1-CG1 4.08Å; I57-L83 HydrophobicContact CD1-CD2 4.12Å; I57-L83 HydrophobicContact CG1-CD2 3.58Å |
| 58 | K | 90.4 | Very high | 82.4 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 178.5 | -174.3 | -175.6 | 169.8 | -177.2 | 0 | 111.2 | G54 K55 E56 K61 E62 Y164 | G54-K58 WeakPolarHBondContact O-CB 3.41Å; G54-K58 PolarHBondContact O-N 2.99Å; K55-K58 PolarHBondContact O-N 3.12Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 2.97Å; K58-K61 PolarHBondContact O-N 3.17Å; K58-E62 WeakPolarHBondContact CE-OE1 3.44Å; K58-E62 IonicContact NZ-OE1 3.64Å; K58-E62 PolarHBondContact O-N 3.41Å; K58-Y164 HydrophobicContact CD-CE2 4.19Å; K58-Y164 WeakPolarHBondContact CE-OH 3.5Å |
| 59 | I | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | -180 | -74.8 | 169 | 0 | 0 | 0 | 110.5 | K55 E56 K61 E62 L63 I127 F159 A162 Y164 | K55-I59 WeakPolarHBondContact O-CB 3.41Å; K55-I59 VanDerWaalsContact O-CG1 3.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.5Å; E56-I59 PolarHBondContact O-N 3.2Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 2.97Å; I59-E62 PolarHBondContact O-N 2.88Å; I59-E62 VanDerWaalsContact O-N 3.14Å; I59-L63 HydrophobicContact CG2-CD1 3.56Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 WeakPolarHBondContact O-CG 3.3Å; I59-L63 PolarHBondContact O-N 3.17Å; I59-I127 HydrophobicContact CG1-CD1 4.45Å; I59-I127 HydrophobicContact CG2-CD1 4.28Å; I59-I127 HydrophobicContact CG2-CG2 4.16Å; I59-F159 HydrophobicContact CG2-CB 4.33Å; I59-F159 HydrophobicContact CG2-CD1 3.7Å; I59-F159 HydrophobicContact CG2-CE1 4.46Å; I59-F159 HydrophobicContact CG2-CG 4.32Å; I59-A162 HydrophobicContact CD1-CB 3.86Å; I59-A162 HydrophobicContact CG2-CB 4.26Å; I59-Y164 HydrophobicContact CD1-CD2 4.46Å; I59-Y164 HydrophobicContact CD1-CE2 4.15Å; I59-Y164 HydrophobicContact CG1-CD2 4.4Å; I59-Y164 HydrophobicContact CG1-CE2 3.65Å |
| 60 | L | 90.9 | Very high | 86.5 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -28.9 | 179 | -71.9 | 176.1 | 0 | 0 | 0 | 113.9 | E56 E62 L71 F159 | E56-L60 HydrophobicContact CG-CD1 3.76Å; E56-L60 HydrophobicContact CG-CG 4.32Å; E56-L60 WeakPolarHBondContact O-CB 3.47Å; E56-L60 WeakPolarHBondContact O-CG 3.08Å; E56-L60 PolarHBondContact O-N 3.45Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-L71 HydrophobicContact CB-CB 3.92Å; L60-L71 HydrophobicContact CB-CD2 3.95Å; L60-L71 HydrophobicContact CB-CG 4.5Å; L60-F159 HydrophobicContact CD2-CB 4.02Å; L60-F159 HydrophobicContact CD2-CD2 3.56Å; L60-F159 HydrophobicContact CD2-CE2 4.23Å; L60-F159 HydrophobicContact CD2-CG 3.85Å; L60-F159 HydrophobicContact CG-CB 4.18Å; L60-F159 HydrophobicContact CG-CG 4.5Å |
| 61 | K | 91.5 | Very high | 88.1 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 171.7 | -79 | 171 | -179.9 | 171.2 | 0 | 112.6 | I57 K58 I59 L71 F74 | I57-K61 HydrophobicContact CG2-CD 4Å; I57-K61 WeakPolarHBondContact O-CB 3.49Å; I57-K61 WeakPolarHBondContact O-CD 3.42Å; I57-K61 VanDerWaalsContact O-CG 3.23Å; I57-K61 WeakPolarHBondContact O-CG 3.42Å; I57-K61 PolarHBondContact O-N 3.42Å; I57-K61 VanDerWaalsContact O-N 3.08Å; K58-K61 PolarHBondContact O-N 3.17Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 2.97Å; K61-L71 HydrophobicContact CG-CD2 4.04Å; K61-F74 VanDerWaalsContact CE-CE1 3.44Å |
| 62 | E | 91.5 | Very high | 89.7 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -83.7 | -28.2 | 179.6 | -71.4 | 174.3 | -164.4 | 0 | 0 | 112.8 | K58 I59 L60 K64 K125 Y164 | K58-E62 WeakPolarHBondContact CE-OE1 3.44Å; K58-E62 IonicContact NZ-OE1 3.64Å; K58-E62 PolarHBondContact O-N 3.41Å; I59-E62 PolarHBondContact O-N 2.88Å; I59-E62 VanDerWaalsContact O-N 3.14Å; L60-E62 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.42Å; E62-K125 PolarHBondContact O-NZ 3.38Å; E62-Y164 PolarHBondContact OE1-OH 3.44Å; E62-Y164 WeakPolarHBondContact OE2-CE1 3.41Å; E62-Y164 PolarHBondContact OE2-OH 2.95Å |
| 63 | L | 93.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | trans | -85.1 | 109.1 | 179.7 | -70.2 | 175.9 | 0 | 0 | 0 | 111.8 | I59 I68 V121 L122 K125 I127 F159 | I59-L63 HydrophobicContact CG2-CD1 3.56Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 WeakPolarHBondContact O-CG 3.3Å; I59-L63 PolarHBondContact O-N 3.17Å; L63-I68 HydrophobicContact CB-CD1 4.3Å; L63-I68 HydrophobicContact CB-CG2 4.32Å; L63-I68 HydrophobicContact CD1-CD1 4.4Å; L63-I68 HydrophobicContact CD2-CD1 4.08Å; L63-V121 HydrophobicContact CD2-CG1 3.88Å; L63-L122 HydrophobicContact CD1-CD1 4.07Å; L63-L122 HydrophobicContact CD2-CD1 3.92Å; L63-K125 HydrophobicContact CD2-CD 4.24Å; L63-I127 HydrophobicContact CD2-CD1 4.15Å; L63-I127 HydrophobicContact CG-CD1 4.28Å; L63-F159 HydrophobicContact CD1-CD1 3.65Å; L63-F159 HydrophobicContact CD1-CE1 3.17Å; L63-F159 HydrophobicContact CD1-CZ 3.73Å | ||
| 64 | K | 92.9 | Very high | 92 | Very high | 179 Ų | 179 | 52.7 Ų | 52.7 | 78% | 0.778 | 26% | 0.262 | S | S | * | . | trans | -129.4 | 108.4 | 172.3 | -62.8 | -177.4 | -177.7 | -179.1 | 0 | 108.5 | E62 | E62-K64 PolarHBondContact O-N 3.42Š| ||
| 65 | H | 96.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | trans | -156 | 151.9 | -179.1 | -172.6 | -109.1 | 0 | 0 | 0 | 109 | N67 I68 A118 V121 | H65-N67 VanDerWaalsContact C-N 3.27Å; H65-N67 PolarHBondContact CE1-OD1 3.17Å; H65-N67 VanDerWaalsContact CE1-OD1 3.3Å; H65-N67 PolarHBondContact ND1-N 2.84Å; H65-N67 VanDerWaalsContact ND1-N 3.14Å; H65-N67 PolarHBondContact O-N 3.48Å; H65-I68 HydrophobicContact CB-CB 4.26Å; H65-I68 HydrophobicContact CB-CD1 3.87Å; H65-I68 HydrophobicContact CB-CG1 3.99Å; H65-I68 PolarHBondContact O-N 2.95Å; H65-A118 PolarHBondContact CE1-N 2.96Å; H65-V121 HydrophobicContact CB-CG2 4.2Å | ||
| 66 | E | 95.2 | Very high | 93.2 | Very high | 134 Ų | 134 | 54.9 Ų | 54.9 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -40.9 | 179.2 | -174.5 | 175.1 | 164.2 | 0 | 0 | 111.5 | I68 K155 | E66-I68 VanDerWaalsContact C-N 3.32Å; E66-I68 PolarHBondContact O-N 3.12Å; E66-K155 WeakPolarHBondContact O-CE 3.39Å; E66-K155 WeakPolarHBondContact O-CG 3.4Å; E66-K155 PolarHBondContact O-NZ 2.92Å |
| 67 | N | 97.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 24.4 | -177.5 | -51.1 | 113.9 | 0 | 0 | 0 | 114.5 | H65 Q114 A118 I154 K155 I156 | H65-N67 VanDerWaalsContact C-N 3.27Å; H65-N67 PolarHBondContact CE1-OD1 3.17Å; H65-N67 VanDerWaalsContact CE1-OD1 3.3Å; H65-N67 PolarHBondContact ND1-N 2.84Å; H65-N67 VanDerWaalsContact ND1-N 3.14Å; H65-N67 PolarHBondContact O-N 3.48Å; N67-Q114 HydrophobicContact CB-CB 4.39Å; N67-Q114 VanDerWaalsContact CB-O 3.31Å; N67-Q114 WeakPolarHBondContact CB-O 3.5Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.45Å; N67-Q114 PolarHBondContact ND2-OE1 3.39Å; N67-Q114 PolarHBondContact OD1-O 3.18Å; N67-A118 HydrophobicContact CB-CB 4.02Å; N67-A118 WeakPolarHBondContact O-CB 3.4Å; N67-I154 WeakPolarHBondContact CA-O 3.45Å; N67-I154 WeakPolarHBondContact CB-O 3.46Å; N67-I154 PolarHBondContact ND2-O 3.43Å; N67-K155 WeakPolarHBondContact O-CA 3.05Å; N67-I156 PolarHBondContact O-N 3.36Å |
| 68 | I | 97.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 139 | 170.8 | -60.8 | 175.8 | 0 | 0 | 0 | 107.7 | L63 H65 E66 A70 A118 L122 F159 | L63-I68 HydrophobicContact CB-CD1 4.3Å; L63-I68 HydrophobicContact CB-CG2 4.32Å; L63-I68 HydrophobicContact CD1-CD1 4.4Å; L63-I68 HydrophobicContact CD2-CD1 4.08Å; H65-I68 HydrophobicContact CB-CB 4.26Å; H65-I68 HydrophobicContact CB-CD1 3.87Å; H65-I68 HydrophobicContact CB-CG1 3.99Å; H65-I68 PolarHBondContact O-N 2.95Å; E66-I68 VanDerWaalsContact C-N 3.32Å; E66-I68 PolarHBondContact O-N 3.12Å; I68-A70 PolarHBondContact O-N 2.7Å; I68-A118 HydrophobicContact CD1-CB 4.27Å; I68-A118 HydrophobicContact CG1-CB 3.77Å; I68-L122 HydrophobicContact CD1-CD1 3.57Å; I68-F159 HydrophobicContact CG2-CE2 3.77Å; I68-F159 HydrophobicContact CG2-CZ 3.8Å |
| 69 | V | 96.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 118.2 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 109.9 | M85 E86 L138 K155 I156 A157 | V69-M85 HydrophobicContact CG1-CB 3.89Å; V69-E86 HydrophobicContact CG1-CB 4.28Å; V69-L138 HydrophobicContact CG2-CD1 4.03Å; V69-K155 HydrophobicContact CG2-CB 3.9Å; V69-I156 PolarHBondContact N-O 3.25Å; V69-A157 HydrophobicContact CB-CB 4.45Å; V69-A157 HydrophobicContact CG2-CB 3.73Å |
| 70 | A | 95.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 59.5 Ų | 59.5 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 133.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I68 L72 M85 E86 | I68-A70 PolarHBondContact O-N 2.7Å; A70-L72 HydrophobicContact CB-CD2 4.3Å; A70-M85 CarbonylContact O-C 3.59Å; A70-M85 VanDerWaalsContact O-CA 3.29Å; A70-M85 WeakPolarHBondContact O-CA 3.48Å; A70-E86 HydrophobicContact CB-CB 4.31Å; A70-E86 PolarHBondContact N-OE2 3.24Å; A70-E86 PolarHBondContact O-N 3.32Å |
| 71 | L | 95.8 | Very high | 92.5 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117.2 | 163.7 | -178.1 | 72.2 | 0 | 0 | 0 | 109 | L60 K61 D73 L83 M85 | L60-L71 HydrophobicContact CB-CB 3.92Å; L60-L71 HydrophobicContact CB-CD2 3.95Å; L60-L71 HydrophobicContact CB-CG 4.5Å; K61-L71 HydrophobicContact CG-CD2 4.04Å; L71-D73 WeakPolarHBondContact CD1-O 3.49Å; L71-L83 HydrophobicContact CD1-CB 3.92Å; L71-L83 HydrophobicContact CD1-CD2 4.15Å; L71-M85 HydrophobicContact CD1-CG 4.09Å |
| 72 | L | 95.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -42.1 | -175.9 | -55.7 | 177.6 | 0 | 0 | 0 | 111.7 | F7 W34 V36 A70 V84 | F7-L72 HydrophobicContact CZ-CB 4.41Å; W34-L72 HydrophobicContact CZ2-CD1 4.32Å; V36-L72 HydrophobicContact CB-CD1 4.46Å; V36-L72 HydrophobicContact CG1-CD1 3.56Å; A70-L72 HydrophobicContact CB-CD2 4.3Å; L72-V84 HydrophobicContact CB-CG1 4.43Å; L72-V84 WeakPolarHBondContact CB-O 3.46Å; L72-V84 PolarHBondContact N-O 2.89Å |
| 73 | D | 94.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 53 Ų | 53 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 165.2 | 179.5 | -161.5 | 0.8 | 0 | 0 | 0 | 109.6 | F7 L71 V84 | F7-D73 HydrophobicContact CD2-CB 4.27Å; F7-D73 HydrophobicContact CE2-CB 3.73Å; L71-D73 WeakPolarHBondContact CD1-O 3.49Å; D73-V84 HydrophobicContact CB-CB 4.07Å; D73-V84 HydrophobicContact CB-CG2 4.26Å; D73-V84 PolarHBondContact N-O 2.9Å; D73-V84 PolarHBondContact O-N 3.46Å |
| 74 | F | 94.2 | Very high | 92.9 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 144.4 | 174.1 | 79 | -65.4 | 0 | 0 | 0 | 111 | I57 K61 Y82 L83 | I57-F74 HydrophobicContact CD1-CD2 4.03Å; I57-F74 HydrophobicContact CG2-CD2 4.1Å; I57-F74 HydrophobicContact CG2-CE2 4.25Å; I57-F74 HydrophobicContact CG2-CG 4.42Å; K61-F74 VanDerWaalsContact CE-CE1 3.44Å; F74-Y82 CarbonylContact C-O 3.53Å; F74-Y82 VanDerWaalsContact CA-O 3.28Å; F74-Y82 WeakPolarHBondContact CA-O 3.2Å; F74-L83 HydrophobicContact CB-CD2 4.07Å |
| 75 | Q | 92.4 | Very high | 93 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.1 | 176.7 | -167.6 | 174.6 | 38.5 | 0 | 0 | 110.9 | V4 Y82 | V4-Q75 HydrophobicContact CG1-CB 3.7Å; Q75-Y82 PolarHBondContact N-O 2.64Å; Q75-Y82 PolarHBondContact O-N 3.44Å |
| 76 | E | 89.4 | Confident | 93 | Very high | 103 Ų | 103 | 45.1 Ų | 45.1 | 48% | 0.481 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.5 | 173.8 | -176.7 | 164.6 | -176.8 | 0 | 0 | 109.7 | K43 V81 | K43-E76 WeakPolarHBondContact CE-OE1 3.28Å; K43-E76 VanDerWaalsContact NZ-CG 3.27Å; K43-E76 IonicContact NZ-OE1 2.7Å; K43-E76 PolarHBondContact NZ-OE1 2.97Å; E76-V81 HydrophobicContact CG-CG2 4.24Å |
| 77 | T | 88.1 | Confident | 93.1 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | trans | -120 | 176.4 | 176.3 | 76.8 | 0 | 0 | 0 | 0 | 110.2 | K43 S79 S80 Y82 | K43-T77 VanDerWaalsContact CE-O 3.3Å; K43-T77 WeakPolarHBondContact CE-O 3.43Å; K43-T77 PolarHBondContact NZ-O 3.48Å; T77-S79 PolarHBondContact O-N 2.99Å; T77-S79 PolarHBondContact OG1-N 3.35Å; T77-S80 PolarHBondContact N-O 2.81Å; T77-S80 PolarHBondContact OG1-N 2.66Å; T77-S80 PolarHBondContact OG1-O 2.71Å; T77-Y82 HydrophobicContact CG2-CD2 4.24Å; T77-Y82 HydrophobicContact CG2-CE2 3.89Å | ||
| 78 | A | 84.9 | Confident | 93 | Very high | 106 Ų | 106 | 41 Ų | 41 | 88% | 0.876 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -60.3 | -33 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | K43 | K43-A78 WeakPolarHBondContact CD-O 3.44Š|
| 79 | S | 83.6 | Confident | 92.8 | Very high | 54 Ų | 54 | 44.1 Ų | 44.1 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -108.1 | -17.7 | -175.9 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | N42 K43 T77 | N42-S79 PolarHBondContact OD1-O 3.28Å; K43-S79 VanDerWaalsContact CB-O 3.29Å; K43-S79 WeakPolarHBondContact CB-O 3.49Å; K43-S79 PolarHBondContact N-O 3.46Å; T77-S79 PolarHBondContact O-N 2.99Å; T77-S79 PolarHBondContact OG1-N 3.35Å |
| 80 | S | 87.1 | Confident | 92.5 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.7 | -165 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | I41 T77 | I41-S80 CarbonylContact O-C 3.45Å; I41-S80 VanDerWaalsContact O-CA 3.26Å; I41-S80 WeakPolarHBondContact O-CA 3.41Å; T77-S80 PolarHBondContact N-O 2.81Å; T77-S80 PolarHBondContact OG1-N 2.66Å; T77-S80 PolarHBondContact OG1-O 2.71Å |
| 81 | V | 89.3 | Confident | 92.5 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.2 | 164.1 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | I41 L53 I57 E76 L83 | I41-V81 HydrophobicContact CB-CB 4.4Å; I41-V81 PolarHBondContact N-O 3.01Å; I41-V81 PolarHBondContact O-N 3.19Å; L53-V81 HydrophobicContact CD1-CB 3.98Å; L53-V81 HydrophobicContact CD1-CG1 4.41Å; L53-V81 HydrophobicContact CD1-CG2 3.77Å; I57-V81 HydrophobicContact CD1-CG1 4.08Å; E76-V81 HydrophobicContact CG-CG2 4.24Å; V81-L83 HydrophobicContact CG1-CD2 4.26Å |
| 82 | Y | 93 | Very high | 92.4 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 12% | 0.122 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.8 | 176.8 | -60.8 | -93.3 | 0 | 0 | 0 | 108.6 | V4 F9 V38 C40 F74 Q75 T77 | V4-Y82 HydrophobicContact CG2-CD1 3.86Å; V4-Y82 HydrophobicContact CG2-CG 3.95Å; F9-Y82 HydrophobicContact CE1-CD1 4.32Å; F9-Y82 HydrophobicContact CE1-CE1 4.17Å; F9-Y82 HydrophobicContact CZ-CD1 4.44Å; F9-Y82 AromaticContact CZ-CE1 3.99Å; F9-Y82 HydrophobicContact CZ-CE1 3.99Å; V38-Y82 HydrophobicContact CG1-CD1 4.18Å; C40-Y82 HydrophobicContact CB-CD1 4.31Å; C40-Y82 HydrophobicContact CB-CE1 4.3Å; C40-Y82 WeakPolarHBondContact SG-CD1 3.37Å; C40-Y82 VanDerWaalsContact SG-CE1 3.55Å; F74-Y82 CarbonylContact C-O 3.53Å; F74-Y82 VanDerWaalsContact CA-O 3.28Å; F74-Y82 WeakPolarHBondContact CA-O 3.2Å; Q75-Y82 PolarHBondContact N-O 2.64Å; Q75-Y82 PolarHBondContact O-N 3.44Å; T77-Y82 HydrophobicContact CG2-CD2 4.24Å; T77-Y82 HydrophobicContact CG2-CE2 3.89Å |
| 83 | L | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.8 | 171.3 | -53.8 | 175.3 | 0 | 0 | 0 | 107.9 | V38 K39 I41 E56 I57 L71 F74 V81 M85 | V38-L83 CarbonylContact C-O 3.56Å; V38-L83 WeakPolarHBondContact CA-O 3.42Å; K39-L83 HydrophobicContact CB-CB 4.26Å; K39-L83 HydrophobicContact CD-CD1 4.13Å; K39-L83 HydrophobicContact CG-CD1 4.46Å; K39-L83 PolarHBondContact N-O 3.4Å; K39-L83 PolarHBondContact O-N 3.18Å; I41-L83 HydrophobicContact CD1-CD1 3.99Å; I41-L83 HydrophobicContact CD1-CG 4.34Å; E56-L83 HydrophobicContact CG-CD1 4.46Å; I57-L83 HydrophobicContact CD1-CD2 4.12Å; I57-L83 HydrophobicContact CG1-CD2 3.58Å; L71-L83 HydrophobicContact CD1-CB 3.92Å; L71-L83 HydrophobicContact CD1-CD2 4.15Å; F74-L83 HydrophobicContact CB-CD2 4.07Å; V81-L83 HydrophobicContact CG1-CD2 4.26Å; L83-M85 HydrophobicContact CB-CG 4.17Å; L83-M85 HydrophobicContact CB-SD 4.27Å |
| 84 | V | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 116.4 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 108 | V4 F7 V36 L72 D73 | V4-V84 HydrophobicContact CB-CG2 4.06Å; V4-V84 HydrophobicContact CG1-CG2 3.57Å; F7-V84 HydrophobicContact CB-CG1 4.24Å; F7-V84 HydrophobicContact CB-CG2 4.48Å; F7-V84 HydrophobicContact CD1-CG1 3.87Å; F7-V84 HydrophobicContact CD2-CB 4.3Å; F7-V84 HydrophobicContact CD2-CG1 3.76Å; F7-V84 HydrophobicContact CD2-CG2 4.08Å; F7-V84 HydrophobicContact CE1-CG1 4.12Å; F7-V84 HydrophobicContact CE2-CG1 4.03Å; F7-V84 HydrophobicContact CG-CG1 3.68Å; F7-V84 HydrophobicContact CG-CG2 4.41Å; F7-V84 HydrophobicContact CZ-CG1 4.19Å; V36-V84 HydrophobicContact CB-CG1 3.88Å; V36-V84 HydrophobicContact CG1-CG1 4.11Å; V36-V84 HydrophobicContact CG2-CG1 3.86Å; L72-V84 HydrophobicContact CB-CG1 4.43Å; L72-V84 WeakPolarHBondContact CB-O 3.46Å; L72-V84 PolarHBondContact N-O 2.89Å; D73-V84 HydrophobicContact CB-CB 4.07Å; D73-V84 HydrophobicContact CB-CG2 4.26Å; D73-V84 PolarHBondContact N-O 2.9Å; D73-V84 PolarHBondContact O-N 3.46Å |
| 85 | M | 96.7 | Very high | 92.4 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 162 | -170.4 | -56.8 | -178.6 | -55.4 | 0 | 0 | 110.8 | V36 A37 K39 V69 A70 L71 L83 Y87 | V36-M85 WeakPolarHBondContact CA-O 3.27Å; V36-M85 WeakPolarHBondContact CB-O 3.38Å; A37-M85 HydrophobicContact CB-CB 4.45Å; A37-M85 HydrophobicContact CB-CE 4.48Å; A37-M85 PolarHBondContact N-O 2.75Å; A37-M85 PolarHBondContact O-N 3.09Å; K39-M85 HydrophobicContact CB-CE 3.56Å; K39-M85 HydrophobicContact CB-SD 4.48Å; K39-M85 HydrophobicContact CD-CE 4.2Å; K39-M85 HydrophobicContact CG-CE 4.49Å; V69-M85 HydrophobicContact CG1-CB 3.89Å; A70-M85 CarbonylContact O-C 3.59Å; A70-M85 VanDerWaalsContact O-CA 3.29Å; A70-M85 WeakPolarHBondContact O-CA 3.48Å; L71-M85 HydrophobicContact CD1-CG 4.09Å; L83-M85 HydrophobicContact CB-CG 4.17Å; L83-M85 HydrophobicContact CB-SD 4.27Å; M85-Y87 PolarHBondContact O-N 3.19Å |
| 86 | E | 95.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 133.1 | 169.8 | -176.6 | -179.8 | -166.2 | 0 | 0 | 111.6 | V69 A70 K155 | V69-E86 HydrophobicContact CG1-CB 4.28Å; A70-E86 HydrophobicContact CB-CB 4.31Å; A70-E86 PolarHBondContact N-OE2 3.24Å; A70-E86 PolarHBondContact O-N 3.32Å; E86-K155 VanDerWaalsContact CD-CE 3.46Å; E86-K155 WeakPolarHBondContact OE1-CE 3.4Å; E86-K155 IonicContact OE1-NZ 3.23Å; E86-K155 PolarHBondContact OE1-NZ 3.04Å; E86-K155 WeakPolarHBondContact OE2-CE 3.32Å; E86-K155 IonicContact OE2-NZ 2.96Å; E86-K155 PolarHBondContact OE2-NZ 3.39Å |
| 87 | Y | 96.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | trans | -87 | 119.7 | 175.4 | 178.1 | -113.2 | 0 | 0 | 0 | 111.4 | I15 K25 E35 M85 N89 | I15-Y87 HydrophobicContact CD1-CD2 3.95Å; I15-Y87 HydrophobicContact CD1-CE2 3.82Å; K25-Y87 HydrophobicContact CD-CE1 4.15Å; K25-Y87 HydrophobicContact CD-CE2 3.95Å; K25-Y87 VanDerWaalsContact CE-CZ 3.46Å; K25-Y87 HydrophobicContact CG-CD2 4.35Å; K25-Y87 HydrophobicContact CG-CE2 4.12Å; K25-Y87 PolarHBondContact NZ-OH 3.22Å; E35-Y87 HydrophobicContact CB-CD1 3.73Å; E35-Y87 HydrophobicContact CB-CG 4.18Å; E35-Y87 VanDerWaalsContact OE2-CD1 3.27Å; E35-Y87 WeakPolarHBondContact OE2-CD1 3.44Å; E35-Y87 WeakPolarHBondContact OE2-CE1 3.18Å; M85-Y87 PolarHBondContact O-N 3.19Å; Y87-N89 HydrophobicContact CD1-CB 4.1Å; Y87-N89 HydrophobicContact CE1-CB 3.69Å; Y87-N89 PolarHBondContact O-N 3.18Å | ||
| 88 | C | 95.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -89 | 102.3 | 173.1 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | G90 L138 L139 | C88-G90 PolarHBondContact O-N 3.49Å; C88-L138 HydrophobicContact CB-CB 3.62Å; C88-L138 HydrophobicContact CB-CD1 3.91Å; C88-L138 HydrophobicContact CB-CG 4.4Å; C88-L139 CarbonylContact C-O 3.59Å; C88-L139 WeakPolarHBondContact CB-O 3.48Å | ||
| 89 | N | 92.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.6 | -172.7 | 66.8 | 6.9 | 0 | 0 | 0 | 115.2 | Y87 Y141 | Y87-N89 HydrophobicContact CD1-CB 4.1Å; Y87-N89 HydrophobicContact CE1-CB 3.69Å; Y87-N89 PolarHBondContact O-N 3.18Å; N89-Y141 PolarHBondContact ND2-O 3.32Å; N89-Y141 PolarHBondContact OD1-N 3.18Å |
| 90 | G | 91.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 1.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C88 L139 | C88-G90 PolarHBondContact O-N 3.49Å; G90-L139 WeakPolarHBondContact CA-O 3.3Å; G90-L139 PolarHBondContact N-O 3.26Å |
| 91 | G | 93.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | trans | 78.6 | -155.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L138 L139 | G91-L138 WeakPolarHBondContact O-CA 3.48Å; G91-L139 PolarHBondContact O-N 3.26Å | ||
| 92 | D | 95.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -110 | 168.8 | 177.6 | 77.5 | 38.1 | 0 | 0 | 0 | 113.2 | A94 D95 Y96 L138 | D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 3.36Å; D92-A94 VanDerWaalsContact OD1-CA 3.26Å; D92-A94 WeakPolarHBondContact OD1-CA 3.27Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 3.25Å; D92-D95 PolarHBondContact OD1-N 3.02Å; D92-Y96 WeakPolarHBondContact O-CB 3.45Å; D92-Y96 PolarHBondContact O-N 2.87Å; D92-L138 HydrophobicContact CB-CD2 3.62Å |
| 93 | L | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.1 | -19 | -178.2 | -177.4 | 60.2 | 0 | 0 | 0 | 112.8 | Y96 L97 L103 F111 P134 I137 L139 I203 | L93-Y96 HydrophobicContact CD1-CD1 4.08Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 PolarHBondContact O-N 3.2Å; L93-L103 HydrophobicContact CD1-CD1 4.26Å; L93-F111 HydrophobicContact CD1-CD2 4Å; L93-F111 HydrophobicContact CD1-CE2 3.82Å; L93-P134 HydrophobicContact CB-CB 4.06Å; L93-P134 WeakPolarHBondContact CB-O 3.3Å; L93-P134 HydrophobicContact CG-CB 4.24Å; L93-P134 PolarHBondContact N-O 3.48Å; L93-P134 VanDerWaalsContact N-O 3.13Å; L93-I137 HydrophobicContact CB-CB 3.99Å; L93-I137 HydrophobicContact CB-CG2 4.08Å; L93-I137 WeakPolarHBondContact CB-O 3.43Å; L93-I137 HydrophobicContact CD2-CB 4.09Å; L93-I137 HydrophobicContact CD2-CG2 3.77Å; L93-I137 PolarHBondContact N-O 3.07Å; L93-L139 HydrophobicContact CB-CD1 4.14Å; L93-I203 HydrophobicContact CD2-CG2 3.82Å |
| 94 | A | 94.3 | Very high | 94 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.3 | -50.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D92 L97 H98 P134 Q135 | D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 3.36Å; D92-A94 VanDerWaalsContact OD1-CA 3.26Å; D92-A94 WeakPolarHBondContact OD1-CA 3.27Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 3.25Å; A94-L97 PolarHBondContact O-N 3.18Å; A94-H98 WeakPolarHBondContact O-CB 3.31Å; A94-H98 PolarHBondContact O-N 3.29Å; A94-P134 HydrophobicContact CB-CB 3.91Å; A94-Q135 HydrophobicContact CB-CG 3.94Å; A94-Q135 VanDerWaalsContact CB-NE2 3.34Å |
| 95 | D | 92.4 | Very high | 94 | Very high | 114 Ų | 114 | 50.9 Ų | 50.9 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 176.1 | -86.4 | -3.2 | 0 | 0 | 0 | 111.3 | D92 L97 H98 S99 | D92-D95 PolarHBondContact OD1-N 3.02Å; D95-L97 PolarHBondContact O-N 3.45Å; D95-H98 PolarHBondContact O-N 3.43Å; D95-S99 PolarHBondContact O-N 3.45Å |
| 96 | Y | 93.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 54 Ų | 54 | 10% | 0.102 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 174.4 | -175.4 | -104 | 0 | 0 | 0 | 111.1 | D92 L93 S99 K100 L103 F111 L139 | D92-Y96 WeakPolarHBondContact O-CB 3.45Å; D92-Y96 PolarHBondContact O-N 2.87Å; L93-Y96 HydrophobicContact CD1-CD1 4.08Å; Y96-S99 PolarHBondContact O-N 3.29Å; Y96-S99 PolarHBondContact O-OG 3.12Å; Y96-K100 HydrophobicContact CD1-CG 4.48Å; Y96-K100 HydrophobicContact CE1-CG 4.18Å; Y96-K100 HydrophobicContact CE2-CG 4.47Å; Y96-K100 WeakPolarHBondContact O-CG 3.28Å; Y96-K100 PolarHBondContact O-N 3.23Å; Y96-L103 HydrophobicContact CD1-CD1 4.42Å; Y96-L103 HydrophobicContact CD1-CD2 4.1Å; Y96-L103 HydrophobicContact CE1-CD1 4.2Å; Y96-L103 HydrophobicContact CE1-CD2 3.57Å; Y96-F111 HydrophobicContact CD1-CE2 4.15Å; Y96-F111 HydrophobicContact CD1-CZ 4.47Å; Y96-F111 AromaticContact CE1-CE2 3.87Å; Y96-F111 HydrophobicContact CE1-CE2 3.87Å; Y96-F111 AromaticContact CE1-CZ 3.87Å; Y96-F111 HydrophobicContact CE1-CZ 3.87Å; Y96-L139 HydrophobicContact CD1-CD2 4.09Å; Y96-L139 HydrophobicContact CD2-CD2 3.49Å; Y96-L139 VanDerWaalsContact CD2-CD2 3.49Å; Y96-L139 HydrophobicContact CE2-CD2 4.01Å; Y96-L139 HydrophobicContact CG-CD2 3.53Å |
| 97 | L | 93.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.2 | -176.6 | 64.2 | 0 | 0 | 0 | 112.2 | L93 A94 D95 S99 K100 G101 L103 Q206 | L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 PolarHBondContact O-N 3.2Å; A94-L97 PolarHBondContact O-N 3.18Å; D95-L97 PolarHBondContact O-N 3.45Å; L97-S99 PolarHBondContact O-N 3.01Å; L97-K100 CarbonylContact O-C 3.58Å; L97-K100 PolarHBondContact O-N 3.12Å; L97-G101 WeakPolarHBondContact CD1-O 3.37Å; L97-G101 PolarHBondContact O-N 2.99Å; L97-L103 HydrophobicContact CD1-CD2 4.48Å; L97-L103 HydrophobicContact CD1-CG 4.09Å; L97-Q206 HydrophobicContact CD2-CB 4.4Å; L97-Q206 HydrophobicContact CD2-CG 3.69Å; L97-Q206 WeakPolarHBondContact CD2-O 3.2Å |
| 98 | H | 91.1 | Very high | 93.8 | Very high | 169 Ų | 169 | 50 Ų | 50 | 78% | 0.782 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.7 | -37.3 | 175.4 | -165.6 | 87.4 | 0 | 0 | 0 | 111.5 | A94 D95 K100 | A94-H98 WeakPolarHBondContact O-CB 3.31Å; A94-H98 PolarHBondContact O-N 3.29Å; D95-H98 PolarHBondContact O-N 3.43Å; H98-K100 VanDerWaalsContact C-N 3.32Å; H98-K100 PolarHBondContact O-N 3.31Å |
| 99 | S | 91.3 | Very high | 93.9 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -73.1 | -16.8 | 175 | 83.3 | 0 | 0 | 0 | 0 | 115.1 | D95 Y96 L97 | D95-S99 PolarHBondContact O-N 3.45Å; Y96-S99 PolarHBondContact O-N 3.29Å; Y96-S99 PolarHBondContact O-OG 3.12Å; L97-S99 PolarHBondContact O-N 3.01Å |
| 100 | K | 90.2 | Very high | 93.9 | Very high | 117 Ų | 117 | 50 Ų | 50 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -111.1 | -22.1 | -176.2 | -63.9 | -57.7 | -179.1 | -171.4 | 0 | 114.4 | Y96 L97 H98 T102 L103 | Y96-K100 HydrophobicContact CD1-CG 4.48Å; Y96-K100 HydrophobicContact CE1-CG 4.18Å; Y96-K100 HydrophobicContact CE2-CG 4.47Å; Y96-K100 WeakPolarHBondContact O-CG 3.28Å; Y96-K100 PolarHBondContact O-N 3.23Å; L97-K100 CarbonylContact O-C 3.58Å; L97-K100 PolarHBondContact O-N 3.12Å; H98-K100 VanDerWaalsContact C-N 3.32Å; H98-K100 PolarHBondContact O-N 3.31Å; K100-T102 PolarHBondContact O-N 3.26Å; K100-L103 HydrophobicContact CB-CD2 3.92Å; K100-L103 HydrophobicContact CG-CD2 4.01Å |
| 101 | G | 92.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 75.3 | -63.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L97 G210 | L97-G101 WeakPolarHBondContact CD1-O 3.37Å; L97-G101 PolarHBondContact O-N 2.99Å; G101-G210 VanDerWaalsContact O-CA 3.24Å; G101-G210 WeakPolarHBondContact O-CA 3.5Å |
| 102 | T | 94.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -140.8 | 163.9 | 176 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | K100 C207 L208 | K100-T102 PolarHBondContact O-N 3.26Å; T102-C207 CarbonylContact C-O 3.57Å; T102-C207 WeakPolarHBondContact CA-O 3.37Å; T102-L208 WeakPolarHBondContact CG2-O 3.13Å |
| 103 | L | 95.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | trans | -113.2 | 147.3 | 177.2 | -55.1 | -174.2 | 0 | 0 | 0 | 110.8 | L93 Y96 L97 K100 T107 I108 F111 C207 | L93-L103 HydrophobicContact CD1-CD1 4.26Å; Y96-L103 HydrophobicContact CD1-CD1 4.42Å; Y96-L103 HydrophobicContact CD1-CD2 4.1Å; Y96-L103 HydrophobicContact CE1-CD1 4.2Å; Y96-L103 HydrophobicContact CE1-CD2 3.57Å; L97-L103 HydrophobicContact CD1-CD2 4.48Å; L97-L103 HydrophobicContact CD1-CG 4.09Å; K100-L103 HydrophobicContact CB-CD2 3.92Å; K100-L103 HydrophobicContact CG-CD2 4.01Å; L103-T107 HydrophobicContact CB-CG2 4.39Å; L103-T107 HydrophobicContact CD1-CG2 4.26Å; L103-I108 HydrophobicContact CB-CD1 4.32Å; L103-I108 HydrophobicContact CB-CG1 3.89Å; L103-F111 HydrophobicContact CD1-CD2 4.06Å; L103-F111 HydrophobicContact CD1-CE2 3.82Å; L103-C207 HydrophobicContact CB-CB 4.42Å; L103-C207 HydrophobicContact CD1-CB 4.02Å; L103-C207 HydrophobicContact CG-CB 4.31Å; L103-C207 PolarHBondContact N-O 3.42Å | ||
| 104 | S | 95.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -69.2 | 152.8 | 173.5 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | D106 T107 I108 | S104-D106 PolarHBondContact O-N 3.22Å; S104-T107 WeakPolarHBondContact O-CA 3.42Å; S104-T107 WeakPolarHBondContact O-CB 3.49Å; S104-T107 PolarHBondContact O-N 3.32Å; S104-T107 PolarHBondContact OG-N 2.98Å; S104-T107 PolarHBondContact OG-OG1 2.92Å; S104-I108 WeakPolarHBondContact O-CG1 3.41Å; S104-I108 PolarHBondContact O-N 2.97Å | ||
| 105 | E | 96.2 | Very high | 94.6 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.7 | -34.1 | 178.8 | -64.4 | -156.9 | -168.4 | 0 | 0 | 112.9 | I108 R109 T240 S241 L244 F270 | E105-I108 PolarHBondContact O-N 2.68Å; E105-R109 WeakPolarHBondContact O-CB 3.32Å; E105-R109 PolarHBondContact O-N 3.44Å; E105-T240 WeakPolarHBondContact OE1-CA 3.34Å; E105-S241 PolarHBondContact OE1-N 2.88Å; E105-S241 WeakPolarHBondContact OE2-CB 3.43Å; E105-S241 PolarHBondContact OE2-OG 3.49Å; E105-L244 HydrophobicContact CB-CD2 4.33Å; E105-L244 HydrophobicContact CG-CD2 3.6Å; E105-F270 HydrophobicContact CB-CE2 4.27Å; E105-F270 HydrophobicContact CB-CZ 4.42Å; E105-F270 WeakPolarHBondContact O-CZ 3.37Å |
| 106 | D | 94.3 | Very high | 94.8 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 175.5 | -59.4 | -47.8 | 0 | 0 | 0 | 112.5 | S104 R109 V110 | S104-D106 PolarHBondContact O-N 3.22Å; D106-R109 PolarHBondContact O-N 2.86Å; D106-R109 IonicContact OD1-CZ 2.8Å; D106-R109 IonicContact OD1-NH1 3.5Å; D106-R109 PolarHBondContact OD1-NH1 2.9Å; D106-R109 IonicContact OD1-NH2 3.69Å; D106-V110 WeakPolarHBondContact O-CG2 3.37Å; D106-V110 PolarHBondContact O-N 2.95Å; D106-V110 VanDerWaalsContact O-N 3.08Å |
| 107 | T | 94 | Very high | 95 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | 173 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | L103 S104 R109 V110 F111 | L103-T107 HydrophobicContact CB-CG2 4.39Å; L103-T107 HydrophobicContact CD1-CG2 4.26Å; S104-T107 WeakPolarHBondContact O-CA 3.42Å; S104-T107 WeakPolarHBondContact O-CB 3.49Å; S104-T107 PolarHBondContact O-N 3.32Å; S104-T107 PolarHBondContact OG-N 2.98Å; S104-T107 PolarHBondContact OG-OG1 2.92Å; T107-R109 VanDerWaalsContact C-N 3.33Å; T107-R109 PolarHBondContact O-N 3.3Å; T107-V110 PolarHBondContact O-N 3.42Å; T107-F111 HydrophobicContact CG2-CD1 4.26Å; T107-F111 HydrophobicContact CG2-CD2 4.46Å; T107-F111 HydrophobicContact CG2-CE1 3.84Å; T107-F111 HydrophobicContact CG2-CE2 4.08Å; T107-F111 HydrophobicContact CG2-CZ 3.75Å; T107-F111 WeakPolarHBondContact O-CD1 3.23Å; T107-F111 WeakPolarHBondContact O-CG 3.37Å; T107-F111 PolarHBondContact O-N 3.37Å |
| 108 | I | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.9 | -66.5 | 172.5 | 0 | 0 | 0 | 110.3 | L103 S104 E105 F111 L112 V204 C207 L208 L244 F270 | L103-I108 HydrophobicContact CB-CD1 4.32Å; L103-I108 HydrophobicContact CB-CG1 3.89Å; S104-I108 WeakPolarHBondContact O-CG1 3.41Å; S104-I108 PolarHBondContact O-N 2.97Å; E105-I108 PolarHBondContact O-N 2.68Å; I108-F111 PolarHBondContact O-N 3.48Å; I108-L112 WeakPolarHBondContact O-CB 3.37Å; I108-L112 PolarHBondContact O-N 2.8Å; I108-V204 HydrophobicContact CG2-CG1 3.84Å; I108-C207 HydrophobicContact CD1-CB 3.99Å; I108-C207 HydrophobicContact CG1-CB 3.92Å; I108-L208 HydrophobicContact CD1-CB 4.03Å; I108-L208 HydrophobicContact CD1-CD1 4.41Å; I108-L244 HydrophobicContact CD1-CD2 4.45Å; I108-L244 HydrophobicContact CG2-CD1 4.44Å; I108-F270 HydrophobicContact CG2-CE1 4.11Å; I108-F270 HydrophobicContact CG2-CZ 4.17Å |
| 109 | R | 96.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -51.2 | 175 | -173.6 | -178.6 | -54.4 | 107.9 | 14.7 | 111.7 | E105 D106 T107 F111 L112 Q113 F270 | E105-R109 WeakPolarHBondContact O-CB 3.32Å; E105-R109 PolarHBondContact O-N 3.44Å; D106-R109 PolarHBondContact O-N 2.86Å; D106-R109 IonicContact OD1-CZ 2.8Å; D106-R109 IonicContact OD1-NH1 3.5Å; D106-R109 PolarHBondContact OD1-NH1 2.9Å; D106-R109 IonicContact OD1-NH2 3.69Å; T107-R109 VanDerWaalsContact C-N 3.33Å; T107-R109 PolarHBondContact O-N 3.3Å; R109-F111 VanDerWaalsContact C-N 3.32Å; R109-F111 PolarHBondContact O-N 3.34Å; R109-L112 PolarHBondContact O-N 3.07Å; R109-Q113 HydrophobicContact CG-CG 4.34Å; R109-Q113 WeakPolarHBondContact O-CB 3.36Å; R109-Q113 VanDerWaalsContact O-CG 3.25Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.45Å; R109-F270 HydrophobicContact CB-CE1 3.95Å; R109-F270 HydrophobicContact CB-CZ 3.95Å; R109-F270 VanDerWaalsContact CD-O 3.25Å; R109-F270 WeakPolarHBondContact CD-O 3.37Å; R109-F270 HydrophobicContact CG-CE1 4.46Å; R109-F270 WeakPolarHBondContact CG-O 3.34Å; R109-F270 PolarHBondContact NE-O 3.35Å |
| 110 | V | 94.6 | Very high | 95.7 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -35.9 | -179.1 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | D106 T107 Q114 | D106-V110 WeakPolarHBondContact O-CG2 3.37Å; D106-V110 PolarHBondContact O-N 2.95Å; D106-V110 VanDerWaalsContact O-N 3.08Å; T107-V110 PolarHBondContact O-N 3.42Å; V110-Q114 WeakPolarHBondContact O-CG 3.46Å; V110-Q114 PolarHBondContact O-NE2 3.02Å |
| 111 | F | 96.1 | Very high | 96 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.6 | -40.2 | 175.3 | -71.5 | 10.9 | 0 | 0 | 0 | 111.2 | L93 Y96 L103 T107 I108 R109 Q114 I115 T152 I154 | L93-F111 HydrophobicContact CD1-CD2 4Å; L93-F111 HydrophobicContact CD1-CE2 3.82Å; Y96-F111 HydrophobicContact CD1-CE2 4.15Å; Y96-F111 HydrophobicContact CD1-CZ 4.47Å; Y96-F111 AromaticContact CE1-CE2 3.87Å; Y96-F111 HydrophobicContact CE1-CE2 3.87Å; Y96-F111 AromaticContact CE1-CZ 3.87Å; Y96-F111 HydrophobicContact CE1-CZ 3.87Å; L103-F111 HydrophobicContact CD1-CD2 4.06Å; L103-F111 HydrophobicContact CD1-CE2 3.82Å; T107-F111 HydrophobicContact CG2-CD1 4.26Å; T107-F111 HydrophobicContact CG2-CD2 4.46Å; T107-F111 HydrophobicContact CG2-CE1 3.84Å; T107-F111 HydrophobicContact CG2-CE2 4.08Å; T107-F111 HydrophobicContact CG2-CZ 3.75Å; T107-F111 WeakPolarHBondContact O-CD1 3.23Å; T107-F111 WeakPolarHBondContact O-CG 3.37Å; T107-F111 PolarHBondContact O-N 3.37Å; I108-F111 PolarHBondContact O-N 3.48Å; R109-F111 VanDerWaalsContact C-N 3.32Å; R109-F111 PolarHBondContact O-N 3.34Å; F111-Q114 WeakPolarHBondContact O-CB 3.29Å; F111-Q114 PolarHBondContact O-N 3.45Å; F111-I115 WeakPolarHBondContact O-CG1 3.24Å; F111-I115 PolarHBondContact O-N 3.07Å; F111-T152 HydrophobicContact CE1-CG2 4.06Å; F111-T152 HydrophobicContact CZ-CG2 4.14Å; F111-I154 HydrophobicContact CB-CG1 4.1Å; F111-I154 HydrophobicContact CD1-CD1 3.9Å; F111-I154 HydrophobicContact CD1-CG1 3.74Å; F111-I154 HydrophobicContact CD2-CD1 3.94Å; F111-I154 HydrophobicContact CD2-CG1 4.34Å; F111-I154 HydrophobicContact CE1-CD1 3.97Å; F111-I154 HydrophobicContact CE1-CG1 4.24Å; F111-I154 HydrophobicContact CE2-CD1 4Å; F111-I154 HydrophobicContact CG-CD1 3.89Å; F111-I154 HydrophobicContact CG-CG1 3.8Å; F111-I154 HydrophobicContact CZ-CD1 4.02Å |
| 112 | L | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.6 | -32.3 | -176.8 | -169.6 | 61.5 | 0 | 0 | 0 | 113.2 | I108 R109 Q114 I115 A116 I200 V204 L247 F265 F270 L271 | I108-L112 WeakPolarHBondContact O-CB 3.37Å; I108-L112 PolarHBondContact O-N 2.8Å; R109-L112 PolarHBondContact O-N 3.07Å; L112-Q114 VanDerWaalsContact C-N 3.28Å; L112-Q114 PolarHBondContact O-N 3.46Å; L112-I115 HydrophobicContact CD1-CB 4.31Å; L112-I115 HydrophobicContact CD1-CG2 4.34Å; L112-I115 PolarHBondContact O-N 3.47Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.35Å; L112-A116 PolarHBondContact O-N 2.84Å; L112-I200 HydrophobicContact CD1-CG2 3.52Å; L112-V204 HydrophobicContact CD1-CG2 3.75Å; L112-V204 HydrophobicContact CD2-CG2 3.87Å; L112-V204 HydrophobicContact CG-CG2 4.36Å; L112-L247 HydrophobicContact CD2-CD2 3.58Å; L112-F265 HydrophobicContact CD1-CE2 4.12Å; L112-F265 HydrophobicContact CD1-CZ 3.94Å; L112-F265 HydrophobicContact CD2-CE2 4.32Å; L112-F265 HydrophobicContact CG-CE2 4.33Å; L112-F265 HydrophobicContact CG-CZ 4.35Å; L112-F270 HydrophobicContact CD2-CD1 4.36Å; L112-F270 HydrophobicContact CD2-CE1 4.42Å; L112-L271 HydrophobicContact CB-CD2 4.09Å; L112-L271 HydrophobicContact CD2-CD2 3.74Å; L112-L271 HydrophobicContact CG-CD2 3.74Å |
| 113 | Q | 96.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 30% | 0.304 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57 | -42.5 | 168.9 | -76.7 | 168.2 | -25.9 | 0 | 0 | 111.4 | R109 A116 G117 L271 | R109-Q113 HydrophobicContact CG-CG 4.34Å; R109-Q113 WeakPolarHBondContact O-CB 3.36Å; R109-Q113 VanDerWaalsContact O-CG 3.25Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.45Å; Q113-A116 PolarHBondContact O-N 3.24Å; Q113-G117 PolarHBondContact O-N 3.42Å; Q113-L271 HydrophobicContact CG-CB 4.47Å; Q113-L271 HydrophobicContact CG-CD2 4.48Å; Q113-L271 PolarHBondContact NE2-O 2.96Å |
| 114 | Q | 96.6 | Very high | 95.9 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.6 | -42 | 177.7 | -72.4 | 179.8 | 78.8 | 0 | 0 | 112.5 | N67 V110 F111 L112 G117 A118 T152 C153 I154 | N67-Q114 HydrophobicContact CB-CB 4.39Å; N67-Q114 VanDerWaalsContact CB-O 3.31Å; N67-Q114 WeakPolarHBondContact CB-O 3.5Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.45Å; N67-Q114 PolarHBondContact ND2-OE1 3.39Å; N67-Q114 PolarHBondContact OD1-O 3.18Å; V110-Q114 WeakPolarHBondContact O-CG 3.46Å; V110-Q114 PolarHBondContact O-NE2 3.02Å; F111-Q114 WeakPolarHBondContact O-CB 3.29Å; F111-Q114 PolarHBondContact O-N 3.45Å; L112-Q114 VanDerWaalsContact C-N 3.28Å; L112-Q114 PolarHBondContact O-N 3.46Å; Q114-G117 PolarHBondContact O-N 2.9Å; Q114-A118 PolarHBondContact O-N 3.04Å; Q114-A118 VanDerWaalsContact O-N 3.13Å; Q114-T152 PolarHBondContact NE2-O 3.43Å; Q114-T152 VanDerWaalsContact NE2-O 3.08Å; Q114-C153 VanDerWaalsContact OE1-CA 3.31Å; Q114-I154 HydrophobicContact CB-CB 4.12Å |
| 115 | I | 97.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 172.6 | -68.5 | 165.9 | 0 | 0 | 0 | 110.4 | F111 L112 G117 A118 M119 I137 I154 I200 | F111-I115 WeakPolarHBondContact O-CG1 3.24Å; F111-I115 PolarHBondContact O-N 3.07Å; L112-I115 HydrophobicContact CD1-CB 4.31Å; L112-I115 HydrophobicContact CD1-CG2 4.34Å; L112-I115 PolarHBondContact O-N 3.47Å; I115-G117 VanDerWaalsContact C-N 3.34Å; I115-G117 PolarHBondContact O-N 3.4Å; I115-A118 PolarHBondContact O-N 2.92Å; I115-M119 HydrophobicContact CG2-CG 4.2Å; I115-M119 WeakPolarHBondContact O-CG 3.5Å; I115-M119 PolarHBondContact O-N 2.88Å; I115-I137 HydrophobicContact CD1-CG2 4.42Å; I115-I154 HydrophobicContact CG1-CG2 4.12Å; I115-I200 HydrophobicContact CG2-CD1 3.95Å; I115-I200 HydrophobicContact CG2-CG1 4.07Å; I115-I200 HydrophobicContact CG2-CG2 4.48Å |
| 116 | A | 97.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L112 Q113 A118 M119 K120 F265 F266 L271 | L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.35Å; L112-A116 PolarHBondContact O-N 2.84Å; Q113-A116 PolarHBondContact O-N 3.24Å; A116-A118 PolarHBondContact O-N 2.84Å; A116-M119 PolarHBondContact O-N 3.41Å; A116-K120 WeakPolarHBondContact O-CB 3.49Å; A116-K120 PolarHBondContact O-N 2.9Å; A116-F265 HydrophobicContact CB-CE1 3.87Å; A116-F265 HydrophobicContact CB-CZ 4.06Å; A116-F266 HydrophobicContact CB-CD1 4.1Å; A116-F266 HydrophobicContact CB-CE1 4.35Å; A116-F266 VanDerWaalsContact O-CE1 3.28Å; A116-F266 WeakPolarHBondContact O-CE1 3.39Å; A116-L271 HydrophobicContact CB-CD1 4.12Å |
| 117 | G | 97.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 24% | 0.237 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q113 Q114 I115 K120 V121 | Q113-G117 PolarHBondContact O-N 3.42Å; Q114-G117 PolarHBondContact O-N 2.9Å; I115-G117 VanDerWaalsContact C-N 3.34Å; I115-G117 PolarHBondContact O-N 3.4Å; G117-K120 PolarHBondContact O-N 3.24Å; G117-V121 PolarHBondContact O-N 3.48Å |
| 118 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H65 N67 I68 Q114 I115 A116 K120 V121 L122 I156 | H65-A118 PolarHBondContact CE1-N 2.96Å; N67-A118 HydrophobicContact CB-CB 4.02Å; N67-A118 WeakPolarHBondContact O-CB 3.4Å; I68-A118 HydrophobicContact CD1-CB 4.27Å; I68-A118 HydrophobicContact CG1-CB 3.77Å; Q114-A118 PolarHBondContact O-N 3.04Å; Q114-A118 VanDerWaalsContact O-N 3.13Å; I115-A118 PolarHBondContact O-N 2.92Å; A116-A118 PolarHBondContact O-N 2.84Å; A118-K120 VanDerWaalsContact C-N 3.26Å; A118-K120 PolarHBondContact O-N 3.39Å; A118-V121 WeakPolarHBondContact O-CB 3.49Å; A118-V121 PolarHBondContact O-N 3.05Å; A118-V121 VanDerWaalsContact O-N 3.09Å; A118-L122 WeakPolarHBondContact O-CD1 3.31Å; A118-L122 PolarHBondContact O-N 3.06Å; A118-L122 VanDerWaalsContact O-N 3.13Å; A118-I156 HydrophobicContact CB-CD1 3.58Å; A118-I156 HydrophobicContact CB-CG1 4.04Å |
| 119 | M | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -32.3 | 179.9 | -69.8 | -51.2 | -61.2 | 0 | 0 | 112.8 | I115 A116 V121 L122 Q123 L132 I156 D196 I200 F262 F266 | I115-M119 HydrophobicContact CG2-CG 4.2Å; I115-M119 WeakPolarHBondContact O-CG 3.5Å; I115-M119 PolarHBondContact O-N 2.88Å; A116-M119 PolarHBondContact O-N 3.41Å; M119-V121 VanDerWaalsContact C-N 3.32Å; M119-V121 PolarHBondContact O-N 3.32Å; M119-L122 HydrophobicContact CE-CD2 4.21Å; M119-L122 PolarHBondContact O-N 2.94Å; M119-L122 HydrophobicContact SD-CD2 4.02Å; M119-Q123 WeakPolarHBondContact O-CB 3.26Å; M119-Q123 PolarHBondContact O-N 3.11Å; M119-L132 HydrophobicContact CE-CD1 4.3Å; M119-L132 HydrophobicContact SD-CD1 3.9Å; M119-I156 HydrophobicContact SD-CD1 4.03Å; M119-D196 HydrophobicContact CE-CB 3.67Å; M119-I200 HydrophobicContact CE-CD1 4.34Å; M119-I200 HydrophobicContact CG-CD1 3.57Å; M119-I200 HydrophobicContact SD-CD1 4.03Å; M119-F262 HydrophobicContact CE-CE1 3.94Å; M119-F262 HydrophobicContact CE-CZ 4.35Å; M119-F266 HydrophobicContact CB-CE1 4.1Å; M119-F266 HydrophobicContact CB-CZ 4.27Å |
| 120 | K | 96 | Very high | 95.3 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 50% | 0.496 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 174.7 | -166.8 | 162.7 | -174.1 | 163.3 | 0 | 112.1 | A116 G117 A118 T124 F266 | A116-K120 WeakPolarHBondContact O-CB 3.49Å; A116-K120 PolarHBondContact O-N 2.9Å; G117-K120 PolarHBondContact O-N 3.24Å; A118-K120 VanDerWaalsContact C-N 3.26Å; A118-K120 PolarHBondContact O-N 3.39Å; K120-T124 VanDerWaalsContact O-CB 3.26Å; K120-T124 WeakPolarHBondContact O-CB 3.41Å; K120-T124 PolarHBondContact O-N 3.29Å; K120-T124 PolarHBondContact O-OG1 3.31Å; K120-F266 VanDerWaalsContact CA-CZ 3.42Å; K120-F266 HydrophobicContact CB-CE1 3.97Å; K120-F266 HydrophobicContact CB-CE2 4Å; K120-F266 HydrophobicContact CB-CZ 3.65Å; K120-F266 HydrophobicContact CD-CD2 4.27Å; K120-F266 HydrophobicContact CD-CE2 4.37Å; K120-F266 HydrophobicContact CG-CD2 4.36Å; K120-F266 HydrophobicContact CG-CE2 3.97Å; K120-F266 HydrophobicContact CG-CZ 4.16Å |
| 121 | V | 96.2 | Very high | 95.2 | Very high | 32 Ų | 32 | 29 Ų | 29 | 19% | 0.194 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | L63 H65 G117 A118 M119 K125 | L63-V121 HydrophobicContact CD2-CG1 3.88Å; H65-V121 HydrophobicContact CB-CG2 4.2Å; G117-V121 PolarHBondContact O-N 3.48Å; A118-V121 WeakPolarHBondContact O-CB 3.49Å; A118-V121 PolarHBondContact O-N 3.05Å; A118-V121 VanDerWaalsContact O-N 3.09Å; M119-V121 VanDerWaalsContact C-N 3.32Å; M119-V121 PolarHBondContact O-N 3.32Å; V121-K125 WeakPolarHBondContact O-CG 3.28Å; V121-K125 PolarHBondContact O-N 3.18Å |
| 122 | L | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -53 | 174.9 | -93.6 | 67.5 | 0 | 0 | 0 | 111.5 | L63 I68 A118 M119 T124 K125 G126 I127 H129 F159 | L63-L122 HydrophobicContact CD1-CD1 4.07Å; L63-L122 HydrophobicContact CD2-CD1 3.92Å; I68-L122 HydrophobicContact CD1-CD1 3.57Å; A118-L122 WeakPolarHBondContact O-CD1 3.31Å; A118-L122 PolarHBondContact O-N 3.06Å; A118-L122 VanDerWaalsContact O-N 3.13Å; M119-L122 HydrophobicContact CE-CD2 4.21Å; M119-L122 PolarHBondContact O-N 2.94Å; M119-L122 HydrophobicContact SD-CD2 4.02Å; L122-T124 PolarHBondContact O-N 2.97Å; L122-K125 CarbonylContact O-C 3.54Å; L122-K125 PolarHBondContact O-N 3.41Å; L122-G126 PolarHBondContact O-N 3.38Å; L122-G126 VanDerWaalsContact O-N 3.16Å; L122-I127 CarbonylContact C-O 3.53Å; L122-I127 WeakPolarHBondContact CB-O 3.5Å; L122-I127 HydrophobicContact CG-CB 4.36Å; L122-I127 HydrophobicContact CG-CG2 4.21Å; L122-I127 PolarHBondContact O-N 3.45Å; L122-H129 HydrophobicContact CD2-CB 4.08Å; L122-F159 HydrophobicContact CD1-CE1 4.09Å; L122-F159 HydrophobicContact CD1-CZ 4.29Å; L122-F159 HydrophobicContact CD2-CE1 4.12Å; L122-F159 HydrophobicContact CG-CE1 4.36Å |
| 123 | Q | 93.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 30.3 Ų | 30.3 | 31% | 0.308 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 179.3 | -175.8 | -131.8 | 22.8 | 0 | 0 | 111.5 | M119 K125 G126 F262 | M119-Q123 WeakPolarHBondContact O-CB 3.26Å; M119-Q123 PolarHBondContact O-N 3.11Å; Q123-K125 PolarHBondContact O-N 3.39Å; Q123-K125 VanDerWaalsContact O-N 3.1Å; Q123-G126 PolarHBondContact O-N 2.91Å; Q123-F262 HydrophobicContact CB-CD1 4.19Å; Q123-F262 HydrophobicContact CB-CE1 4.42Å; Q123-F262 HydrophobicContact CG-CB 4.25Å; Q123-F262 HydrophobicContact CG-CD1 4.16Å; Q123-F262 HydrophobicContact CG-CD2 4.37Å; Q123-F262 HydrophobicContact CG-CG 3.99Å; Q123-F262 VanDerWaalsContact NE2-CB 3.33Å |
| 124 | T | 92.9 | Very high | 95.2 | Very high | 108 Ų | 108 | 27.2 Ų | 27.2 | 66% | 0.663 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -58.3 | -25.3 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | K120 L122 | K120-T124 VanDerWaalsContact O-CB 3.26Å; K120-T124 WeakPolarHBondContact O-CB 3.41Å; K120-T124 PolarHBondContact O-N 3.29Å; K120-T124 PolarHBondContact O-OG1 3.31Å; L122-T124 PolarHBondContact O-N 2.97Å |
| 125 | K | 92.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 29.4 Ų | 29.4 | 39% | 0.391 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 2.8 | 177.8 | -66.4 | -169 | 175.5 | -147 | 0 | 114.2 | E62 L63 V121 L122 Q123 I127 | E62-K125 PolarHBondContact O-NZ 3.38Å; L63-K125 HydrophobicContact CD2-CD 4.24Å; V121-K125 WeakPolarHBondContact O-CG 3.28Å; V121-K125 PolarHBondContact O-N 3.18Å; L122-K125 CarbonylContact O-C 3.54Å; L122-K125 PolarHBondContact O-N 3.41Å; Q123-K125 PolarHBondContact O-N 3.39Å; Q123-K125 VanDerWaalsContact O-N 3.1Å; K125-I127 HydrophobicContact CB-CD1 3.71Å; K125-I127 HydrophobicContact CB-CG1 3.9Å; K125-I127 HydrophobicContact CD-CD1 4.28Å; K125-I127 PolarHBondContact O-N 3.43Å |
| 126 | G | 91.8 | Very high | 95 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 32.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L122 Q123 Y164 L165 | L122-G126 PolarHBondContact O-N 3.38Å; L122-G126 VanDerWaalsContact O-N 3.16Å; Q123-G126 PolarHBondContact O-N 2.91Å; G126-Y164 CarbonylContact O-C 3.55Å; G126-Y164 VanDerWaalsContact O-CA 3.32Å; G126-Y164 WeakPolarHBondContact O-CA 3.05Å; G126-L165 PolarHBondContact O-N 3.22Å |
| 127 | I | 93.1 | Very high | 95 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.8 | -179.5 | -62.4 | 171.6 | 0 | 0 | 0 | 109.2 | I59 L63 L122 K125 A162 R163 Y164 | I59-I127 HydrophobicContact CG1-CD1 4.45Å; I59-I127 HydrophobicContact CG2-CD1 4.28Å; I59-I127 HydrophobicContact CG2-CG2 4.16Å; L63-I127 HydrophobicContact CD2-CD1 4.15Å; L63-I127 HydrophobicContact CG-CD1 4.28Å; L122-I127 CarbonylContact C-O 3.53Å; L122-I127 WeakPolarHBondContact CB-O 3.5Å; L122-I127 HydrophobicContact CG-CB 4.36Å; L122-I127 HydrophobicContact CG-CG2 4.21Å; L122-I127 PolarHBondContact O-N 3.45Å; K125-I127 HydrophobicContact CB-CD1 3.71Å; K125-I127 HydrophobicContact CB-CG1 3.9Å; K125-I127 HydrophobicContact CD-CD1 4.28Å; K125-I127 PolarHBondContact O-N 3.43Å; I127-A162 HydrophobicContact CG2-CB 4.46Å; I127-R163 WeakPolarHBondContact CA-O 3.45Å; I127-Y164 HydrophobicContact CD1-CD1 4.38Å; I127-Y164 HydrophobicContact CD1-CE1 3.88Å; I127-Y164 HydrophobicContact CG1-CD1 3.76Å; I127-Y164 HydrophobicContact CG1-CE1 3.79Å |
| 128 | I | 93.5 | Very high | 95 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.4 | 172.3 | 61.3 | 174.4 | 0 | 0 | 0 | 109.8 | R130 A162 R163 L165 A171 Y191 A193 D196 | I128-R130 HydrophobicContact CB-CG 4.27Å; I128-R130 HydrophobicContact CD1-CG 3.89Å; I128-R130 HydrophobicContact CG1-CG 3.85Å; I128-A162 CarbonylContact O-C 3.52Å; I128-A162 WeakPolarHBondContact O-CA 3.45Å; I128-R163 HydrophobicContact CD1-CG 3.83Å; I128-R163 HydrophobicContact CG1-CG 3.55Å; I128-R163 PolarHBondContact N-O 2.71Å; I128-R163 PolarHBondContact O-N 3.44Å; I128-L165 HydrophobicContact CD1-CB 4.21Å; I128-L165 HydrophobicContact CD1-CD1 4.36Å; I128-L165 HydrophobicContact CD1-CD2 4.29Å; I128-L165 HydrophobicContact CG1-CB 4.4Å; I128-L165 HydrophobicContact CG2-CB 4.32Å; I128-L165 HydrophobicContact CG2-CD2 4.37Å; I128-A171 HydrophobicContact CD1-CB 4.45Å; I128-Y191 HydrophobicContact CD1-CE2 4.2Å; I128-A193 HydrophobicContact CG2-CB 3.51Å; I128-D196 WeakPolarHBondContact CA-OD2 3.46Å |
| 129 | H | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -87.7 | -47.7 | -171.9 | -167.5 | -91.3 | 0 | 0 | 0 | 112.6 | L122 D131 L132 A157 F159 F161 D196 | L122-H129 HydrophobicContact CD2-CB 4.08Å; H129-D131 PolarHBondContact O-N 2.95Å; H129-D131 VanDerWaalsContact O-N 3.11Å; H129-L132 HydrophobicContact CB-CD1 4.4Å; H129-L132 HydrophobicContact CB-CD2 4.08Å; H129-L132 HydrophobicContact CB-CG 3.91Å; H129-L132 WeakPolarHBondContact ND1-CD2 3.41Å; H129-L132 PolarHBondContact ND1-N 3.19Å; H129-A157 PolarHBondContact CE1-O 3.11Å; H129-A157 PolarHBondContact NE2-O 3.23Å; H129-A157 VanDerWaalsContact NE2-O 3.16Å; H129-F159 AromaticContact CD2-CD1 3.66Å; H129-F159 AromaticContact CD2-CE1 3.54Å; H129-F159 AromaticContact CD2-CG 4Å; H129-F159 AromaticContact CD2-CZ 3.77Å; H129-F159 AromaticContact NE2-CD2 3.87Å; H129-F159 AromaticContact NE2-CE2 3.95Å; H129-F159 AromaticContact NE2-CG 3.95Å; H129-F161 CarbonylContact O-C 3.55Å; H129-D196 PolarHBondContact N-OD2 3.05Å | ||
| 130 | R | 92.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 68.3 | -7.6 | 173.8 | -47.3 | -171 | -68.3 | 158.2 | 4.2 | 117.6 | I128 F161 C175 G176 Y191 D196 | I128-R130 HydrophobicContact CB-CG 4.27Å; I128-R130 HydrophobicContact CD1-CG 3.89Å; I128-R130 HydrophobicContact CG1-CG 3.85Å; R130-F161 PolarHBondContact NE-O 3.12Å; R130-F161 PolarHBondContact NH2-O 3.3Å; R130-C175 PolarHBondContact NH1-SG 3.12Å; R130-G176 WeakPolarHBondContact O-CA 3.21Å; R130-Y191 VanDerWaalsContact CD-OH 3.29Å; R130-Y191 WeakPolarHBondContact CD-OH 3.46Å; R130-Y191 HydrophobicContact CG-CE2 4.3Å; R130-Y191 PolarHBondContact NH1-OH 3.09Å; R130-D196 PolarHBondContact N-OD1 2.9Å |
| 131 | D | 92.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -134.3 | 49.9 | 169.7 | -165.4 | 37.8 | 0 | 0 | 0 | 111.6 | H129 K133 N136 F161 G176 S177 | H129-D131 PolarHBondContact O-N 2.95Å; H129-D131 VanDerWaalsContact O-N 3.11Å; D131-K133 PolarHBondContact O-N 3.21Å; D131-K133 IonicContact OD1-NZ 3.96Å; D131-K133 IonicContact OD2-NZ 3.55Å; D131-K133 PolarHBondContact OD2-NZ 3.31Å; D131-N136 PolarHBondContact O-ND2 3.36Å; D131-N136 PolarHBondContact OD2-ND2 3.2Å; D131-F161 HydrophobicContact CB-CB 4.28Å; D131-F161 HydrophobicContact CB-CD2 3.62Å; D131-F161 HydrophobicContact CB-CE2 4.38Å; D131-F161 HydrophobicContact CB-CG 4.3Å; D131-G176 VanDerWaalsContact OD1-CA 3.26Å; D131-G176 WeakPolarHBondContact OD1-CA 3.26Å; D131-S177 WeakPolarHBondContact OD1-CB 2.88Å; D131-S177 PolarHBondContact OD1-N 3.17Å; D131-S177 PolarHBondContact OD1-OG 2.81Å | ||
| 132 | L | 97.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -74.1 | 122 | 169.6 | -68.7 | 175.7 | 0 | 0 | 0 | 109.5 | M119 H129 I137 I156 Y180 D196 I200 I203 | M119-L132 HydrophobicContact CE-CD1 4.3Å; M119-L132 HydrophobicContact SD-CD1 3.9Å; H129-L132 HydrophobicContact CB-CD1 4.4Å; H129-L132 HydrophobicContact CB-CD2 4.08Å; H129-L132 HydrophobicContact CB-CG 3.91Å; H129-L132 WeakPolarHBondContact ND1-CD2 3.41Å; H129-L132 PolarHBondContact ND1-N 3.19Å; L132-I137 HydrophobicContact CD2-CD1 4.39Å; L132-I156 HydrophobicContact CD2-CD1 4.21Å; L132-I156 HydrophobicContact CD2-CG2 3.71Å; L132-Y180 WeakPolarHBondContact O-CB 3.41Å; L132-D196 HydrophobicContact CD1-CB 3.77Å; L132-I200 HydrophobicContact CD1-CD1 4.03Å; L132-I200 HydrophobicContact CD1-CG1 3.9Å; L132-I203 HydrophobicContact CB-CD1 4.24Å | ||
| 133 | K | 95.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 15% | 0.148 | 19% | 0.188 | C | C | . | . | trans | -158.3 | 160.6 | 179.9 | 65.8 | -162.7 | -174 | -154.8 | 0 | 109 | D131 Q135 N136 I137 S177 Y180 | D131-K133 PolarHBondContact O-N 3.21Å; D131-K133 IonicContact OD1-NZ 3.96Å; D131-K133 IonicContact OD2-NZ 3.55Å; D131-K133 PolarHBondContact OD2-NZ 3.31Å; K133-Q135 HydrophobicContact CG-CB 4.21Å; K133-Q135 PolarHBondContact O-N 3.27Å; K133-Q135 VanDerWaalsContact O-N 3.12Å; K133-N136 WeakPolarHBondContact CE-ND2 3.46Å; K133-N136 WeakPolarHBondContact CE-OD1 3.5Å; K133-N136 HydrophobicContact CG-CB 4.03Å; K133-N136 WeakPolarHBondContact O-CA 3.22Å; K133-N136 PolarHBondContact O-N 3.18Å; K133-I137 WeakPolarHBondContact O-CG1 3.03Å; K133-I137 PolarHBondContact O-N 3Å; K133-S177 WeakPolarHBondContact CD-OG 3.31Å; K133-S177 PolarHBondContact NZ-OG 3.05Å; K133-S177 VanDerWaalsContact NZ-OG 3.12Å; K133-Y180 HydrophobicContact CB-CD1 4.32Å; K133-Y180 HydrophobicContact CB-CD2 3.56Å; K133-Y180 HydrophobicContact CB-CE2 3.79Å; K133-Y180 HydrophobicContact CB-CG 3.85Å | ||
| 134 | P | 96.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -56.9 | -31.8 | -176.3 | -25.8 | 35.5 | 0 | 0 | 0 | 114.4 | L93 A94 N136 I137 Y180 I203 | L93-P134 HydrophobicContact CB-CB 4.06Å; L93-P134 WeakPolarHBondContact CB-O 3.3Å; L93-P134 HydrophobicContact CG-CB 4.24Å; L93-P134 PolarHBondContact N-O 3.48Å; L93-P134 VanDerWaalsContact N-O 3.13Å; A94-P134 HydrophobicContact CB-CB 3.91Å; P134-N136 PolarHBondContact O-N 3.14Å; P134-I137 PolarHBondContact O-N 2.99Å; P134-I137 VanDerWaalsContact O-N 3.15Å; P134-Y180 VanDerWaalsContact CD-CZ 3.43Å; P134-Y180 HydrophobicContact CG-CE1 3.97Å; P134-I203 HydrophobicContact CG-CG1 4.26Å |
| 135 | Q | 94.7 | Very high | 89.7 | Confident | 76 Ų | 76 | 38 Ų | 38 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -64.5 | -26 | 174.8 | -62.1 | 77.8 | 11.7 | 0 | 0 | 113.5 | A94 K133 | A94-Q135 HydrophobicContact CB-CG 3.94Å; A94-Q135 VanDerWaalsContact CB-NE2 3.34Å; K133-Q135 HydrophobicContact CG-CB 4.21Å; K133-Q135 PolarHBondContact O-N 3.27Å; K133-Q135 VanDerWaalsContact O-N 3.12Å |
| 136 | N | 96.1 | Very high | 87.9 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -97.7 | 9.3 | 178.8 | -69.1 | 0.9 | 0 | 0 | 0 | 112.1 | D131 K133 P134 A157 | D131-N136 PolarHBondContact O-ND2 3.36Å; D131-N136 PolarHBondContact OD2-ND2 3.2Å; K133-N136 WeakPolarHBondContact CE-ND2 3.46Å; K133-N136 WeakPolarHBondContact CE-OD1 3.5Å; K133-N136 HydrophobicContact CG-CB 4.03Å; K133-N136 WeakPolarHBondContact O-CA 3.22Å; K133-N136 PolarHBondContact O-N 3.18Å; P134-N136 PolarHBondContact O-N 3.14Å; N136-A157 PolarHBondContact O-N 2.95Å |
| 137 | I | 97.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 97.6 | 174.7 | -57.9 | -61.5 | 0 | 0 | 0 | 107.5 | L93 I115 L132 K133 P134 I154 I156 I203 | L93-I137 HydrophobicContact CB-CB 3.99Å; L93-I137 HydrophobicContact CB-CG2 4.08Å; L93-I137 WeakPolarHBondContact CB-O 3.43Å; L93-I137 HydrophobicContact CD2-CB 4.09Å; L93-I137 HydrophobicContact CD2-CG2 3.77Å; L93-I137 PolarHBondContact N-O 3.07Å; I115-I137 HydrophobicContact CD1-CG2 4.42Å; L132-I137 HydrophobicContact CD2-CD1 4.39Å; K133-I137 WeakPolarHBondContact O-CG1 3.03Å; K133-I137 PolarHBondContact O-N 3Å; P134-I137 PolarHBondContact O-N 2.99Å; P134-I137 VanDerWaalsContact O-N 3.15Å; I137-I154 HydrophobicContact CG2-CG2 3.38Å; I137-I156 HydrophobicContact CD1-CG1 3.92Å; I137-I203 HydrophobicContact CG1-CD1 4.29Å |
| 138 | L | 97 | Very high | 84.6 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 149.6 | -172.8 | -54.6 | -173.1 | 0 | 0 | 0 | 112.3 | V69 C88 G91 D92 I154 K155 A157 | V69-L138 HydrophobicContact CG2-CD1 4.03Å; C88-L138 HydrophobicContact CB-CB 3.62Å; C88-L138 HydrophobicContact CB-CD1 3.91Å; C88-L138 HydrophobicContact CB-CG 4.4Å; G91-L138 WeakPolarHBondContact O-CA 3.48Å; D92-L138 HydrophobicContact CB-CD2 3.62Å; L138-I154 CarbonylContact O-C 3.58Å; L138-I154 WeakPolarHBondContact O-CA 3.31Å; L138-K155 PolarHBondContact N-O 2.91Å; L138-K155 PolarHBondContact O-N 2.94Å; L138-A157 HydrophobicContact CD1-CB 3.73Å; L138-A157 HydrophobicContact CG-CB 3.83Å |
| 139 | L | 94.9 | Very high | 83 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.8 | 176.5 | -75.2 | 73.2 | 0 | 0 | 0 | 110.2 | C88 G90 G91 L93 Y96 T152 I154 | C88-L139 CarbonylContact C-O 3.59Å; C88-L139 WeakPolarHBondContact CB-O 3.48Å; G90-L139 WeakPolarHBondContact CA-O 3.3Å; G90-L139 PolarHBondContact N-O 3.26Å; G91-L139 PolarHBondContact O-N 3.26Å; L93-L139 HydrophobicContact CB-CD1 4.14Å; Y96-L139 HydrophobicContact CD1-CD2 4.09Å; Y96-L139 HydrophobicContact CD2-CD2 3.49Å; Y96-L139 VanDerWaalsContact CD2-CD2 3.49Å; Y96-L139 HydrophobicContact CE2-CD2 4.01Å; Y96-L139 HydrophobicContact CG-CD2 3.53Å; L139-T152 HydrophobicContact CB-CG2 4.11Å; L139-T152 HydrophobicContact CD2-CG2 3.78Å; L139-T152 HydrophobicContact CG-CG2 3.79Å; L139-I154 HydrophobicContact CD1-CD1 4.23Å; L139-I154 HydrophobicContact CG-CD1 3.9Å |
| 140 | S | 92.4 | Very high | 81.4 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.6 | 171.8 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | C153 | S140-C153 PolarHBondContact N-O 3.09Å; S140-C153 WeakPolarHBondContact O-CB 3.18Å; S140-C153 PolarHBondContact O-N 3.46Å |
| 141 | Y | 89.1 | Confident | 80.4 | Confident | 39 Ų | 39 | 59 Ų | 59 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | trans | -106.1 | 124.1 | 177.6 | -57.6 | -63 | 0 | 0 | 0 | 109.6 | N89 S147 T152 | N89-Y141 PolarHBondContact ND2-O 3.32Å; N89-Y141 PolarHBondContact OD1-N 3.18Å; Y141-S147 VanDerWaalsContact CE1-OG 3.27Å; Y141-S147 WeakPolarHBondContact CE1-OG 3.32Å; Y141-S147 PolarHBondContact OH-OG 3.09Å; Y141-S147 VanDerWaalsContact OH-OG 3.07Å; Y141-T152 HydrophobicContact CE1-CG2 3.97Å | ||
| 142 | P | 80.1 | Confident | 80.1 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | trans | -63 | 139.4 | 178 | 25.7 | -33.9 | 0 | 0 | 0 | 110.9 | R145 N151 | P142-R145 PolarHBondContact O-N 2.96Å; P142-N151 VanDerWaalsContact CD-O 3.32Å; P142-N151 WeakPolarHBondContact CD-O 3.31Å | ||
| 143 | P | 70.4 | Confident | 79.8 | Confident | 127 Ų | 127 | 60 Ų | 60 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 144 | -172.2 | 23.1 | -33.6 | 0 | 0 | 0 | 112.5 | R145 | P143-R145 VanDerWaalsContact C-N 3.32Å; P143-R145 PolarHBondContact O-N 3.06Å |
| 144 | G | 67.4 | Low | 79.7 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 95% | 0.948 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -4.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 145 | R | 61.5 | Low | 79.8 | Confident | 159 Ų | 159 | 58.9 Ų | 58.9 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | trans | -105.6 | 143.7 | 174.6 | -60.1 | -169.4 | -175.6 | -176.9 | 2.9 | 111.7 | P142 P143 N151 | P142-R145 PolarHBondContact O-N 2.96Å; P143-R145 VanDerWaalsContact C-N 3.32Å; P143-R145 PolarHBondContact O-N 3.06Å; R145-N151 PolarHBondContact NH1-OD1 3.22Å | ||
| 146 | K | 55.1 | Low | 79.9 | Confident | 174 Ų | 174 | 55.3 Ų | 55.3 | 76% | 0.757 | 31% | 0.311 | S | S | * | . | trans | -72.3 | 149 | 171.2 | -68 | 179.7 | 178.9 | 177.3 | 0 | 109.9 | H148 | K146-H148 PolarHBondContact O-N 3.46Š| ||
| 147 | S | 58.2 | Low | 79.9 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | trans | -59.2 | 104.9 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | Y141 | Y141-S147 VanDerWaalsContact CE1-OG 3.27Å; Y141-S147 WeakPolarHBondContact CE1-OG 3.32Å; Y141-S147 PolarHBondContact OH-OG 3.09Å; Y141-S147 VanDerWaalsContact OH-OG 3.07Å | ||
| 148 | H | 58 | Low | 79.5 | Confident | 115 Ų | 115 | 57.8 Ų | 57.8 | 53% | 0.532 | 33% | 0.326 | S | S | . | . | trans | -135.1 | 131.6 | 174.2 | -71.3 | -3.4 | 0 | 0 | 0 | 106.4 | K146 N150 N151 | K146-H148 PolarHBondContact O-N 3.46Å; H148-N150 PolarHBondContact O-N 3.11Å; H148-N151 PolarHBondContact O-N 3.37Å | ||
| 149 | S | 59.3 | Low | 79.2 | Confident | 40 Ų | 40 | 56 Ų | 56 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -43.9 | -37 | -173.3 | 38.9 | 0 | 0 | 0 | 0 | 114.8 | N151 T152 | S149-N151 VanDerWaalsContact C-N 3.25Å; S149-N151 PolarHBondContact O-N 3.26Å; S149-T152 PolarHBondContact O-N 3.41Å |
| 150 | N | 62.7 | Low | 78.7 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 73% | 0.733 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -76.5 | -8.2 | -173.8 | -48.8 | 27.8 | 0 | 0 | 0 | 113.5 | H148 | H148-N150 PolarHBondContact O-N 3.11Š|
| 151 | N | 70.4 | Confident | 78.2 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -119.9 | 9.8 | 178 | -66.3 | -80.9 | 0 | 0 | 0 | 112.6 | P142 R145 H148 S149 C153 | P142-N151 VanDerWaalsContact CD-O 3.32Å; P142-N151 WeakPolarHBondContact CD-O 3.31Å; R145-N151 PolarHBondContact NH1-OD1 3.22Å; H148-N151 PolarHBondContact O-N 3.37Å; S149-N151 VanDerWaalsContact C-N 3.25Å; S149-N151 PolarHBondContact O-N 3.26Å; N151-C153 PolarHBondContact O-N 3.01Å |
| 152 | T | 86.3 | Confident | 78.3 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | trans | -80.7 | 113 | 179.6 | -52.8 | 0 | 0 | 0 | 0 | 110.2 | F111 Q114 L139 Y141 S149 I154 | F111-T152 HydrophobicContact CE1-CG2 4.06Å; F111-T152 HydrophobicContact CZ-CG2 4.14Å; Q114-T152 PolarHBondContact NE2-O 3.43Å; Q114-T152 VanDerWaalsContact NE2-O 3.08Å; L139-T152 HydrophobicContact CB-CG2 4.11Å; L139-T152 HydrophobicContact CD2-CG2 3.78Å; L139-T152 HydrophobicContact CG-CG2 3.79Å; Y141-T152 HydrophobicContact CE1-CG2 3.97Å; S149-T152 PolarHBondContact O-N 3.41Å; T152-I154 HydrophobicContact CG2-CD1 3.88Å | ||
| 153 | C | 91.3 | Very high | 78.6 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.9 | 167.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | Q114 S140 N151 | Q114-C153 VanDerWaalsContact OE1-CA 3.31Å; S140-C153 PolarHBondContact N-O 3.09Å; S140-C153 WeakPolarHBondContact O-CB 3.18Å; S140-C153 PolarHBondContact O-N 3.46Å; N151-C153 PolarHBondContact O-N 3.01Å |
| 154 | I | 95.2 | Very high | 79.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.9 | 176.6 | -60.5 | -60.7 | 0 | 0 | 0 | 109.3 | N67 F111 Q114 I115 I137 L138 L139 T152 | N67-I154 WeakPolarHBondContact CA-O 3.45Å; N67-I154 WeakPolarHBondContact CB-O 3.46Å; N67-I154 PolarHBondContact ND2-O 3.43Å; F111-I154 HydrophobicContact CB-CG1 4.1Å; F111-I154 HydrophobicContact CD1-CD1 3.9Å; F111-I154 HydrophobicContact CD1-CG1 3.74Å; F111-I154 HydrophobicContact CD2-CD1 3.94Å; F111-I154 HydrophobicContact CD2-CG1 4.34Å; F111-I154 HydrophobicContact CE1-CD1 3.97Å; F111-I154 HydrophobicContact CE1-CG1 4.24Å; F111-I154 HydrophobicContact CE2-CD1 4Å; F111-I154 HydrophobicContact CG-CD1 3.89Å; F111-I154 HydrophobicContact CG-CG1 3.8Å; F111-I154 HydrophobicContact CZ-CD1 4.02Å; Q114-I154 HydrophobicContact CB-CB 4.12Å; I115-I154 HydrophobicContact CG1-CG2 4.12Å; I137-I154 HydrophobicContact CG2-CG2 3.38Å; L138-I154 CarbonylContact O-C 3.58Å; L138-I154 WeakPolarHBondContact O-CA 3.31Å; L139-I154 HydrophobicContact CD1-CD1 4.23Å; L139-I154 HydrophobicContact CG-CD1 3.9Å; T152-I154 HydrophobicContact CG2-CD1 3.88Å |
| 155 | K | 97.4 | Very high | 80 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.5 | -177.4 | -73.6 | 166.8 | 178.9 | -76.5 | 0 | 112.3 | E66 N67 V69 E86 L138 | E66-K155 WeakPolarHBondContact O-CE 3.39Å; E66-K155 WeakPolarHBondContact O-CG 3.4Å; E66-K155 PolarHBondContact O-NZ 2.92Å; N67-K155 WeakPolarHBondContact O-CA 3.05Å; V69-K155 HydrophobicContact CG2-CB 3.9Å; E86-K155 VanDerWaalsContact CD-CE 3.46Å; E86-K155 WeakPolarHBondContact OE1-CE 3.4Å; E86-K155 IonicContact OE1-NZ 3.23Å; E86-K155 PolarHBondContact OE1-NZ 3.04Å; E86-K155 WeakPolarHBondContact OE2-CE 3.32Å; E86-K155 IonicContact OE2-NZ 2.96Å; E86-K155 PolarHBondContact OE2-NZ 3.39Å; L138-K155 PolarHBondContact N-O 2.91Å; L138-K155 PolarHBondContact O-N 2.94Å |
| 156 | I | 98.1 | Very high | 80.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136 | 172.4 | -54.8 | -173.7 | 0 | 0 | 0 | 109.8 | N67 V69 A118 M119 L132 I137 F159 | N67-I156 PolarHBondContact O-N 3.36Å; V69-I156 PolarHBondContact N-O 3.25Å; A118-I156 HydrophobicContact CB-CD1 3.58Å; A118-I156 HydrophobicContact CB-CG1 4.04Å; M119-I156 HydrophobicContact SD-CD1 4.03Å; L132-I156 HydrophobicContact CD2-CD1 4.21Å; L132-I156 HydrophobicContact CD2-CG2 3.71Å; I137-I156 HydrophobicContact CD1-CG1 3.92Å; I156-F159 HydrophobicContact CB-CZ 4.46Å; I156-F159 HydrophobicContact CG2-CE2 4.03Å; I156-F159 HydrophobicContact CG2-CZ 3.97Å |
| 157 | A | 94.8 | Very high | 80.4 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | trans | -134.3 | 170 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V69 H129 N136 L138 | V69-A157 HydrophobicContact CB-CB 4.45Å; V69-A157 HydrophobicContact CG2-CB 3.73Å; H129-A157 PolarHBondContact CE1-O 3.11Å; H129-A157 PolarHBondContact NE2-O 3.23Å; H129-A157 VanDerWaalsContact NE2-O 3.16Å; N136-A157 PolarHBondContact O-N 2.95Å; L138-A157 HydrophobicContact CD1-CB 3.73Å; L138-A157 HydrophobicContact CG-CB 3.83Å | ||
| 158 | D | 89.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | trans | 61 | 64.5 | 176.3 | -159.6 | 30.4 | 0 | 0 | 0 | 116.4 | K39 G160 | K39-D158 IonicContact NZ-OD1 2.72Å; K39-D158 PolarHBondContact NZ-OD1 3.13Å; D158-G160 PolarHBondContact O-N 3.18Å | ||
| 159 | F | 91.3 | Very high | 80.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -75 | 17.2 | 177.6 | -72.5 | -104.7 | 0 | 0 | 0 | 113.8 | E56 I59 L60 L63 I68 L122 H129 I156 F161 A162 | E56-F159 HydrophobicContact CG-CB 4.33Å; I59-F159 HydrophobicContact CG2-CB 4.33Å; I59-F159 HydrophobicContact CG2-CD1 3.7Å; I59-F159 HydrophobicContact CG2-CE1 4.46Å; I59-F159 HydrophobicContact CG2-CG 4.32Å; L60-F159 HydrophobicContact CD2-CB 4.02Å; L60-F159 HydrophobicContact CD2-CD2 3.56Å; L60-F159 HydrophobicContact CD2-CE2 4.23Å; L60-F159 HydrophobicContact CD2-CG 3.85Å; L60-F159 HydrophobicContact CG-CB 4.18Å; L60-F159 HydrophobicContact CG-CG 4.5Å; L63-F159 HydrophobicContact CD1-CD1 3.65Å; L63-F159 HydrophobicContact CD1-CE1 3.17Å; L63-F159 HydrophobicContact CD1-CZ 3.73Å; I68-F159 HydrophobicContact CG2-CE2 3.77Å; I68-F159 HydrophobicContact CG2-CZ 3.8Å; L122-F159 HydrophobicContact CD1-CE1 4.09Å; L122-F159 HydrophobicContact CD1-CZ 4.29Å; L122-F159 HydrophobicContact CD2-CE1 4.12Å; L122-F159 HydrophobicContact CG-CE1 4.36Å; H129-F159 AromaticContact CD2-CD1 3.66Å; H129-F159 AromaticContact CD2-CE1 3.54Å; H129-F159 AromaticContact CD2-CG 4Å; H129-F159 AromaticContact CD2-CZ 3.77Å; H129-F159 AromaticContact NE2-CD2 3.87Å; H129-F159 AromaticContact NE2-CE2 3.95Å; H129-F159 AromaticContact NE2-CG 3.95Å; I156-F159 HydrophobicContact CB-CZ 4.46Å; I156-F159 HydrophobicContact CG2-CE2 4.03Å; I156-F159 HydrophobicContact CG2-CZ 3.97Å; F159-F161 PolarHBondContact O-N 2.66Å; F159-A162 HydrophobicContact CB-CB 3.88Å; F159-A162 HydrophobicContact CD1-CB 3.72Å; F159-A162 HydrophobicContact CG-CB 4.26Å; F159-A162 VanDerWaalsContact O-CB 3.27Å; F159-A162 WeakPolarHBondContact O-CB 3.36Å; F159-A162 PolarHBondContact O-N 3.04Å |
| 160 | G | 83.5 | Confident | 80.5 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -61.7 | -26.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | E56 D158 | E56-G160 WeakPolarHBondContact OE2-CA 3.29Å; D158-G160 PolarHBondContact O-N 3.18Å |
| 161 | F | 83.9 | Confident | 80 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -97.3 | -2.5 | 171.6 | -64.1 | -69.8 | 0 | 0 | 0 | 113.9 | F20 H129 R130 D131 F159 C175 | F20-F161 HydrophobicContact CE2-CZ 4.02Å; H129-F161 CarbonylContact O-C 3.55Å; R130-F161 PolarHBondContact NE-O 3.12Å; R130-F161 PolarHBondContact NH2-O 3.3Å; D131-F161 HydrophobicContact CB-CB 4.28Å; D131-F161 HydrophobicContact CB-CD2 3.62Å; D131-F161 HydrophobicContact CB-CE2 4.38Å; D131-F161 HydrophobicContact CB-CG 4.3Å; F159-F161 PolarHBondContact O-N 2.66Å; F161-C175 HydrophobicContact CD1-CB 3.76Å; F161-C175 HydrophobicContact CE1-CB 4.1Å; F161-C175 HydrophobicContact CG-CB 4.48Å |
| 162 | A | 90 | Very high | 79.5 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | trans | -67.8 | 152.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I59 I127 I128 F159 | I59-A162 HydrophobicContact CD1-CB 3.86Å; I59-A162 HydrophobicContact CG2-CB 4.26Å; I127-A162 HydrophobicContact CG2-CB 4.46Å; I128-A162 CarbonylContact O-C 3.52Å; I128-A162 WeakPolarHBondContact O-CA 3.45Å; F159-A162 HydrophobicContact CB-CB 3.88Å; F159-A162 HydrophobicContact CD1-CB 3.72Å; F159-A162 HydrophobicContact CG-CB 4.26Å; F159-A162 VanDerWaalsContact O-CB 3.27Å; F159-A162 WeakPolarHBondContact O-CB 3.36Å; F159-A162 PolarHBondContact O-N 3.04Å | ||
| 163 | R | 86.9 | Confident | 78.7 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 156.3 | 173.9 | 63.3 | 175.1 | -72.2 | 171.4 | -2.2 | 111.9 | I127 I128 | I127-R163 WeakPolarHBondContact CA-O 3.45Å; I128-R163 HydrophobicContact CD1-CG 3.83Å; I128-R163 HydrophobicContact CG1-CG 3.55Å; I128-R163 PolarHBondContact N-O 2.71Å; I128-R163 PolarHBondContact O-N 3.44Å |
| 164 | Y | 86.5 | Confident | 77.9 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 141.2 | 158.7 | -53.6 | -89.2 | 0 | 0 | 0 | 109.8 | K58 I59 E62 G126 I127 | K58-Y164 HydrophobicContact CD-CE2 4.19Å; K58-Y164 WeakPolarHBondContact CE-OH 3.5Å; I59-Y164 HydrophobicContact CD1-CD2 4.46Å; I59-Y164 HydrophobicContact CD1-CE2 4.15Å; I59-Y164 HydrophobicContact CG1-CD2 4.4Å; I59-Y164 HydrophobicContact CG1-CE2 3.65Å; E62-Y164 PolarHBondContact OE1-OH 3.44Å; E62-Y164 WeakPolarHBondContact OE2-CE1 3.41Å; E62-Y164 PolarHBondContact OE2-OH 2.95Å; G126-Y164 CarbonylContact O-C 3.55Å; G126-Y164 VanDerWaalsContact O-CA 3.32Å; G126-Y164 WeakPolarHBondContact O-CA 3.05Å; I127-Y164 HydrophobicContact CD1-CD1 4.38Å; I127-Y164 HydrophobicContact CD1-CE1 3.88Å; I127-Y164 HydrophobicContact CG1-CD1 3.76Å; I127-Y164 HydrophobicContact CG1-CE1 3.79Å |
| 165 | L | 80.4 | Confident | 77 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | trans | -127.1 | 111 | 168.9 | -168.4 | 76 | 0 | 0 | 0 | 106.1 | G126 I128 M169 A171 D192 | G126-L165 PolarHBondContact O-N 3.22Å; I128-L165 HydrophobicContact CD1-CB 4.21Å; I128-L165 HydrophobicContact CD1-CD1 4.36Å; I128-L165 HydrophobicContact CD1-CD2 4.29Å; I128-L165 HydrophobicContact CG1-CB 4.4Å; I128-L165 HydrophobicContact CG2-CB 4.32Å; I128-L165 HydrophobicContact CG2-CD2 4.37Å; L165-M169 HydrophobicContact CD1-CB 4.27Å; L165-M169 WeakPolarHBondContact CD1-O 3.37Å; L165-M169 WeakPolarHBondContact CD2-O 3.19Å; L165-M169 WeakPolarHBondContact CG-O 3.48Å; L165-A171 HydrophobicContact CD1-CB 4.21Å; L165-D192 HydrophobicContact CD2-CB 4.4Å | ||
| 166 | Q | 67.3 | Low | 76.2 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 65% | 0.654 | 26% | 0.26 | S | S | * | . | trans | -66.3 | 143.3 | 172.3 | -72.2 | 177.2 | -34 | 0 | 0 | 109 | N168 M169 | Q166-N168 PolarHBondContact O-N 3.09Å; Q166-M169 HydrophobicContact CB-CG 4Å; Q166-M169 HydrophobicContact CB-SD 4.07Å; Q166-M169 WeakPolarHBondContact O-CB 3.4Å; Q166-M169 PolarHBondContact O-N 3.37Å; Q166-M169 PolarHBondContact OE1-SD 3.13Å | ||
| 167 | N | 56.8 | Low | 75.6 | Confident | 147 Ų | 147 | 50.8 Ų | 50.8 | 79% | 0.786 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137.1 | 174.4 | -62.2 | 10.5 | 0 | 0 | 0 | 109.4 | M169 | N167-M169 VanDerWaalsContact C-N 3.29Å; N167-M169 PolarHBondContact O-N 3.2Å |
| 168 | N | 57.2 | Low | 75.2 | Confident | 172 Ų | 172 | 50.9 Ų | 50.9 | 92% | 0.92 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | -3.8 | -171.8 | -47.3 | -21.9 | 0 | 0 | 0 | 116.7 | Q166 | Q166-N168 PolarHBondContact O-N 3.09Š|
| 169 | M | 58.3 | Low | 75.3 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | trans | -88.8 | 147.4 | 166.7 | -63.4 | -163.4 | 87.1 | 0 | 0 | 111.6 | L165 Q166 N167 | L165-M169 HydrophobicContact CD1-CB 4.27Å; L165-M169 WeakPolarHBondContact CD1-O 3.37Å; L165-M169 WeakPolarHBondContact CD2-O 3.19Å; L165-M169 WeakPolarHBondContact CG-O 3.48Å; Q166-M169 HydrophobicContact CB-CG 4Å; Q166-M169 HydrophobicContact CB-SD 4.07Å; Q166-M169 WeakPolarHBondContact O-CB 3.4Å; Q166-M169 PolarHBondContact O-N 3.37Å; Q166-M169 PolarHBondContact OE1-SD 3.13Å; N167-M169 VanDerWaalsContact C-N 3.29Å; N167-M169 PolarHBondContact O-N 3.2Å | ||
| 170 | M | 62 | Low | 75.5 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | trans | -116.5 | 142.8 | 169.2 | -57.6 | -177.6 | 86.8 | 0 | 0 | 110 | N190 Y191 | M170-N190 HydrophobicContact CB-CB 3.81Å; M170-N190 HydrophobicContact CE-CB 4.05Å; M170-N190 VanDerWaalsContact CE-O 3.29Å; M170-N190 WeakPolarHBondContact CE-O 3.35Å; M170-N190 HydrophobicContact CG-CB 4.45Å; M170-N190 HydrophobicContact SD-CB 3.82Å; M170-Y191 CarbonylContact C-O 3.34Å; M170-Y191 WeakPolarHBondContact CA-O 3.32Å; M170-Y191 WeakPolarHBondContact CB-O 3.38Å | ||
| 171 | A | 53.8 | Low | 76.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 150 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I128 L165 N190 Y191 | I128-A171 HydrophobicContact CD1-CB 4.45Å; L165-A171 HydrophobicContact CD1-CB 4.21Å; A171-N190 CarbonylContact O-C 3.56Å; A171-N190 VanDerWaalsContact O-CA 3.32Å; A171-N190 WeakPolarHBondContact O-CA 3.42Å; A171-Y191 HydrophobicContact CB-CD2 4.12Å; A171-Y191 HydrophobicContact CB-CE1 4.13Å; A171-Y191 HydrophobicContact CB-CE2 3.59Å; A171-Y191 PolarHBondContact N-O 3.06Å; A171-Y191 WeakPolarHBondContact O-CD1 3.31Å; A171-Y191 PolarHBondContact O-N 3.08Å |
| 172 | A | 59.4 | Low | 76.7 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | trans | -128.6 | 8.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L174 | A172-L174 PolarHBondContact O-N 2.77Š| ||
| 173 | T | 69.9 | Low | 76.9 | Confident | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | trans | -79.9 | 116.1 | -179.8 | -48.1 | 0 | 0 | 0 | 0 | 109.6 | C175 Y191 | T173-C175 PolarHBondContact O-N 2.95Å; T173-Y191 WeakPolarHBondContact O-CE1 3.35Å; T173-Y191 PolarHBondContact O-OH 3.11Å | ||
| 174 | L | 74.3 | Confident | 77.2 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 20% | 0.204 | 25% | 0.25 | C | C | . | . | trans | -66.6 | 115.5 | 171.1 | 177.8 | 66 | 0 | 0 | 0 | 109.7 | A172 M181 V185 L966 M969 | A172-L174 PolarHBondContact O-N 2.77Å; L174-M181 HydrophobicContact CD1-CE 4.29Å; L174-M181 HydrophobicContact CD1-SD 4.16Å; L174-V185 WeakPolarHBondContact CD1-O 3.3Å; L174-L966 HydrophobicContact CD1-CD2 4.31Å; L174-L966 HydrophobicContact CD2-CD2 3.77Å; L174-L966 HydrophobicContact CD2-CG 3.94Å; L174-M969 HydrophobicContact CD1-CE 4.47Å; L174-M969 HydrophobicContact CD2-CE 4.09Å; L174-M969 HydrophobicContact CG-CE 3.91Å | ||
| 175 | C | 76.4 | Confident | 77.5 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | trans | -162.7 | 161.2 | 178.2 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | R130 F161 T173 | R130-C175 PolarHBondContact NH1-SG 3.12Å; F161-C175 HydrophobicContact CD1-CB 3.76Å; F161-C175 HydrophobicContact CE1-CB 4.1Å; F161-C175 HydrophobicContact CG-CB 4.48Å; T173-C175 PolarHBondContact O-N 2.95Å | ||
| 176 | G | 80.9 | Confident | 77.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 104 | -166.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R130 D131 M181 | R130-G176 WeakPolarHBondContact O-CA 3.21Å; D131-G176 VanDerWaalsContact OD1-CA 3.26Å; D131-G176 WeakPolarHBondContact OD1-CA 3.26Å; G176-M181 VanDerWaalsContact C-CE 3.44Å; G176-M181 WeakPolarHBondContact O-CE 3.15Å |
| 177 | S | 85.1 | Confident | 78.8 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | trans | -110.8 | 117.6 | -171.3 | -57.9 | 0 | 0 | 0 | 0 | 112 | D131 K133 M179 Y180 M181 | D131-S177 WeakPolarHBondContact OD1-CB 2.88Å; D131-S177 PolarHBondContact OD1-N 3.17Å; D131-S177 PolarHBondContact OD1-OG 2.81Å; K133-S177 WeakPolarHBondContact CD-OG 3.31Å; K133-S177 PolarHBondContact NZ-OG 3.05Å; K133-S177 VanDerWaalsContact NZ-OG 3.12Å; S177-M179 PolarHBondContact O-N 3.16Å; S177-M179 VanDerWaalsContact O-N 3.14Å; S177-Y180 CarbonylContact O-C 3.57Å; S177-Y180 WeakPolarHBondContact O-CA 3.42Å; S177-Y180 PolarHBondContact O-N 3.02Å; S177-M181 PolarHBondContact O-N 3.09Å | ||
| 178 | P | 86.9 | Confident | 80 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -52.1 | -41.7 | -161.8 | -34.9 | 37.2 | 0 | 0 | 0 | 118.1 | Y180 M181 I186 P219 L222 F970 | P178-Y180 PolarHBondContact O-N 3.36Å; P178-Y180 VanDerWaalsContact O-N 3.13Å; P178-M181 HydrophobicContact CG-CE 4.26Å; P178-M181 PolarHBondContact O-N 2.76Å; P178-I186 HydrophobicContact CB-CD1 4.05Å; P178-P219 HydrophobicContact CB-CB 3.9Å; P178-P219 HydrophobicContact CB-CG 4.04Å; P178-P219 HydrophobicContact CG-CB 3.72Å; P178-P219 HydrophobicContact CG-CG 3.73Å; P178-L222 HydrophobicContact CB-CD2 4.19Å; P178-L222 WeakPolarHBondContact O-CD2 3.4Å; P178-F970 HydrophobicContact CG-CD1 4.11Å; P178-F970 HydrophobicContact CG-CD2 4.22Å; P178-F970 HydrophobicContact CG-CE1 3.38Å; P178-F970 HydrophobicContact CG-CE2 3.47Å; P178-F970 VanDerWaalsContact CG-CE2 3.47Å; P178-F970 HydrophobicContact CG-CZ 3.02Å |
| 179 | M | 91 | Very high | 81.3 | Confident | 87 Ų | 87 | 28 Ų | 28 | 43% | 0.429 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -64 | -17.9 | 179.9 | -62.4 | -172.1 | -63.9 | 0 | 0 | 113 | S177 A212 | S177-M179 PolarHBondContact O-N 3.16Å; S177-M179 VanDerWaalsContact O-N 3.14Å; M179-A212 HydrophobicContact CB-CB 4.25Å; M179-A212 HydrophobicContact SD-CB 4.33Å |
| 180 | Y | 95.9 | Very high | 82.3 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -114.3 | -7.3 | -179.9 | -43.3 | -82 | 0 | 0 | 0 | 112.3 | L132 K133 P134 S177 P178 S199 T202 I203 Q206 | L132-Y180 WeakPolarHBondContact O-CB 3.41Å; K133-Y180 HydrophobicContact CB-CD1 4.32Å; K133-Y180 HydrophobicContact CB-CD2 3.56Å; K133-Y180 HydrophobicContact CB-CE2 3.79Å; K133-Y180 HydrophobicContact CB-CG 3.85Å; P134-Y180 VanDerWaalsContact CD-CZ 3.43Å; P134-Y180 HydrophobicContact CG-CE1 3.97Å; S177-Y180 CarbonylContact O-C 3.57Å; S177-Y180 WeakPolarHBondContact O-CA 3.42Å; S177-Y180 PolarHBondContact O-N 3.02Å; P178-Y180 PolarHBondContact O-N 3.36Å; P178-Y180 VanDerWaalsContact O-N 3.13Å; Y180-S199 WeakPolarHBondContact O-CA 3.31Å; Y180-S199 WeakPolarHBondContact O-CB 3.34Å; Y180-S199 PolarHBondContact O-OG 3.37Å; Y180-T202 WeakPolarHBondContact CD1-OG1 3.33Å; Y180-I203 HydrophobicContact CD1-CG1 4.34Å; Y180-Q206 VanDerWaalsContact CE1-OE1 3.3Å; Y180-Q206 PolarHBondContact OH-OE1 3.08Å |
| 181 | M | 94.8 | Very high | 83.3 | Confident | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.034 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -66.1 | 138.2 | 173 | -74.8 | -174.3 | -169.9 | 0 | 0 | 110.5 | L174 G176 S177 P178 V185 I186 W198 M969 F970 | L174-M181 HydrophobicContact CD1-CE 4.29Å; L174-M181 HydrophobicContact CD1-SD 4.16Å; G176-M181 VanDerWaalsContact C-CE 3.44Å; G176-M181 WeakPolarHBondContact O-CE 3.15Å; S177-M181 PolarHBondContact O-N 3.09Å; P178-M181 HydrophobicContact CG-CE 4.26Å; P178-M181 PolarHBondContact O-N 2.76Å; M181-V185 HydrophobicContact CG-CG1 4.35Å; M181-V185 HydrophobicContact SD-CG1 4.22Å; M181-I186 HydrophobicContact CB-CB 4.23Å; M181-I186 HydrophobicContact SD-CB 3.75Å; M181-I186 HydrophobicContact SD-CD1 4.29Å; M181-I186 HydrophobicContact SD-CG1 3.96Å; M181-W198 PolarHBondContact O-NE1 2.8Å; M181-M969 HydrophobicContact CE-CE 4.13Å; M181-F970 HydrophobicContact CE-CZ 4.32Å |
| 182 | A | 96.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | trans | -67.3 | 149.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E184 V185 I186 A195 W198 | A182-E184 VanDerWaalsContact C-N 3.28Å; A182-E184 VanDerWaalsContact CB-CD 3.48Å; A182-E184 HydrophobicContact CB-CG 4.48Å; A182-E184 WeakPolarHBondContact CB-OE1 3.38Å; A182-E184 PolarHBondContact O-N 2.7Å; A182-V185 HydrophobicContact CB-CG2 4.11Å; A182-V185 WeakPolarHBondContact O-CB 3.22Å; A182-V185 PolarHBondContact O-N 3.33Å; A182-I186 PolarHBondContact O-N 2.96Å; A182-A195 HydrophobicContact CB-CB 4.14Å; A182-W198 HydrophobicContact CB-CB 3.77Å; A182-W198 HydrophobicContact CB-CD2 4.39Å; A182-W198 HydrophobicContact CB-CG 3.74Å | ||
| 183 | P | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.6 | -40.8 | -176.2 | -30.7 | 40 | 0 | 0 | 0 | 113.3 | V185 I186 M187 W198 Y226 L232 R254 | P183-V185 VanDerWaalsContact C-N 3.31Å; P183-V185 PolarHBondContact O-N 2.9Å; P183-I186 PolarHBondContact O-N 2.97Å; P183-M187 VanDerWaalsContact C-CE 3.44Å; P183-M187 HydrophobicContact CB-CE 3.81Å; P183-M187 VanDerWaalsContact O-CB 3.22Å; P183-M187 WeakPolarHBondContact O-CB 3.17Å; P183-M187 VanDerWaalsContact O-CE 3.23Å; P183-M187 WeakPolarHBondContact O-CE 3.19Å; P183-M187 WeakPolarHBondContact O-CG 3.33Å; P183-M187 PolarHBondContact O-N 2.79Å; P183-W198 HydrophobicContact CG-CE3 4.3Å; P183-W198 HydrophobicContact CG-CH2 3.57Å; P183-W198 HydrophobicContact CG-CZ2 3.81Å; P183-W198 HydrophobicContact CG-CZ3 3.83Å; P183-Y226 HydrophobicContact CB-CD2 3.97Å; P183-Y226 HydrophobicContact CB-CG 4.04Å; P183-Y226 HydrophobicContact CG-CD1 4.28Å; P183-Y226 HydrophobicContact CG-CD2 4.08Å; P183-Y226 HydrophobicContact CG-CE1 4.41Å; P183-Y226 HydrophobicContact CG-CE2 4.2Å; P183-Y226 HydrophobicContact CG-CG 4.13Å; P183-L232 HydrophobicContact CG-CD1 4.13Å; P183-R254 HydrophobicContact CB-CG 4Å; P183-R254 HydrophobicContact CG-CG 4.16Å |
| 184 | E | 93.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -35.7 | 176.3 | 65.5 | -81.6 | -170.5 | 0 | 0 | 112.9 | A182 S188 Q189 R259 | A182-E184 VanDerWaalsContact C-N 3.28Å; A182-E184 VanDerWaalsContact CB-CD 3.48Å; A182-E184 HydrophobicContact CB-CG 4.48Å; A182-E184 WeakPolarHBondContact CB-OE1 3.38Å; A182-E184 PolarHBondContact O-N 2.7Å; E184-S188 PolarHBondContact O-N 3.16Å; E184-Q189 HydrophobicContact CB-CB 4.21Å; E184-Q189 WeakPolarHBondContact O-CA 3.34Å; E184-Q189 WeakPolarHBondContact O-CB 3.24Å; E184-Q189 PolarHBondContact O-N 3.5Å; E184-R259 IonicContact OE1-CZ 2.68Å; E184-R259 IonicContact OE1-NH1 2.79Å; E184-R259 PolarHBondContact OE1-NH1 3.09Å; E184-R259 IonicContact OE1-NH2 2.68Å; E184-R259 PolarHBondContact OE1-NH2 2.79Å; E184-R259 IonicContact OE2-CZ 2.72Å; E184-R259 IonicContact OE2-NH1 2.8Å; E184-R259 IonicContact OE2-NH2 3.57Å; E184-R259 PolarHBondContact OE2-NH2 3.04Å |
| 185 | V | 91.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.055 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.6 | -52 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | L174 M181 A182 P183 S188 Y191 A195 | L174-V185 WeakPolarHBondContact CD1-O 3.3Å; M181-V185 HydrophobicContact CG-CG1 4.35Å; M181-V185 HydrophobicContact SD-CG1 4.22Å; A182-V185 HydrophobicContact CB-CG2 4.11Å; A182-V185 WeakPolarHBondContact O-CB 3.22Å; A182-V185 PolarHBondContact O-N 3.33Å; P183-V185 VanDerWaalsContact C-N 3.31Å; P183-V185 PolarHBondContact O-N 2.9Å; V185-S188 WeakPolarHBondContact O-CA 3.39Å; V185-S188 PolarHBondContact O-N 3.43Å; V185-Y191 HydrophobicContact CB-CD1 4.32Å; V185-Y191 HydrophobicContact CB-CE1 4.48Å; V185-Y191 HydrophobicContact CG1-CD1 4.48Å; V185-Y191 HydrophobicContact CG1-CE1 4.14Å; V185-Y191 HydrophobicContact CG2-CD1 3.75Å; V185-Y191 HydrophobicContact CG2-CD2 4.03Å; V185-Y191 HydrophobicContact CG2-CE1 4.09Å; V185-Y191 HydrophobicContact CG2-CE2 4.37Å; V185-Y191 HydrophobicContact CG2-CG 3.71Å; V185-A195 HydrophobicContact CG2-CB 3.92Å |
| 186 | I | 88.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.4 | -27.5 | -176.2 | -164.4 | 174.7 | 0 | 0 | 0 | 112.7 | P178 M181 A182 P183 S188 L222 R223 Y226 L966 | P178-I186 HydrophobicContact CB-CD1 4.05Å; M181-I186 HydrophobicContact CB-CB 4.23Å; M181-I186 HydrophobicContact SD-CB 3.75Å; M181-I186 HydrophobicContact SD-CD1 4.29Å; M181-I186 HydrophobicContact SD-CG1 3.96Å; A182-I186 PolarHBondContact O-N 2.96Å; P183-I186 PolarHBondContact O-N 2.97Å; I186-S188 PolarHBondContact O-N 2.89Å; I186-L222 HydrophobicContact CD1-CB 4.46Å; I186-L222 HydrophobicContact CD1-CD2 4.31Å; I186-L222 HydrophobicContact CD1-CG 4.48Å; I186-R223 HydrophobicContact CD1-CB 4.41Å; I186-R223 HydrophobicContact CG1-CB 4.2Å; I186-R223 WeakPolarHBondContact O-CD 3.29Å; I186-Y226 HydrophobicContact CG2-CD2 3.53Å; I186-Y226 HydrophobicContact CG2-CE2 3.86Å; I186-L966 HydrophobicContact CG1-CD2 4.48Å |
| 187 | M | 87.3 | Confident | 90.4 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 7% | 0.069 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 2.2 | 166.7 | -68.4 | -174.1 | -67 | 0 | 0 | 113.3 | P183 Q189 E227 R254 | P183-M187 VanDerWaalsContact C-CE 3.44Å; P183-M187 HydrophobicContact CB-CE 3.81Å; P183-M187 VanDerWaalsContact O-CB 3.22Å; P183-M187 WeakPolarHBondContact O-CB 3.17Å; P183-M187 VanDerWaalsContact O-CE 3.23Å; P183-M187 WeakPolarHBondContact O-CE 3.19Å; P183-M187 WeakPolarHBondContact O-CG 3.33Å; P183-M187 PolarHBondContact O-N 2.79Å; M187-Q189 VanDerWaalsContact C-N 3.28Å; M187-Q189 HydrophobicContact CB-CG 3.95Å; M187-Q189 PolarHBondContact O-N 3.25Å; M187-E227 HydrophobicContact CG-CG 3.72Å; M187-E227 HydrophobicContact SD-CB 4.44Å; M187-E227 HydrophobicContact SD-CG 3.65Å; M187-R254 PolarHBondContact SD-NH2 3.15Å; M187-R254 VanDerWaalsContact SD-NH2 3.44Å |
| 188 | S | 82.2 | Confident | 91.1 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 15% | 0.154 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 36 | -178.9 | -53.6 | 0 | 0 | 0 | 0 | 113.8 | E184 V185 I186 | E184-S188 PolarHBondContact O-N 3.16Å; V185-S188 WeakPolarHBondContact O-CA 3.39Å; V185-S188 PolarHBondContact O-N 3.43Å; I186-S188 PolarHBondContact O-N 2.89Å |
| 189 | Q | 83.6 | Confident | 91.6 | Very high | 90 Ų | 90 | 21.4 Ų | 21.4 | 42% | 0.421 | 11% | 0.113 | S | C | . | . | trans | -92.7 | 168.5 | 175.6 | -57.9 | 176.9 | 1.5 | 0 | 0 | 110.5 | E184 M187 | E184-Q189 HydrophobicContact CB-CB 4.21Å; E184-Q189 WeakPolarHBondContact O-CA 3.34Å; E184-Q189 WeakPolarHBondContact O-CB 3.24Å; E184-Q189 PolarHBondContact O-N 3.5Å; M187-Q189 VanDerWaalsContact C-N 3.28Å; M187-Q189 HydrophobicContact CB-CG 3.95Å; M187-Q189 PolarHBondContact O-N 3.25Å | ||
| 190 | N | 79 | Confident | 92 | Very high | 91 Ų | 91 | 17.4 Ų | 17.4 | 49% | 0.487 | 9% | 0.094 | S | C | . | . | trans | -68.3 | 133.6 | 169.2 | -72.3 | 83.4 | 0 | 0 | 0 | 110.3 | M170 A171 | M170-N190 HydrophobicContact CB-CB 3.81Å; M170-N190 HydrophobicContact CE-CB 4.05Å; M170-N190 VanDerWaalsContact CE-O 3.29Å; M170-N190 WeakPolarHBondContact CE-O 3.35Å; M170-N190 HydrophobicContact CG-CB 4.45Å; M170-N190 HydrophobicContact SD-CB 3.82Å; A171-N190 CarbonylContact O-C 3.56Å; A171-N190 VanDerWaalsContact O-CA 3.32Å; A171-N190 WeakPolarHBondContact O-CA 3.42Å | ||
| 191 | Y | 84.1 | Confident | 92.1 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 157.9 | -178.7 | 63.4 | -94.6 | 0 | 0 | 0 | 112.7 | I128 R130 M170 A171 T173 V185 A195 | I128-Y191 HydrophobicContact CD1-CE2 4.2Å; R130-Y191 VanDerWaalsContact CD-OH 3.29Å; R130-Y191 WeakPolarHBondContact CD-OH 3.46Å; R130-Y191 HydrophobicContact CG-CE2 4.3Å; R130-Y191 PolarHBondContact NH1-OH 3.09Å; M170-Y191 CarbonylContact C-O 3.34Å; M170-Y191 WeakPolarHBondContact CA-O 3.32Å; M170-Y191 WeakPolarHBondContact CB-O 3.38Å; A171-Y191 HydrophobicContact CB-CD2 4.12Å; A171-Y191 HydrophobicContact CB-CE1 4.13Å; A171-Y191 HydrophobicContact CB-CE2 3.59Å; A171-Y191 PolarHBondContact N-O 3.06Å; A171-Y191 WeakPolarHBondContact O-CD1 3.31Å; A171-Y191 PolarHBondContact O-N 3.08Å; T173-Y191 WeakPolarHBondContact O-CE1 3.35Å; T173-Y191 PolarHBondContact O-OH 3.11Å; V185-Y191 HydrophobicContact CB-CD1 4.32Å; V185-Y191 HydrophobicContact CB-CE1 4.48Å; V185-Y191 HydrophobicContact CG1-CD1 4.48Å; V185-Y191 HydrophobicContact CG1-CE1 4.14Å; V185-Y191 HydrophobicContact CG2-CD1 3.75Å; V185-Y191 HydrophobicContact CG2-CD2 4.03Å; V185-Y191 HydrophobicContact CG2-CE1 4.09Å; V185-Y191 HydrophobicContact CG2-CE2 4.37Å; V185-Y191 HydrophobicContact CG2-CG 3.71Å; Y191-A195 HydrophobicContact CD2-CB 4.03Å |
| 192 | D | 87 | Confident | 92.3 | Very high | 39 Ų | 39 | 16.6 Ų | 16.6 | 21% | 0.209 | 9% | 0.09 | C | C | . | . | trans | -117.4 | -164.9 | 179.6 | 61 | 53.8 | 0 | 0 | 0 | 110.9 | L165 K194 A195 H256 | L165-D192 HydrophobicContact CD2-CB 4.4Å; D192-K194 VanDerWaalsContact C-N 3.26Å; D192-K194 PolarHBondContact O-N 2.99Å; D192-K194 WeakPolarHBondContact OD1-CA 3.18Å; D192-K194 WeakPolarHBondContact OD1-CB 3.4Å; D192-K194 WeakPolarHBondContact OD1-CG 3.47Å; D192-K194 PolarHBondContact OD1-N 2.95Å; D192-A195 WeakPolarHBondContact O-CB 3.47Å; D192-A195 PolarHBondContact O-N 3.47Å; D192-H256 IonicContact OD2-CE1 3.66Å; D192-H256 IonicContact OD2-CG 2.7Å; D192-H256 IonicContact OD2-ND1 2.78Å; D192-H256 PolarHBondContact OD2-ND1 3.4Å | ||
| 193 | A | 89.8 | Confident | 92.4 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 21% | 0.207 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I128 A195 D196 F262 | I128-A193 HydrophobicContact CG2-CB 3.51Å; A193-A195 PolarHBondContact O-N 3.03Å; A193-A195 VanDerWaalsContact O-N 3.09Å; A193-D196 PolarHBondContact O-N 3.16Å; A193-D196 VanDerWaalsContact O-N 3.08Å; A193-F262 HydrophobicContact CB-CE2 3.47Å; A193-F262 VanDerWaalsContact CB-CE2 3.47Å; A193-F262 HydrophobicContact CB-CZ 3.84Å; A193-F262 WeakPolarHBondContact O-CZ 3.42Å |
| 194 | K | 95.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 17 Ų | 17 | 17% | 0.165 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.5 | -8.9 | 175.1 | -61.8 | -171.8 | 175.4 | -163.4 | 0 | 113 | D192 D196 L197 W198 H256 R259 | D192-K194 VanDerWaalsContact C-N 3.26Å; D192-K194 PolarHBondContact O-N 2.99Å; D192-K194 WeakPolarHBondContact OD1-CA 3.18Å; D192-K194 WeakPolarHBondContact OD1-CB 3.4Å; D192-K194 WeakPolarHBondContact OD1-CG 3.47Å; D192-K194 PolarHBondContact OD1-N 2.95Å; K194-D196 VanDerWaalsContact C-N 3.34Å; K194-L197 HydrophobicContact CG-CD1 4.3Å; K194-L197 PolarHBondContact O-N 2.93Å; K194-W198 PolarHBondContact O-N 3.41Å; K194-H256 WeakPolarHBondContact CD-O 3.47Å; K194-R259 HydrophobicContact CD-CB 4.48Å; K194-R259 PolarHBondContact NZ-O 2.77Å; K194-R259 WeakPolarHBondContact O-CD 3.36Å; K194-R259 PolarHBondContact O-NH1 3.21Å |
| 195 | A | 96.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 4% | 0.041 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A182 V185 Y191 D192 A193 L197 W198 S199 | A182-A195 HydrophobicContact CB-CB 4.14Å; V185-A195 HydrophobicContact CG2-CB 3.92Å; Y191-A195 HydrophobicContact CD2-CB 4.03Å; D192-A195 WeakPolarHBondContact O-CB 3.47Å; D192-A195 PolarHBondContact O-N 3.47Å; A193-A195 PolarHBondContact O-N 3.03Å; A193-A195 VanDerWaalsContact O-N 3.09Å; A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.43Å; A195-W198 PolarHBondContact O-N 3.04Å; A195-S199 PolarHBondContact O-N 3.12Å; A195-S199 PolarHBondContact O-OG 2.7Å |
| 196 | D | 97.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.4 | -33.7 | 177.1 | -73.2 | -34.3 | 0 | 0 | 0 | 111.7 | M119 I128 H129 R130 L132 A193 K194 S199 I200 | M119-D196 HydrophobicContact CE-CB 3.67Å; I128-D196 WeakPolarHBondContact CA-OD2 3.46Å; H129-D196 PolarHBondContact N-OD2 3.05Å; R130-D196 PolarHBondContact N-OD1 2.9Å; L132-D196 HydrophobicContact CD1-CB 3.77Å; A193-D196 PolarHBondContact O-N 3.16Å; A193-D196 VanDerWaalsContact O-N 3.08Å; K194-D196 VanDerWaalsContact C-N 3.34Å; D196-S199 WeakPolarHBondContact O-CB 3.41Å; D196-S199 PolarHBondContact O-N 3.46Å; D196-I200 WeakPolarHBondContact O-CG1 3.31Å; D196-I200 PolarHBondContact O-N 3.38Å |
| 197 | L | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 174.8 | -67.9 | -179.7 | 0 | 0 | 0 | 112.4 | K194 A195 I200 G201 L251 M260 F262 F265 | K194-L197 HydrophobicContact CG-CD1 4.3Å; K194-L197 PolarHBondContact O-N 2.93Å; A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.43Å; L197-I200 HydrophobicContact CD2-CD1 4.44Å; L197-I200 PolarHBondContact O-N 2.91Å; L197-G201 PolarHBondContact O-N 3.35Å; L197-L251 HydrophobicContact CB-CD2 3.93Å; L197-L251 HydrophobicContact CD2-CD2 4.36Å; L197-M260 VanDerWaalsContact CD1-O 3.3Å; L197-M260 WeakPolarHBondContact CD1-O 3.32Å; L197-F262 HydrophobicContact CD1-CD1 4.28Å; L197-F262 HydrophobicContact CD1-CD2 3.78Å; L197-F262 HydrophobicContact CD1-CE1 4.32Å; L197-F262 HydrophobicContact CD1-CE2 3.8Å; L197-F262 HydrophobicContact CD1-CG 4.03Å; L197-F262 HydrophobicContact CD1-CZ 4.1Å; L197-F262 HydrophobicContact CD2-CD1 3.91Å; L197-F262 HydrophobicContact CD2-CE1 3.71Å; L197-F262 HydrophobicContact CD2-CG 4.47Å; L197-F262 HydrophobicContact CD2-CZ 4.08Å; L197-F262 HydrophobicContact CG-CD1 4.28Å; L197-F262 HydrophobicContact CG-CD2 4.34Å; L197-F262 HydrophobicContact CG-CE1 3.91Å; L197-F262 HydrophobicContact CG-CE2 3.95Å; L197-F262 HydrophobicContact CG-CG 4.49Å; L197-F262 HydrophobicContact CG-CZ 3.73Å; L197-F265 HydrophobicContact CD2-CB 4.21Å; L197-F265 HydrophobicContact CD2-CD1 3.65Å; L197-F265 HydrophobicContact CD2-CE1 4.13Å; L197-F265 HydrophobicContact CD2-CG 3.88Å |
| 198 | W | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 170.3 | 170.2 | -79.4 | 0 | 0 | 0 | 111.3 | M181 A182 P183 K194 A195 I200 G201 T202 F214 Y226 L232 L252 Q253 | M181-W198 PolarHBondContact O-NE1 2.8Å; A182-W198 HydrophobicContact CB-CB 3.77Å; A182-W198 HydrophobicContact CB-CD2 4.39Å; A182-W198 HydrophobicContact CB-CG 3.74Å; P183-W198 HydrophobicContact CG-CE3 4.3Å; P183-W198 HydrophobicContact CG-CH2 3.57Å; P183-W198 HydrophobicContact CG-CZ2 3.81Å; P183-W198 HydrophobicContact CG-CZ3 3.83Å; K194-W198 PolarHBondContact O-N 3.41Å; A195-W198 PolarHBondContact O-N 3.04Å; W198-I200 VanDerWaalsContact C-N 3.27Å; W198-I200 PolarHBondContact O-N 3.38Å; W198-G201 CarbonylContact O-C 3.6Å; W198-G201 WeakPolarHBondContact O-CA 3.18Å; W198-G201 PolarHBondContact O-N 2.67Å; W198-T202 PolarHBondContact O-N 3.45Å; W198-F214 AromaticContact CH2-CD2 3.93Å; W198-F214 HydrophobicContact CH2-CD2 3.93Å; W198-F214 AromaticContact CH2-CE2 3.42Å; W198-F214 HydrophobicContact CH2-CE2 3.42Å; W198-F214 VanDerWaalsContact CH2-CE2 3.42Å; W198-F214 HydrophobicContact CH2-CZ 4.32Å; W198-F214 AromaticContact CZ2-CD2 3.73Å; W198-F214 HydrophobicContact CZ2-CD2 3.73Å; W198-F214 AromaticContact CZ2-CE2 3.65Å; W198-F214 HydrophobicContact CZ2-CE2 3.65Å; W198-F214 HydrophobicContact CZ3-CE2 4.45Å; W198-Y226 HydrophobicContact CH2-CE1 4.44Å; W198-Y226 HydrophobicContact CZ2-CE1 4.2Å; W198-Y226 AromaticContact CZ2-CZ 3.93Å; W198-L232 HydrophobicContact CH2-CD1 3.79Å; W198-L232 HydrophobicContact CZ3-CD1 4.45Å; W198-L252 HydrophobicContact CD2-CD2 4Å; W198-L252 HydrophobicContact CE3-CD2 4.13Å; W198-L252 HydrophobicContact CH2-CD2 4.44Å; W198-L252 HydrophobicContact CZ2-CD2 4.32Å; W198-L252 HydrophobicContact CZ3-CB 4.3Å; W198-L252 HydrophobicContact CZ3-CD2 4.35Å; W198-L252 VanDerWaalsContact CZ3-O 3.28Å; W198-L252 WeakPolarHBondContact CZ3-O 3.45Å; W198-Q253 WeakPolarHBondContact CZ3-O 3.49Å |
| 199 | S | 98.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.4 | -42.1 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | Y180 A195 D196 G201 T202 I203 | Y180-S199 WeakPolarHBondContact O-CA 3.31Å; Y180-S199 WeakPolarHBondContact O-CB 3.34Å; Y180-S199 PolarHBondContact O-OG 3.37Å; A195-S199 PolarHBondContact O-N 3.12Å; A195-S199 PolarHBondContact O-OG 2.7Å; D196-S199 WeakPolarHBondContact O-CB 3.41Å; D196-S199 PolarHBondContact O-N 3.46Å; S199-G201 PolarHBondContact O-N 2.85Å; S199-T202 PolarHBondContact O-N 3.43Å; S199-T202 VanDerWaalsContact O-N 3.16Å; S199-T202 PolarHBondContact O-OG1 3.03Å; S199-I203 WeakPolarHBondContact O-CG1 3.43Å; S199-I203 PolarHBondContact O-N 3.44Å |
| 200 | I | 98.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 172.4 | -68.8 | 163 | 0 | 0 | 0 | 111.3 | L112 I115 M119 L132 D196 L197 W198 T202 I203 V204 L251 F265 | L112-I200 HydrophobicContact CD1-CG2 3.52Å; I115-I200 HydrophobicContact CG2-CD1 3.95Å; I115-I200 HydrophobicContact CG2-CG1 4.07Å; I115-I200 HydrophobicContact CG2-CG2 4.48Å; M119-I200 HydrophobicContact CE-CD1 4.34Å; M119-I200 HydrophobicContact CG-CD1 3.57Å; M119-I200 HydrophobicContact SD-CD1 4.03Å; L132-I200 HydrophobicContact CD1-CD1 4.03Å; L132-I200 HydrophobicContact CD1-CG1 3.9Å; D196-I200 WeakPolarHBondContact O-CG1 3.31Å; D196-I200 PolarHBondContact O-N 3.38Å; L197-I200 HydrophobicContact CD2-CD1 4.44Å; L197-I200 PolarHBondContact O-N 2.91Å; W198-I200 VanDerWaalsContact C-N 3.27Å; W198-I200 PolarHBondContact O-N 3.38Å; I200-T202 VanDerWaalsContact C-N 3.3Å; I200-T202 PolarHBondContact O-N 2.84Å; I200-I203 PolarHBondContact O-N 3.39Å; I200-V204 HydrophobicContact CG2-CG2 4.27Å; I200-V204 VanDerWaalsContact O-CG2 3.28Å; I200-V204 WeakPolarHBondContact O-CG2 3.24Å; I200-V204 PolarHBondContact O-N 2.9Å; I200-L251 HydrophobicContact CG2-CD1 4.38Å; I200-F265 HydrophobicContact CG2-CE2 4.27Å; I200-F265 HydrophobicContact CG2-CZ 4.11Å |
| 201 | G | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.4 | -42 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L197 W198 S199 F205 L248 | L197-G201 PolarHBondContact O-N 3.35Å; W198-G201 CarbonylContact O-C 3.6Å; W198-G201 WeakPolarHBondContact O-CA 3.18Å; W198-G201 PolarHBondContact O-N 2.67Å; S199-G201 PolarHBondContact O-N 2.85Å; G201-F205 WeakPolarHBondContact O-CB 3.49Å; G201-F205 PolarHBondContact O-N 2.93Å; G201-L248 WeakPolarHBondContact O-CD2 3.26Å |
| 202 | T | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -38.3 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | Y180 W198 S199 I200 Q206 P213 L252 | Y180-T202 WeakPolarHBondContact CD1-OG1 3.33Å; W198-T202 PolarHBondContact O-N 3.45Å; S199-T202 PolarHBondContact O-N 3.43Å; S199-T202 VanDerWaalsContact O-N 3.16Å; S199-T202 PolarHBondContact O-OG1 3.03Å; I200-T202 VanDerWaalsContact C-N 3.3Å; I200-T202 PolarHBondContact O-N 2.84Å; T202-Q206 WeakPolarHBondContact O-CB 3.38Å; T202-Q206 PolarHBondContact O-N 3.3Å; T202-P213 HydrophobicContact CG2-CG 3.77Å; T202-L252 HydrophobicContact CG2-CD2 3.64Å |
| 203 | I | 98.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -48.1 | 174.8 | -66.5 | 161.9 | 0 | 0 | 0 | 110.3 | L93 L132 P134 I137 Y180 S199 I200 F205 Q206 C207 | L93-I203 HydrophobicContact CD2-CG2 3.82Å; L132-I203 HydrophobicContact CB-CD1 4.24Å; P134-I203 HydrophobicContact CG-CG1 4.26Å; I137-I203 HydrophobicContact CG1-CD1 4.29Å; Y180-I203 HydrophobicContact CD1-CG1 4.34Å; S199-I203 WeakPolarHBondContact O-CG1 3.43Å; S199-I203 PolarHBondContact O-N 3.44Å; I200-I203 PolarHBondContact O-N 3.39Å; I203-F205 PolarHBondContact O-N 3.42Å; I203-Q206 PolarHBondContact O-N 2.92Å; I203-Q206 VanDerWaalsContact O-N 3.15Å; I203-C207 PolarHBondContact O-N 3.37Å; I203-C207 PolarHBondContact O-SG 2.87Å |
| 204 | V | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 111 | I108 L112 I200 Q206 C207 L208 L244 L248 | I108-V204 HydrophobicContact CG2-CG1 3.84Å; L112-V204 HydrophobicContact CD1-CG2 3.75Å; L112-V204 HydrophobicContact CD2-CG2 3.87Å; L112-V204 HydrophobicContact CG-CG2 4.36Å; I200-V204 HydrophobicContact CG2-CG2 4.27Å; I200-V204 VanDerWaalsContact O-CG2 3.28Å; I200-V204 WeakPolarHBondContact O-CG2 3.24Å; I200-V204 PolarHBondContact O-N 2.9Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.34Å; V204-C207 PolarHBondContact O-N 3.14Å; V204-L208 WeakPolarHBondContact O-CB 3.45Å; V204-L208 PolarHBondContact O-N 3.12Å; V204-L208 VanDerWaalsContact O-N 3.09Å; V204-L244 HydrophobicContact CG1-CD1 3.72Å; V204-L248 HydrophobicContact CB-CD2 3.96Å; V204-L248 HydrophobicContact CG1-CD2 3.72Å; V204-L248 HydrophobicContact CG1-CG 4.22Å |
| 205 | F | 98.5 | Very high | 96.5 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.6 | -175.9 | -81.9 | 0 | 0 | 0 | 111.6 | G201 I203 L208 T209 K211 P213 P234 N235 I236 L248 L252 | G201-F205 WeakPolarHBondContact O-CB 3.49Å; G201-F205 PolarHBondContact O-N 2.93Å; I203-F205 PolarHBondContact O-N 3.42Å; F205-L208 PolarHBondContact O-N 3.38Å; F205-T209 HydrophobicContact CD1-CG2 4.23Å; F205-T209 WeakPolarHBondContact CD1-OG1 3.35Å; F205-T209 HydrophobicContact CE1-CG2 3.79Å; F205-T209 WeakPolarHBondContact CE1-OG1 3.25Å; F205-T209 HydrophobicContact CE2-CG2 4.16Å; F205-T209 HydrophobicContact CZ-CG2 3.76Å; F205-T209 WeakPolarHBondContact O-CB 3.27Å; F205-T209 WeakPolarHBondContact O-CG2 3.39Å; F205-T209 PolarHBondContact O-N 3.45Å; F205-T209 PolarHBondContact O-OG1 3.38Å; F205-K211 VanDerWaalsContact CD1-O 3.26Å; F205-K211 WeakPolarHBondContact CD1-O 2.98Å; F205-K211 WeakPolarHBondContact CE1-O 3.34Å; F205-P213 HydrophobicContact CB-CB 4.32Å; F205-P213 HydrophobicContact CB-CG 4.33Å; F205-P213 HydrophobicContact CD1-CB 3.56Å; F205-P213 HydrophobicContact CD1-CG 4.11Å; F205-P213 HydrophobicContact CD2-CB 4.09Å; F205-P213 VanDerWaalsContact CE1-CA 3.42Å; F205-P213 HydrophobicContact CE1-CB 3.84Å; F205-P213 HydrophobicContact CE2-CB 4.33Å; F205-P213 HydrophobicContact CG-CB 3.71Å; F205-P213 HydrophobicContact CG-CG 4.22Å; F205-P213 HydrophobicContact CZ-CB 4.21Å; F205-P234 HydrophobicContact CD2-CB 4Å; F205-P234 HydrophobicContact CE2-CB 3.79Å; F205-N235 WeakPolarHBondContact CZ-O 3.25Å; F205-I236 HydrophobicContact CD2-CG1 4.08Å; F205-I236 HydrophobicContact CE2-CG1 3.86Å; F205-L248 HydrophobicContact CB-CD2 3.91Å; F205-L248 HydrophobicContact CD2-CD1 4.4Å; F205-L252 HydrophobicContact CB-CD1 4.21Å; F205-L252 HydrophobicContact CD2-CD1 4.39Å |
| 206 | Q | 97.6 | Very high | 96.2 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 14% | 0.14 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.2 | -39.8 | 177.8 | -164.6 | -175.7 | -5.7 | 0 | 0 | 111.7 | L97 Y180 T202 I203 V204 L208 T209 G210 K211 | L97-Q206 HydrophobicContact CD2-CB 4.4Å; L97-Q206 HydrophobicContact CD2-CG 3.69Å; L97-Q206 WeakPolarHBondContact CD2-O 3.2Å; Y180-Q206 VanDerWaalsContact CE1-OE1 3.3Å; Y180-Q206 PolarHBondContact OH-OE1 3.08Å; T202-Q206 WeakPolarHBondContact O-CB 3.38Å; T202-Q206 PolarHBondContact O-N 3.3Å; I203-Q206 PolarHBondContact O-N 2.92Å; I203-Q206 VanDerWaalsContact O-N 3.15Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.34Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 2.97Å; Q206-T209 PolarHBondContact O-N 3.08Å; Q206-G210 VanDerWaalsContact O-CA 3.25Å; Q206-G210 WeakPolarHBondContact O-CA 3.45Å; Q206-G210 PolarHBondContact O-N 2.9Å; Q206-K211 WeakPolarHBondContact CA-O 3.31Å |
| 207 | C | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 172.4 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | T102 L103 I108 I203 V204 | T102-C207 CarbonylContact C-O 3.57Å; T102-C207 WeakPolarHBondContact CA-O 3.37Å; L103-C207 HydrophobicContact CB-CB 4.42Å; L103-C207 HydrophobicContact CD1-CB 4.02Å; L103-C207 HydrophobicContact CG-CB 4.31Å; L103-C207 PolarHBondContact N-O 3.42Å; I108-C207 HydrophobicContact CD1-CB 3.99Å; I108-C207 HydrophobicContact CG1-CB 3.92Å; I203-C207 PolarHBondContact O-N 3.37Å; I203-C207 PolarHBondContact O-SG 2.87Å; V204-C207 PolarHBondContact O-N 3.14Å |
| 208 | L | 97.9 | Very high | 95 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.4 | -34.3 | 179.5 | 179.1 | 64.9 | 0 | 0 | 0 | 113.5 | T102 I108 V204 F205 Q206 I236 T240 L244 L248 | T102-L208 WeakPolarHBondContact CG2-O 3.13Å; I108-L208 HydrophobicContact CD1-CB 4.03Å; I108-L208 HydrophobicContact CD1-CD1 4.41Å; V204-L208 WeakPolarHBondContact O-CB 3.45Å; V204-L208 PolarHBondContact O-N 3.12Å; V204-L208 VanDerWaalsContact O-N 3.09Å; F205-L208 PolarHBondContact O-N 3.38Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 2.97Å; L208-I236 HydrophobicContact CD2-CG2 4.18Å; L208-T240 HydrophobicContact CD1-CG2 4.42Å; L208-T240 HydrophobicContact CD2-CG2 3.71Å; L208-L244 HydrophobicContact CD1-CD2 4.11Å; L208-L244 HydrophobicContact CD2-CD2 4.21Å; L208-L248 HydrophobicContact CD2-CD1 3.67Å |
| 209 | T | 96.4 | Very high | 94.1 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -121.8 | -6.7 | -167 | 66.3 | 0 | 0 | 0 | 0 | 115.4 | F205 Q206 K211 P237 | F205-T209 HydrophobicContact CD1-CG2 4.23Å; F205-T209 WeakPolarHBondContact CD1-OG1 3.35Å; F205-T209 HydrophobicContact CE1-CG2 3.79Å; F205-T209 WeakPolarHBondContact CE1-OG1 3.25Å; F205-T209 HydrophobicContact CE2-CG2 4.16Å; F205-T209 HydrophobicContact CZ-CG2 3.76Å; F205-T209 WeakPolarHBondContact O-CB 3.27Å; F205-T209 WeakPolarHBondContact O-CG2 3.39Å; F205-T209 PolarHBondContact O-N 3.45Å; F205-T209 PolarHBondContact O-OG1 3.38Å; Q206-T209 PolarHBondContact O-N 3.08Å; T209-K211 PolarHBondContact O-N 2.99Å; T209-K211 PolarHBondContact OG1-N 3.42Å; T209-K211 PolarHBondContact OG1-O 3.02Å; T209-K211 VanDerWaalsContact OG1-O 3.06Å; T209-P237 HydrophobicContact CG2-CG 3.96Å |
| 210 | G | 93.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 72.9 | 1.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G101 Q206 | G101-G210 VanDerWaalsContact O-CA 3.24Å; G101-G210 WeakPolarHBondContact O-CA 3.5Å; Q206-G210 VanDerWaalsContact O-CA 3.25Å; Q206-G210 WeakPolarHBondContact O-CA 3.45Å; Q206-G210 PolarHBondContact O-N 2.9Å |
| 211 | K | 92.1 | Very high | 92.8 | Very high | 141 Ų | 141 | 36.9 Ų | 36.9 | 61% | 0.613 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -139.8 | 146.9 | -167.1 | -72.2 | -174.7 | -178.6 | -177.9 | 0 | 112.1 | F205 Q206 T209 | F205-K211 VanDerWaalsContact CD1-O 3.26Å; F205-K211 WeakPolarHBondContact CD1-O 2.98Å; F205-K211 WeakPolarHBondContact CE1-O 3.34Å; Q206-K211 WeakPolarHBondContact CA-O 3.31Å; T209-K211 PolarHBondContact O-N 2.99Å; T209-K211 PolarHBondContact OG1-N 3.42Å; T209-K211 PolarHBondContact OG1-O 3.02Å; T209-K211 VanDerWaalsContact OG1-O 3.06Å |
| 212 | A | 92.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | trans | -65.1 | 144.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M179 F214 Q215 | M179-A212 HydrophobicContact CB-CB 4.25Å; M179-A212 HydrophobicContact SD-CB 4.33Å; A212-F214 VanDerWaalsContact C-N 3.3Å; A212-F214 PolarHBondContact O-N 3.11Å; A212-Q215 HydrophobicContact CB-CG 4.13Å; A212-Q215 PolarHBondContact O-NE2 3.46Å | ||
| 213 | P | 95.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -66.5 | -29.8 | -174.5 | 23.2 | -31.7 | 0 | 0 | 0 | 114 | T202 F205 P234 L252 | T202-P213 HydrophobicContact CG2-CG 3.77Å; F205-P213 HydrophobicContact CB-CB 4.32Å; F205-P213 HydrophobicContact CB-CG 4.33Å; F205-P213 HydrophobicContact CD1-CB 3.56Å; F205-P213 HydrophobicContact CD1-CG 4.11Å; F205-P213 HydrophobicContact CD2-CB 4.09Å; F205-P213 VanDerWaalsContact CE1-CA 3.42Å; F205-P213 HydrophobicContact CE1-CB 3.84Å; F205-P213 HydrophobicContact CE2-CB 4.33Å; F205-P213 HydrophobicContact CG-CB 3.71Å; F205-P213 HydrophobicContact CG-CG 4.22Å; F205-P213 HydrophobicContact CZ-CB 4.21Å; P213-P234 HydrophobicContact CB-CB 4.03Å; P213-L252 HydrophobicContact CB-CD1 4.11Å; P213-L252 HydrophobicContact CG-CD1 4.14Å; P213-L252 HydrophobicContact CG-CD2 4.38Å |
| 214 | F | 94.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.057 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -130.5 | 131.6 | 177.6 | -49.2 | -68.9 | 0 | 0 | 0 | 108.1 | W198 A212 L222 F225 Y226 L232 P234 | W198-F214 AromaticContact CH2-CD2 3.93Å; W198-F214 HydrophobicContact CH2-CD2 3.93Å; W198-F214 AromaticContact CH2-CE2 3.42Å; W198-F214 HydrophobicContact CH2-CE2 3.42Å; W198-F214 VanDerWaalsContact CH2-CE2 3.42Å; W198-F214 HydrophobicContact CH2-CZ 4.32Å; W198-F214 AromaticContact CZ2-CD2 3.73Å; W198-F214 HydrophobicContact CZ2-CD2 3.73Å; W198-F214 AromaticContact CZ2-CE2 3.65Å; W198-F214 HydrophobicContact CZ2-CE2 3.65Å; W198-F214 HydrophobicContact CZ3-CE2 4.45Å; A212-F214 VanDerWaalsContact C-N 3.3Å; A212-F214 PolarHBondContact O-N 3.11Å; F214-L222 HydrophobicContact CB-CD1 4.05Å; F214-F225 HydrophobicContact CB-CE1 4.05Å; F214-F225 AromaticContact CD1-CE1 3.74Å; F214-F225 HydrophobicContact CD1-CE1 3.74Å; F214-F225 HydrophobicContact CD1-CZ 4.04Å; F214-F225 HydrophobicContact CG-CE1 4.1Å; F214-Y226 HydrophobicContact CB-CE1 3.88Å; F214-Y226 AromaticContact CD2-CE1 3.84Å; F214-Y226 HydrophobicContact CD2-CE1 3.84Å; F214-Y226 AromaticContact CG-CE1 3.86Å; F214-Y226 HydrophobicContact CG-CE1 3.86Å; F214-L232 HydrophobicContact CE1-CB 4.07Å; F214-L232 HydrophobicContact CE1-CD2 4.47Å; F214-L232 HydrophobicContact CZ-CB 3.85Å; F214-L232 HydrophobicContact CZ-CD1 4.47Å; F214-P234 HydrophobicContact CZ-CB 4.1Å |
| 215 | Q | 88.8 | Confident | 91.3 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | trans | -138.1 | 142.9 | -174.3 | -68.3 | 173.1 | 37.1 | 0 | 0 | 109 | A212 | A212-Q215 HydrophobicContact CB-CG 4.13Å; A212-Q215 PolarHBondContact O-NE2 3.46Å | ||
| 216 | A | 89.7 | Confident | 91.1 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | trans | -151.3 | 160.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S218 D221 L222 | A216-S218 VanDerWaalsContact C-N 3.25Å; A216-S218 PolarHBondContact O-N 2.88Å; A216-D221 HydrophobicContact CB-CB 3.68Å; A216-L222 HydrophobicContact CB-CB 3.99Å; A216-L222 HydrophobicContact CB-CD1 4.42Å | ||
| 217 | S | 85.8 | Confident | 90.7 | Very high | 123 Ų | 123 | 46.7 Ų | 46.7 | 86% | 0.86 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -63.6 | -28.9 | -175.9 | -51.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 218 | S | 84.1 | Confident | 90.5 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -140.9 | 162.9 | 172.5 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | A216 Q220 D221 L222 | A216-S218 VanDerWaalsContact C-N 3.25Å; A216-S218 PolarHBondContact O-N 2.88Å; S218-Q220 PolarHBondContact O-N 2.9Å; S218-Q220 PolarHBondContact OG-N 2.78Å; S218-D221 WeakPolarHBondContact CB-OD2 3.3Å; S218-D221 PolarHBondContact N-OD2 2.84Å; S218-D221 WeakPolarHBondContact O-CB 3.49Å; S218-D221 PolarHBondContact O-N 3.39Å; S218-D221 VanDerWaalsContact O-N 3.12Å; S218-D221 PolarHBondContact OG-N 3.09Å; S218-D221 PolarHBondContact OG-OD2 2.92Å; S218-L222 PolarHBondContact O-N 3.24Å |
| 219 | P | 80.4 | Confident | 90.2 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -27.1 | 171.2 | -30.5 | 42.4 | 0 | 0 | 0 | 113.9 | P178 L222 R223 F970 | P178-P219 HydrophobicContact CB-CB 3.9Å; P178-P219 HydrophobicContact CB-CG 4.04Å; P178-P219 HydrophobicContact CG-CB 3.72Å; P178-P219 HydrophobicContact CG-CG 3.73Å; P219-L222 PolarHBondContact O-N 2.67Å; P219-R223 WeakPolarHBondContact O-CB 3.44Å; P219-R223 PolarHBondContact O-N 3.41Å; P219-F970 HydrophobicContact CB-CD2 3.62Å; P219-F970 HydrophobicContact CB-CE2 3.75Å; P219-F970 HydrophobicContact CB-CG 4.38Å; P219-F970 HydrophobicContact CG-CB 4.26Å; P219-F970 HydrophobicContact CG-CD1 4.32Å; P219-F970 HydrophobicContact CG-CD2 3.43Å; P219-F970 VanDerWaalsContact CG-CD2 3.43Å; P219-F970 HydrophobicContact CG-CE2 3.92Å; P219-F970 HydrophobicContact CG-CG 3.69Å |
| 220 | Q | 80.9 | Confident | 89.8 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 172 | -176.6 | 59.7 | 27.6 | 0 | 0 | 111.3 | S218 L222 R223 L224 | S218-Q220 PolarHBondContact O-N 2.9Å; S218-Q220 PolarHBondContact OG-N 2.78Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-R223 WeakPolarHBondContact O-CB 3.5Å; Q220-R223 PolarHBondContact O-N 3.39Å; Q220-L224 HydrophobicContact CG-CD1 4.34Å; Q220-L224 WeakPolarHBondContact O-CB 3.31Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.34Å; Q220-L224 PolarHBondContact O-N 3.42Å |
| 221 | D | 89.4 | Confident | 89.6 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 171.6 | -59.8 | -55 | 0 | 0 | 0 | 111.5 | A216 S218 L224 F225 | A216-D221 HydrophobicContact CB-CB 3.68Å; S218-D221 WeakPolarHBondContact CB-OD2 3.3Å; S218-D221 PolarHBondContact N-OD2 2.84Å; S218-D221 WeakPolarHBondContact O-CB 3.49Å; S218-D221 PolarHBondContact O-N 3.39Å; S218-D221 VanDerWaalsContact O-N 3.12Å; S218-D221 PolarHBondContact OG-N 3.09Å; S218-D221 PolarHBondContact OG-OD2 2.92Å; D221-L224 PolarHBondContact O-N 3.42Å; D221-F225 WeakPolarHBondContact O-CB 3.43Å; D221-F225 PolarHBondContact O-N 2.85Å |
| 222 | L | 91.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 175.2 | -172.3 | 62.7 | 0 | 0 | 0 | 111.4 | P178 I186 F214 A216 S218 P219 Q220 F225 Y226 | P178-L222 HydrophobicContact CB-CD2 4.19Å; P178-L222 WeakPolarHBondContact O-CD2 3.4Å; I186-L222 HydrophobicContact CD1-CB 4.46Å; I186-L222 HydrophobicContact CD1-CD2 4.31Å; I186-L222 HydrophobicContact CD1-CG 4.48Å; F214-L222 HydrophobicContact CB-CD1 4.05Å; A216-L222 HydrophobicContact CB-CB 3.99Å; A216-L222 HydrophobicContact CB-CD1 4.42Å; S218-L222 PolarHBondContact O-N 3.24Å; P219-L222 PolarHBondContact O-N 2.67Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; L222-F225 HydrophobicContact CD1-CD1 4.35Å; L222-F225 PolarHBondContact O-N 3.47Å; L222-Y226 HydrophobicContact CD1-CE1 4.1Å; L222-Y226 HydrophobicContact CD1-CE2 4.13Å; L222-Y226 HydrophobicContact CD2-CE2 4.25Å; L222-Y226 HydrophobicContact CG-CD2 4.33Å; L222-Y226 HydrophobicContact CG-CE2 3.82Å; L222-Y226 PolarHBondContact O-N 3.06Å |
| 223 | R | 89.8 | Confident | 89.5 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 171.3 | -178.9 | -176.2 | 163.2 | 152.5 | 5.5 | 111 | I186 P219 Q220 F225 Y226 E227 | I186-R223 HydrophobicContact CD1-CB 4.41Å; I186-R223 HydrophobicContact CG1-CB 4.2Å; I186-R223 WeakPolarHBondContact O-CD 3.29Å; P219-R223 WeakPolarHBondContact O-CB 3.44Å; P219-R223 PolarHBondContact O-N 3.41Å; Q220-R223 WeakPolarHBondContact O-CB 3.5Å; Q220-R223 PolarHBondContact O-N 3.39Å; R223-F225 VanDerWaalsContact C-N 3.34Å; R223-F225 PolarHBondContact O-N 3.42Å; R223-Y226 PolarHBondContact O-N 3.31Å; R223-E227 HydrophobicContact CG-CG 4.48Å; R223-E227 IonicContact CZ-OE1 2.81Å; R223-E227 VanDerWaalsContact CZ-OE1 3.32Å; R223-E227 IonicContact NE-OE1 2.99Å; R223-E227 PolarHBondContact NE-OE1 3.48Å; R223-E227 IonicContact NH2-OE1 2.9Å; R223-E227 PolarHBondContact NH2-OE1 3.41Å; R223-E227 WeakPolarHBondContact O-CG 3.23Å; R223-E227 PolarHBondContact O-N 2.92Å |
| 224 | L | 87.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 179.6 | -70.2 | 168.9 | 0 | 0 | 0 | 112.3 | Q220 D221 E227 K228 | Q220-L224 HydrophobicContact CG-CD1 4.34Å; Q220-L224 WeakPolarHBondContact O-CB 3.31Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.34Å; Q220-L224 PolarHBondContact O-N 3.42Å; D221-L224 PolarHBondContact O-N 3.42Å; L224-E227 PolarHBondContact O-N 3.46Å; L224-K228 VanDerWaalsContact O-CB 3.27Å; L224-K228 WeakPolarHBondContact O-CB 3.43Å; L224-K228 PolarHBondContact O-N 3.15Å |
| 225 | F | 93.4 | Very high | 89.4 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 172.4 | 169.6 | -94.1 | 0 | 0 | 0 | 111.2 | F214 D221 L222 R223 N229 L232 | F214-F225 HydrophobicContact CB-CE1 4.05Å; F214-F225 AromaticContact CD1-CE1 3.74Å; F214-F225 HydrophobicContact CD1-CE1 3.74Å; F214-F225 HydrophobicContact CD1-CZ 4.04Å; F214-F225 HydrophobicContact CG-CE1 4.1Å; D221-F225 WeakPolarHBondContact O-CB 3.43Å; D221-F225 PolarHBondContact O-N 2.85Å; L222-F225 HydrophobicContact CD1-CD1 4.35Å; L222-F225 PolarHBondContact O-N 3.47Å; R223-F225 VanDerWaalsContact C-N 3.34Å; R223-F225 PolarHBondContact O-N 3.42Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.35Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.48Å; F225-N229 WeakPolarHBondContact O-CB 3.42Å; F225-N229 PolarHBondContact O-N 3.2Å; F225-N229 VanDerWaalsContact O-N 3.08Å; F225-N229 PolarHBondContact O-ND2 3.09Å; F225-L232 HydrophobicContact CE1-CD2 3.7Å; F225-L232 HydrophobicContact CZ-CD2 4.01Å |
| 226 | Y | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 174.6 | -69.2 | -27.7 | 0 | 0 | 0 | 111.9 | P183 I186 W198 F214 L222 R223 K228 L232 R254 | P183-Y226 HydrophobicContact CB-CD2 3.97Å; P183-Y226 HydrophobicContact CB-CG 4.04Å; P183-Y226 HydrophobicContact CG-CD1 4.28Å; P183-Y226 HydrophobicContact CG-CD2 4.08Å; P183-Y226 HydrophobicContact CG-CE1 4.41Å; P183-Y226 HydrophobicContact CG-CE2 4.2Å; P183-Y226 HydrophobicContact CG-CG 4.13Å; I186-Y226 HydrophobicContact CG2-CD2 3.53Å; I186-Y226 HydrophobicContact CG2-CE2 3.86Å; W198-Y226 HydrophobicContact CH2-CE1 4.44Å; W198-Y226 HydrophobicContact CZ2-CE1 4.2Å; W198-Y226 AromaticContact CZ2-CZ 3.93Å; F214-Y226 HydrophobicContact CB-CE1 3.88Å; F214-Y226 AromaticContact CD2-CE1 3.84Å; F214-Y226 HydrophobicContact CD2-CE1 3.84Å; F214-Y226 AromaticContact CG-CE1 3.86Å; F214-Y226 HydrophobicContact CG-CE1 3.86Å; L222-Y226 HydrophobicContact CD1-CE1 4.1Å; L222-Y226 HydrophobicContact CD1-CE2 4.13Å; L222-Y226 HydrophobicContact CD2-CE2 4.25Å; L222-Y226 HydrophobicContact CG-CD2 4.33Å; L222-Y226 HydrophobicContact CG-CE2 3.82Å; L222-Y226 PolarHBondContact O-N 3.06Å; R223-Y226 PolarHBondContact O-N 3.31Å; Y226-K228 PolarHBondContact O-N 3.26Å; Y226-L232 HydrophobicContact CD1-CD1 3.54Å; Y226-L232 HydrophobicContact CD1-CD2 4.25Å; Y226-L232 HydrophobicContact CE1-CD1 3.82Å; Y226-R254 PolarHBondContact O-NE 3.46Å; Y226-R254 PolarHBondContact O-NH1 3.12Å; Y226-R254 PolarHBondContact O-NH2 3.41Å |
| 227 | E | 89.8 | Confident | 90 | Very high | 69 Ų | 69 | 67 Ų | 67 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.1 | -50.6 | 177.9 | -76.2 | 176.1 | 178.3 | 0 | 0 | 111 | M187 R223 L224 R254 | M187-E227 HydrophobicContact CG-CG 3.72Å; M187-E227 HydrophobicContact SD-CB 4.44Å; M187-E227 HydrophobicContact SD-CG 3.65Å; R223-E227 HydrophobicContact CG-CG 4.48Å; R223-E227 IonicContact CZ-OE1 2.81Å; R223-E227 VanDerWaalsContact CZ-OE1 3.32Å; R223-E227 IonicContact NE-OE1 2.99Å; R223-E227 PolarHBondContact NE-OE1 3.48Å; R223-E227 IonicContact NH2-OE1 2.9Å; R223-E227 PolarHBondContact NH2-OE1 3.41Å; R223-E227 WeakPolarHBondContact O-CG 3.23Å; R223-E227 PolarHBondContact O-N 2.92Å; L224-E227 PolarHBondContact O-N 3.46Å; E227-R254 PolarHBondContact O-NH1 3.08Å; E227-R254 PolarHBondContact O-NH2 2.74Å; E227-R254 VanDerWaalsContact O-NH2 3.15Å |
| 228 | K | 92.5 | Very high | 90.4 | Very high | 175 Ų | 175 | 72.6 Ų | 72.6 | 76% | 0.761 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | -177.6 | -175 | 174.6 | -179.4 | 176.9 | 0 | 114 | L224 Y226 K230 | L224-K228 VanDerWaalsContact O-CB 3.27Å; L224-K228 WeakPolarHBondContact O-CB 3.43Å; L224-K228 PolarHBondContact O-N 3.15Å; Y226-K228 PolarHBondContact O-N 3.26Å; K228-K230 PolarHBondContact O-N 3.32Å |
| 229 | N | 91.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 79.3 Ų | 79.3 | 32% | 0.316 | 39% | 0.387 | S | S | . | . | trans | -93.2 | 102.6 | -171.1 | -64.3 | -71.2 | 0 | 0 | 0 | 111.1 | F225 L232 R254 | F225-N229 WeakPolarHBondContact CD2-ND2 3.35Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.48Å; F225-N229 WeakPolarHBondContact O-CB 3.42Å; F225-N229 PolarHBondContact O-N 3.2Å; F225-N229 VanDerWaalsContact O-N 3.08Å; F225-N229 PolarHBondContact O-ND2 3.09Å; N229-L232 HydrophobicContact CB-CD2 3.74Å; N229-R254 WeakPolarHBondContact O-CD 3.43Å; N229-R254 PolarHBondContact O-NH1 3.38Å | ||
| 230 | K | 89.3 | Confident | 91.7 | Very high | 170 Ų | 170 | 78.3 Ų | 78.3 | 74% | 0.739 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -68.3 | -37.3 | -177.7 | -71.8 | -172.8 | 177.7 | -178.8 | 0 | 113.6 | K228 R254 | K228-K230 PolarHBondContact O-N 3.32Å; K230-R254 VanDerWaalsContact CA-NH1 3.31Å; K230-R254 WeakPolarHBondContact O-CD 3.47Å |
| 231 | N | 88.3 | Confident | 92.5 | Very high | 151 Ų | 151 | 78 Ų | 78 | 81% | 0.807 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -108.8 | 114.8 | 177.1 | -58.4 | 5.9 | 0 | 0 | 0 | 107.1 | ||
| 232 | L | 91.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 78.8 Ų | 78.8 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | trans | -98.3 | 126 | 177.4 | -65.4 | 178 | 0 | 0 | 0 | 109.3 | P183 W198 F214 F225 Y226 N229 R254 | P183-L232 HydrophobicContact CG-CD1 4.13Å; W198-L232 HydrophobicContact CH2-CD1 3.79Å; W198-L232 HydrophobicContact CZ3-CD1 4.45Å; F214-L232 HydrophobicContact CE1-CB 4.07Å; F214-L232 HydrophobicContact CE1-CD2 4.47Å; F214-L232 HydrophobicContact CZ-CB 3.85Å; F214-L232 HydrophobicContact CZ-CD1 4.47Å; F225-L232 HydrophobicContact CE1-CD2 3.7Å; F225-L232 HydrophobicContact CZ-CD2 4.01Å; Y226-L232 HydrophobicContact CD1-CD1 3.54Å; Y226-L232 HydrophobicContact CD1-CD2 4.25Å; Y226-L232 HydrophobicContact CE1-CD1 3.82Å; N229-L232 HydrophobicContact CB-CD2 3.74Å; L232-R254 HydrophobicContact CB-CB 4.46Å; L232-R254 HydrophobicContact CD1-CB 3.74Å; L232-R254 HydrophobicContact CD1-CG 3.96Å; L232-R254 HydrophobicContact CG-CB 3.95Å; L232-R254 HydrophobicContact CG-CG 4.37Å | ||
| 233 | S | 90.1 | Very high | 93.2 | Very high | 102 Ų | 102 | 83.2 Ų | 83.2 | 71% | 0.713 | 41% | 0.414 | S | S | * | . | trans | -118 | 105.3 | 176.9 | 42.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 234 | P | 93.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 82.2 Ų | 82.2 | 7% | 0.071 | 41% | 0.411 | C | S | . | . | trans | -67.9 | 139.8 | 174.4 | 29.1 | -34.4 | 0 | 0 | 0 | 110.2 | F205 P213 F214 I236 L249 L252 | F205-P234 HydrophobicContact CD2-CB 4Å; F205-P234 HydrophobicContact CE2-CB 3.79Å; P213-P234 HydrophobicContact CB-CB 4.03Å; F214-P234 HydrophobicContact CZ-CB 4.1Å; P234-I236 VanDerWaalsContact C-N 3.28Å; P234-I236 HydrophobicContact CB-CG1 4.35Å; P234-I236 HydrophobicContact CG-CD1 4.07Å; P234-I236 HydrophobicContact CG-CG1 4.15Å; P234-I236 PolarHBondContact O-N 2.97Å; P234-L249 HydrophobicContact CG-CD2 4.08Å; P234-L252 HydrophobicContact CB-CD1 3.86Å; P234-L252 HydrophobicContact CG-CB 4.22Å; P234-L252 HydrophobicContact CG-CD1 3.87Å | ||
| 235 | N | 94.1 | Very high | 94.1 | Very high | 140 Ų | 140 | 81.3 Ų | 81.3 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | trans | -78.6 | 73.7 | -178 | -172.9 | 17.5 | 0 | 0 | 0 | 111.6 | F205 | F205-N235 WeakPolarHBondContact CZ-O 3.25Š| ||
| 236 | I | 96.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 82.4 Ų | 82.4 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | trans | -77 | 123.8 | -178.8 | -57 | 167.9 | 0 | 0 | 0 | 109.3 | F205 L208 P234 T240 R245 L248 L249 | F205-I236 HydrophobicContact CD2-CG1 4.08Å; F205-I236 HydrophobicContact CE2-CG1 3.86Å; L208-I236 HydrophobicContact CD2-CG2 4.18Å; P234-I236 VanDerWaalsContact C-N 3.28Å; P234-I236 HydrophobicContact CB-CG1 4.35Å; P234-I236 HydrophobicContact CG-CD1 4.07Å; P234-I236 HydrophobicContact CG-CG1 4.15Å; P234-I236 PolarHBondContact O-N 2.97Å; I236-T240 HydrophobicContact CG2-CG2 3.77Å; I236-R245 HydrophobicContact CD1-CG 4.01Å; I236-R245 HydrophobicContact CG2-CG 4.29Å; I236-R245 PolarHBondContact O-NH1 3.33Å; I236-R245 VanDerWaalsContact O-NH1 3.12Å; I236-L248 HydrophobicContact CD1-CB 3.64Å; I236-L248 HydrophobicContact CD1-CD1 4.14Å; I236-L248 HydrophobicContact CG1-CB 4.47Å; I236-L248 HydrophobicContact CG1-CD1 4.2Å; I236-L248 HydrophobicContact CG2-CD1 4.34Å; I236-L249 HydrophobicContact CD1-CD2 4.01Å; I236-L249 HydrophobicContact CD1-CG 3.93Å | ||
| 237 | P | 96.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 82.4 Ų | 82.4 | 21% | 0.208 | 41% | 0.411 | C | S | . | . | trans | -49.8 | 154 | 178.6 | -26.4 | 33.8 | 0 | 0 | 0 | 113.4 | T209 E239 T240 R245 | T209-P237 HydrophobicContact CG2-CG 3.96Å; P237-E239 VanDerWaalsContact CB-CD 3.4Å; P237-E239 HydrophobicContact CB-CG 4Å; P237-E239 VanDerWaalsContact CB-OE2 3.29Å; P237-E239 WeakPolarHBondContact CB-OE2 3.31Å; P237-T240 WeakPolarHBondContact O-CB 3.37Å; P237-T240 PolarHBondContact O-N 3.45Å; P237-T240 PolarHBondContact O-OG1 3.13Å; P237-R245 VanDerWaalsContact O-CZ 3.31Å; P237-R245 PolarHBondContact O-NH1 2.91Å; P237-R245 PolarHBondContact O-NH2 3.34Å | ||
| 238 | R | 94.2 | Very high | 94.9 | Very high | 239 Ų | 239 | 79.1 Ų | 79.1 | 90% | 0.902 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -31.8 | -173.1 | -68.3 | -174.3 | 177.6 | -168.4 | -0.5 | 112.5 | T240 R245 | R238-T240 VanDerWaalsContact C-N 3.26Å; R238-T240 PolarHBondContact O-N 2.91Å; R238-R245 PolarHBondContact O-NH2 3.49Å; R238-R245 VanDerWaalsContact O-NH2 3.08Å |
| 239 | E | 95.1 | Very high | 95.2 | Very high | 162 Ų | 162 | 74.1 Ų | 74.1 | 76% | 0.757 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.9 | 176.4 | 57.5 | -92.2 | -135.2 | 0 | 0 | 114.1 | P237 | P237-E239 VanDerWaalsContact CB-CD 3.4Å; P237-E239 HydrophobicContact CB-CG 4Å; P237-E239 VanDerWaalsContact CB-OE2 3.29Å; P237-E239 WeakPolarHBondContact CB-OE2 3.31Å |
| 240 | T | 97.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -63.3 | 133.6 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | E105 L208 I236 P237 R238 L244 R245 | E105-T240 WeakPolarHBondContact OE1-CA 3.34Å; L208-T240 HydrophobicContact CD1-CG2 4.42Å; L208-T240 HydrophobicContact CD2-CG2 3.71Å; I236-T240 HydrophobicContact CG2-CG2 3.77Å; P237-T240 WeakPolarHBondContact O-CB 3.37Å; P237-T240 PolarHBondContact O-N 3.45Å; P237-T240 PolarHBondContact O-OG1 3.13Å; R238-T240 VanDerWaalsContact C-N 3.26Å; R238-T240 PolarHBondContact O-N 2.91Å; T240-L244 HydrophobicContact CG2-CB 3.87Å; T240-L244 HydrophobicContact CG2-CD2 3.99Å; T240-L244 HydrophobicContact CG2-CG 3.88Å; T240-R245 PolarHBondContact O-NH2 2.9Å |
| 241 | S | 97.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 64 Ų | 64 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | trans | -58.5 | 154.3 | -177.3 | 75.5 | 0 | 0 | 0 | 0 | 113 | E105 H243 L244 R245 | E105-S241 PolarHBondContact OE1-N 2.88Å; E105-S241 WeakPolarHBondContact OE2-CB 3.43Å; E105-S241 PolarHBondContact OE2-OG 3.49Å; S241-H243 VanDerWaalsContact C-N 3.26Å; S241-H243 PolarHBondContact O-N 3.12Å; S241-L244 PolarHBondContact O-N 3.38Å; S241-L244 WeakPolarHBondContact OG-CB 3.4Å; S241-L244 PolarHBondContact OG-N 3.01Å; S241-L244 VanDerWaalsContact OG-N 3.17Å; S241-R245 VanDerWaalsContact O-CB 3.24Å; S241-R245 WeakPolarHBondContact O-CB 3.35Å; S241-R245 PolarHBondContact O-N 3.4Å | ||
| 242 | S | 97.2 | Very high | 96.3 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 60% | 0.601 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.3 | -42 | 176.7 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | N246 | S242-N246 VanDerWaalsContact O-CB 3.24Å; S242-N246 WeakPolarHBondContact O-CB 3.11Å; S242-N246 PolarHBondContact O-N 3.26Å |
| 243 | H | 97.3 | Very high | 96.6 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.8 | -47.7 | 179.6 | -58.4 | 112.9 | 0 | 0 | 0 | 112.3 | S241 R245 N246 L247 H268 F270 | S241-H243 VanDerWaalsContact C-N 3.26Å; S241-H243 PolarHBondContact O-N 3.12Å; H243-R245 VanDerWaalsContact C-N 3.33Å; H243-R245 PolarHBondContact O-N 3.1Å; H243-N246 PolarHBondContact O-N 3.4Å; H243-L247 WeakPolarHBondContact O-CB 3.5Å; H243-L247 PolarHBondContact O-N 3.37Å; H243-H268 PolarHBondContact O-CE1 3.27Å; H243-H268 VanDerWaalsContact O-CE1 3.28Å; H243-F270 HydrophobicContact CB-CB 4.05Å; H243-F270 HydrophobicContact CB-CD2 4.27Å |
| 244 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 177.9 | -176.1 | 52.8 | 0 | 0 | 0 | 111.8 | E105 I108 V204 L208 T240 S241 L247 L248 F270 | E105-L244 HydrophobicContact CB-CD2 4.33Å; E105-L244 HydrophobicContact CG-CD2 3.6Å; I108-L244 HydrophobicContact CD1-CD2 4.45Å; I108-L244 HydrophobicContact CG2-CD1 4.44Å; V204-L244 HydrophobicContact CG1-CD1 3.72Å; L208-L244 HydrophobicContact CD1-CD2 4.11Å; L208-L244 HydrophobicContact CD2-CD2 4.21Å; T240-L244 HydrophobicContact CG2-CB 3.87Å; T240-L244 HydrophobicContact CG2-CD2 3.99Å; T240-L244 HydrophobicContact CG2-CG 3.88Å; S241-L244 PolarHBondContact O-N 3.38Å; S241-L244 WeakPolarHBondContact OG-CB 3.4Å; S241-L244 PolarHBondContact OG-N 3.01Å; S241-L244 VanDerWaalsContact OG-N 3.17Å; L244-L247 HydrophobicContact CD1-CD2 4.13Å; L244-L248 HydrophobicContact CD1-CD1 4.33Å; L244-L248 HydrophobicContact CD1-CG 4.28Å; L244-L248 HydrophobicContact CG-CD1 4.21Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.35Å; L244-L248 PolarHBondContact O-N 3.15Å; L244-F270 HydrophobicContact CB-CD2 3.81Å; L244-F270 HydrophobicContact CB-CE2 3.68Å; L244-F270 HydrophobicContact CB-CZ 4.3Å; L244-F270 HydrophobicContact CD1-CD1 4.24Å; L244-F270 HydrophobicContact CD1-CD2 4.4Å; L244-F270 HydrophobicContact CD1-CE1 3.93Å; L244-F270 HydrophobicContact CD1-CE2 4.1Å; L244-F270 HydrophobicContact CD1-CG 4.47Å; L244-F270 HydrophobicContact CD1-CZ 3.85Å; L244-F270 HydrophobicContact CD2-CE2 4.19Å; L244-F270 HydrophobicContact CD2-CZ 4.13Å; L244-F270 HydrophobicContact CG-CE2 4.2Å; L244-F270 HydrophobicContact CG-CZ 4.31Å |
| 245 | R | 98.2 | Very high | 96.9 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 173.7 | -171.8 | -174.7 | -51.4 | -75.5 | -10.6 | 112 | I236 P237 R238 T240 S241 H243 L248 L249 | I236-R245 HydrophobicContact CD1-CG 4.01Å; I236-R245 HydrophobicContact CG2-CG 4.29Å; I236-R245 PolarHBondContact O-NH1 3.33Å; I236-R245 VanDerWaalsContact O-NH1 3.12Å; P237-R245 VanDerWaalsContact O-CZ 3.31Å; P237-R245 PolarHBondContact O-NH1 2.91Å; P237-R245 PolarHBondContact O-NH2 3.34Å; R238-R245 PolarHBondContact O-NH2 3.49Å; R238-R245 VanDerWaalsContact O-NH2 3.08Å; T240-R245 PolarHBondContact O-NH2 2.9Å; S241-R245 VanDerWaalsContact O-CB 3.24Å; S241-R245 WeakPolarHBondContact O-CB 3.35Å; S241-R245 PolarHBondContact O-N 3.4Å; H243-R245 VanDerWaalsContact C-N 3.33Å; H243-R245 PolarHBondContact O-N 3.1Å; R245-L248 PolarHBondContact O-N 2.88Å; R245-L249 HydrophobicContact CG-CD1 3.98Å; R245-L249 HydrophobicContact CG-CG 4.47Å; R245-L249 WeakPolarHBondContact O-CB 3.45Å; R245-L249 VanDerWaalsContact O-CG 3.26Å; R245-L249 WeakPolarHBondContact O-CG 3.42Å; R245-L249 PolarHBondContact O-N 3.36Å |
| 246 | N | 97.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 178.3 | 178.1 | -109.3 | 0 | 0 | 0 | 111.5 | S242 H243 L248 L249 G250 H268 | S242-N246 VanDerWaalsContact O-CB 3.24Å; S242-N246 WeakPolarHBondContact O-CB 3.11Å; S242-N246 PolarHBondContact O-N 3.26Å; H243-N246 PolarHBondContact O-N 3.4Å; N246-L248 PolarHBondContact O-N 2.97Å; N246-L249 PolarHBondContact O-N 3.05Å; N246-G250 PolarHBondContact O-N 2.64Å; N246-H268 PolarHBondContact OD1-NE2 2.91Å |
| 247 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.8 | -52.4 | 173 | 177.5 | 62.7 | 0 | 0 | 0 | 112.3 | L112 H243 L244 L249 G250 L251 M260 F265 H268 F270 | L112-L247 HydrophobicContact CD2-CD2 3.58Å; H243-L247 WeakPolarHBondContact O-CB 3.5Å; H243-L247 PolarHBondContact O-N 3.37Å; L244-L247 HydrophobicContact CD1-CD2 4.13Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 2.98Å; L247-G250 PolarHBondContact O-N 2.85Å; L247-G250 VanDerWaalsContact O-N 3.15Å; L247-L251 HydrophobicContact CD1-CD1 3.74Å; L247-L251 HydrophobicContact CD1-CG 4.08Å; L247-L251 HydrophobicContact CG-CD1 3.97Å; L247-L251 WeakPolarHBondContact O-CG 3.34Å; L247-L251 PolarHBondContact O-N 3.13Å; L247-M260 HydrophobicContact CD1-CE 4.29Å; L247-M260 HydrophobicContact CD1-SD 3.86Å; L247-F265 HydrophobicContact CD1-CD2 4.05Å; L247-F265 HydrophobicContact CD1-CE2 4.39Å; L247-H268 HydrophobicContact CD1-CB 4.31Å; L247-F270 HydrophobicContact CD2-CB 4.14Å; L247-F270 HydrophobicContact CD2-CD1 3.62Å; L247-F270 HydrophobicContact CD2-CE1 4.4Å; L247-F270 HydrophobicContact CD2-CG 4.1Å |
| 248 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 179.8 | -79.9 | 173.7 | 0 | 0 | 0 | 112.4 | G201 V204 F205 L208 I236 L244 R245 N246 L252 | G201-L248 WeakPolarHBondContact O-CD2 3.26Å; V204-L248 HydrophobicContact CB-CD2 3.96Å; V204-L248 HydrophobicContact CG1-CD2 3.72Å; V204-L248 HydrophobicContact CG1-CG 4.22Å; F205-L248 HydrophobicContact CB-CD2 3.91Å; F205-L248 HydrophobicContact CD2-CD1 4.4Å; L208-L248 HydrophobicContact CD2-CD1 3.67Å; I236-L248 HydrophobicContact CD1-CB 3.64Å; I236-L248 HydrophobicContact CD1-CD1 4.14Å; I236-L248 HydrophobicContact CG1-CB 4.47Å; I236-L248 HydrophobicContact CG1-CD1 4.2Å; I236-L248 HydrophobicContact CG2-CD1 4.34Å; L244-L248 HydrophobicContact CD1-CD1 4.33Å; L244-L248 HydrophobicContact CD1-CG 4.28Å; L244-L248 HydrophobicContact CG-CD1 4.21Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 WeakPolarHBondContact O-CG 3.35Å; L244-L248 PolarHBondContact O-N 3.15Å; R245-L248 PolarHBondContact O-N 2.88Å; N246-L248 PolarHBondContact O-N 2.97Å; L248-L252 HydrophobicContact CD2-CD1 4.33Å; L248-L252 VanDerWaalsContact O-CB 3.24Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 3.39Å |
| 249 | L | 97.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.5 | -27.2 | 176.1 | -69.2 | 173.8 | 0 | 0 | 0 | 112.9 | P234 I236 R245 N246 L247 Q253 | P234-L249 HydrophobicContact CG-CD2 4.08Å; I236-L249 HydrophobicContact CD1-CD2 4.01Å; I236-L249 HydrophobicContact CD1-CG 3.93Å; R245-L249 HydrophobicContact CG-CD1 3.98Å; R245-L249 HydrophobicContact CG-CG 4.47Å; R245-L249 WeakPolarHBondContact O-CB 3.45Å; R245-L249 VanDerWaalsContact O-CG 3.26Å; R245-L249 WeakPolarHBondContact O-CG 3.42Å; R245-L249 PolarHBondContact O-N 3.36Å; N246-L249 PolarHBondContact O-N 3.05Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 2.98Å; L249-Q253 WeakPolarHBondContact O-CG 3.48Å; L249-Q253 PolarHBondContact O-NE2 3.26Å |
| 250 | G | 97.7 | Very high | 96.9 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.2 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N246 L247 R259 M260 | N246-G250 PolarHBondContact O-N 2.64Å; L247-G250 PolarHBondContact O-N 2.85Å; L247-G250 VanDerWaalsContact O-N 3.15Å; G250-R259 WeakPolarHBondContact O-CG 3.32Å; G250-M260 WeakPolarHBondContact O-CB 3.38Å; G250-M260 PolarHBondContact O-N 3.11Å |
| 251 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.9 | -35.3 | 179.8 | -64.3 | 173.8 | 0 | 0 | 0 | 113 | L197 I200 L247 Q253 R259 M260 F265 | L197-L251 HydrophobicContact CB-CD2 3.93Å; L197-L251 HydrophobicContact CD2-CD2 4.36Å; I200-L251 HydrophobicContact CG2-CD1 4.38Å; L247-L251 HydrophobicContact CD1-CD1 3.74Å; L247-L251 HydrophobicContact CD1-CG 4.08Å; L247-L251 HydrophobicContact CG-CD1 3.97Å; L247-L251 WeakPolarHBondContact O-CG 3.34Å; L247-L251 PolarHBondContact O-N 3.13Å; L251-Q253 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 3.23Å; L251-R259 VanDerWaalsContact O-CD 3.22Å; L251-R259 WeakPolarHBondContact O-CD 3.41Å; L251-R259 WeakPolarHBondContact O-CG 3.21Å; L251-M260 HydrophobicContact CD2-CB 4.35Å; L251-M260 HydrophobicContact CD2-CG 4.42Å; L251-M260 HydrophobicContact CD2-SD 3.92Å; L251-M260 HydrophobicContact CG-SD 4.19Å; L251-F265 HydrophobicContact CD1-CD2 4.41Å; L251-F265 HydrophobicContact CD1-CE2 4.34Å; L251-F265 HydrophobicContact CD2-CD2 4.01Å |
| 252 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 31.4 | -176.2 | -63.3 | 174.6 | 0 | 0 | 0 | 114.1 | W198 T202 F205 P213 P234 L248 | W198-L252 HydrophobicContact CD2-CD2 4Å; W198-L252 HydrophobicContact CE3-CD2 4.13Å; W198-L252 HydrophobicContact CH2-CD2 4.44Å; W198-L252 HydrophobicContact CZ2-CD2 4.32Å; W198-L252 HydrophobicContact CZ3-CB 4.3Å; W198-L252 HydrophobicContact CZ3-CD2 4.35Å; W198-L252 VanDerWaalsContact CZ3-O 3.28Å; W198-L252 WeakPolarHBondContact CZ3-O 3.45Å; T202-L252 HydrophobicContact CG2-CD2 3.64Å; F205-L252 HydrophobicContact CB-CD1 4.21Å; F205-L252 HydrophobicContact CD2-CD1 4.39Å; P213-L252 HydrophobicContact CB-CD1 4.11Å; P213-L252 HydrophobicContact CG-CD1 4.14Å; P213-L252 HydrophobicContact CG-CD2 4.38Å; P234-L252 HydrophobicContact CB-CD1 3.86Å; P234-L252 HydrophobicContact CG-CB 4.22Å; P234-L252 HydrophobicContact CG-CD1 3.87Å; L248-L252 HydrophobicContact CD2-CD1 4.33Å; L248-L252 VanDerWaalsContact O-CB 3.24Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 3.39Å |
| 253 | Q | 97.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | trans | -74.8 | 131.1 | 170.2 | -69 | -62.3 | -25.1 | 0 | 0 | 111.8 | W198 L249 L251 N255 R259 | W198-Q253 WeakPolarHBondContact CZ3-O 3.49Å; L249-Q253 WeakPolarHBondContact O-CG 3.48Å; L249-Q253 PolarHBondContact O-NE2 3.26Å; L251-Q253 VanDerWaalsContact C-N 3.33Å; L251-Q253 PolarHBondContact O-N 3.23Å; Q253-N255 PolarHBondContact O-N 3.23Å; Q253-R259 HydrophobicContact CB-CB 3.87Å; Q253-R259 HydrophobicContact CB-CG 4.21Å; Q253-R259 PolarHBondContact O-NE 3.31Å; Q253-R259 PolarHBondContact O-NH2 3.08Å | ||
| 254 | R | 95.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 48 Ų | 48 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -58.8 | -49.2 | 179.4 | -179.2 | -176.7 | 161.8 | 177.8 | -0.5 | 111.4 | P183 M187 Y226 E227 N229 K230 L232 R259 | P183-R254 HydrophobicContact CB-CG 4Å; P183-R254 HydrophobicContact CG-CG 4.16Å; M187-R254 PolarHBondContact SD-NH2 3.15Å; M187-R254 VanDerWaalsContact SD-NH2 3.44Å; Y226-R254 PolarHBondContact O-NE 3.46Å; Y226-R254 PolarHBondContact O-NH1 3.12Å; Y226-R254 PolarHBondContact O-NH2 3.41Å; E227-R254 PolarHBondContact O-NH1 3.08Å; E227-R254 PolarHBondContact O-NH2 2.74Å; E227-R254 VanDerWaalsContact O-NH2 3.15Å; N229-R254 WeakPolarHBondContact O-CD 3.43Å; N229-R254 PolarHBondContact O-NH1 3.38Å; K230-R254 VanDerWaalsContact CA-NH1 3.31Å; K230-R254 WeakPolarHBondContact O-CD 3.47Å; L232-R254 HydrophobicContact CB-CB 4.46Å; L232-R254 HydrophobicContact CD1-CB 3.74Å; L232-R254 HydrophobicContact CD1-CG 3.96Å; L232-R254 HydrophobicContact CG-CB 3.95Å; L232-R254 HydrophobicContact CG-CG 4.37Å; R254-R259 PolarHBondContact O-NH2 3.25Å |
| 255 | N | 93.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82 | 119.7 | -178.9 | 178 | 13.3 | 0 | 0 | 0 | 109.4 | Q253 K257 D258 R259 | Q253-N255 PolarHBondContact O-N 3.23Å; N255-K257 PolarHBondContact O-N 3.27Å; N255-K257 VanDerWaalsContact O-N 3.12Å; N255-K257 PolarHBondContact OD1-N 2.86Å; N255-K257 VanDerWaalsContact OD1-N 3.17Å; N255-D258 HydrophobicContact CB-CB 4.36Å; N255-D258 VanDerWaalsContact CB-OD2 3.28Å; N255-D258 WeakPolarHBondContact CB-OD2 3.33Å; N255-D258 PolarHBondContact ND2-OD1 3.06Å; N255-D258 VanDerWaalsContact ND2-OD1 3.17Å; N255-D258 PolarHBondContact ND2-OD2 3.45Å; N255-D258 PolarHBondContact O-N 2.75Å; N255-D258 VanDerWaalsContact O-N 3.09Å; N255-R259 PolarHBondContact O-N 2.92Å; N255-R259 VanDerWaalsContact O-N 3.11Å |
| 256 | H | 93.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.6 | 178.5 | 76.2 | 113.8 | 0 | 0 | 0 | 113.4 | D192 K194 | D192-H256 IonicContact OD2-CE1 3.66Å; D192-H256 IonicContact OD2-CG 2.7Å; D192-H256 IonicContact OD2-ND1 2.78Å; D192-H256 PolarHBondContact OD2-ND1 3.4Å; K194-H256 WeakPolarHBondContact CD-O 3.47Å |
| 257 | K | 93.3 | Very high | 96.6 | Very high | 155 Ų | 155 | 47 Ų | 47 | 67% | 0.674 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -41.4 | 176 | -58.4 | -172.4 | 179.4 | -174.8 | 0 | 112.6 | N255 R259 | N255-K257 PolarHBondContact O-N 3.27Å; N255-K257 VanDerWaalsContact O-N 3.12Å; N255-K257 PolarHBondContact OD1-N 2.86Å; N255-K257 VanDerWaalsContact OD1-N 3.17Å; K257-R259 VanDerWaalsContact C-N 3.33Å |
| 258 | D | 95 | Very high | 96.6 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.3 | -177.2 | -46.6 | -27.3 | 0 | 0 | 0 | 111.8 | N255 | N255-D258 HydrophobicContact CB-CB 4.36Å; N255-D258 VanDerWaalsContact CB-OD2 3.28Å; N255-D258 WeakPolarHBondContact CB-OD2 3.33Å; N255-D258 PolarHBondContact ND2-OD1 3.06Å; N255-D258 VanDerWaalsContact ND2-OD1 3.17Å; N255-D258 PolarHBondContact ND2-OD2 3.45Å; N255-D258 PolarHBondContact O-N 2.75Å; N255-D258 VanDerWaalsContact O-N 3.09Å |
| 259 | R | 97.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -70.4 | 141.5 | 176.5 | -164.1 | 179.4 | -58.2 | 143.2 | 9.4 | 111.1 | E184 K194 G250 L251 Q253 R254 N255 K257 D261 | E184-R259 IonicContact OE1-CZ 2.68Å; E184-R259 IonicContact OE1-NH1 2.79Å; E184-R259 PolarHBondContact OE1-NH1 3.09Å; E184-R259 IonicContact OE1-NH2 2.68Å; E184-R259 PolarHBondContact OE1-NH2 2.79Å; E184-R259 IonicContact OE2-CZ 2.72Å; E184-R259 IonicContact OE2-NH1 2.8Å; E184-R259 IonicContact OE2-NH2 3.57Å; E184-R259 PolarHBondContact OE2-NH2 3.04Å; K194-R259 HydrophobicContact CD-CB 4.48Å; K194-R259 PolarHBondContact NZ-O 2.77Å; K194-R259 WeakPolarHBondContact O-CD 3.36Å; K194-R259 PolarHBondContact O-NH1 3.21Å; G250-R259 WeakPolarHBondContact O-CG 3.32Å; L251-R259 VanDerWaalsContact O-CD 3.22Å; L251-R259 WeakPolarHBondContact O-CD 3.41Å; L251-R259 WeakPolarHBondContact O-CG 3.21Å; Q253-R259 HydrophobicContact CB-CB 3.87Å; Q253-R259 HydrophobicContact CB-CG 4.21Å; Q253-R259 PolarHBondContact O-NE 3.31Å; Q253-R259 PolarHBondContact O-NH2 3.08Å; R254-R259 PolarHBondContact O-NH2 3.25Å; N255-R259 PolarHBondContact O-N 2.92Å; N255-R259 VanDerWaalsContact O-N 3.11Å; K257-R259 VanDerWaalsContact C-N 3.33Å; R259-D261 PolarHBondContact O-N 3.06Å |
| 260 | M | 97.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | trans | -44.7 | 135.9 | 171.1 | 179.1 | 176.5 | -80.1 | 0 | 0 | 111.4 | L197 L247 G250 L251 E264 F265 | L197-M260 VanDerWaalsContact CD1-O 3.3Å; L197-M260 WeakPolarHBondContact CD1-O 3.32Å; L247-M260 HydrophobicContact CD1-CE 4.29Å; L247-M260 HydrophobicContact CD1-SD 3.86Å; G250-M260 WeakPolarHBondContact O-CB 3.38Å; G250-M260 PolarHBondContact O-N 3.11Å; L251-M260 HydrophobicContact CD2-CB 4.35Å; L251-M260 HydrophobicContact CD2-CG 4.42Å; L251-M260 HydrophobicContact CD2-SD 3.92Å; L251-M260 HydrophobicContact CG-SD 4.19Å; M260-E264 VanDerWaalsContact CA-OE2 3.25Å; M260-E264 WeakPolarHBondContact CA-OE2 3.39Å; M260-E264 HydrophobicContact CG-CB 3.76Å; M260-F265 HydrophobicContact CG-CB 4.2Å; M260-F265 HydrophobicContact SD-CB 3.97Å; M260-F265 HydrophobicContact SD-CD2 4.41Å | ||
| 261 | D | 96.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | trans | -88.8 | -178.8 | 173.5 | 78.9 | 38.6 | 0 | 0 | 0 | 113.4 | R259 D263 E264 F265 | R259-D261 PolarHBondContact O-N 3.06Å; D261-D263 PolarHBondContact OD1-N 3.29Å; D261-E264 PolarHBondContact N-OE2 3.08Å; D261-E264 PolarHBondContact OD1-N 2.89Å; D261-F265 WeakPolarHBondContact O-CB 3.19Å; D261-F265 PolarHBondContact O-N 3Å | ||
| 262 | F | 96.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | -176.3 | -80.3 | -87.8 | 0 | 0 | 0 | 113.1 | M119 Q123 A193 L197 F265 F266 | M119-F262 HydrophobicContact CE-CE1 3.94Å; M119-F262 HydrophobicContact CE-CZ 4.35Å; Q123-F262 HydrophobicContact CB-CD1 4.19Å; Q123-F262 HydrophobicContact CB-CE1 4.42Å; Q123-F262 HydrophobicContact CG-CB 4.25Å; Q123-F262 HydrophobicContact CG-CD1 4.16Å; Q123-F262 HydrophobicContact CG-CD2 4.37Å; Q123-F262 HydrophobicContact CG-CG 3.99Å; Q123-F262 VanDerWaalsContact NE2-CB 3.33Å; A193-F262 HydrophobicContact CB-CE2 3.47Å; A193-F262 VanDerWaalsContact CB-CE2 3.47Å; A193-F262 HydrophobicContact CB-CZ 3.84Å; A193-F262 WeakPolarHBondContact O-CZ 3.42Å; L197-F262 HydrophobicContact CD1-CD1 4.28Å; L197-F262 HydrophobicContact CD1-CD2 3.78Å; L197-F262 HydrophobicContact CD1-CE1 4.32Å; L197-F262 HydrophobicContact CD1-CE2 3.8Å; L197-F262 HydrophobicContact CD1-CG 4.03Å; L197-F262 HydrophobicContact CD1-CZ 4.1Å; L197-F262 HydrophobicContact CD2-CD1 3.91Å; L197-F262 HydrophobicContact CD2-CE1 3.71Å; L197-F262 HydrophobicContact CD2-CG 4.47Å; L197-F262 HydrophobicContact CD2-CZ 4.08Å; L197-F262 HydrophobicContact CG-CD1 4.28Å; L197-F262 HydrophobicContact CG-CD2 4.34Å; L197-F262 HydrophobicContact CG-CE1 3.91Å; L197-F262 HydrophobicContact CG-CE2 3.95Å; L197-F262 HydrophobicContact CG-CG 4.49Å; L197-F262 HydrophobicContact CG-CZ 3.73Å; F262-F265 PolarHBondContact O-N 3.29Å; F262-F266 HydrophobicContact CB-CD2 4.4Å; F262-F266 HydrophobicContact CB-CE2 3.89Å; F262-F266 HydrophobicContact CB-CZ 4.35Å; F262-F266 HydrophobicContact CD1-CE1 4.49Å; F262-F266 HydrophobicContact CD1-CE2 4.12Å; F262-F266 AromaticContact CD1-CZ 3.74Å; F262-F266 HydrophobicContact CD1-CZ 3.74Å; F262-F266 HydrophobicContact CG-CE2 4.5Å; F262-F266 WeakPolarHBondContact O-CB 3.29Å; F262-F266 WeakPolarHBondContact O-CD2 3.48Å; F262-F266 WeakPolarHBondContact O-CG 3.34Å; F262-F266 PolarHBondContact O-N 2.69Å |
| 263 | D | 96.3 | Very high | 94.4 | Very high | 101 Ų | 101 | 55.1 Ų | 55.1 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.1 | -41.8 | -176.5 | -63.6 | -31 | 0 | 0 | 0 | 109.3 | D261 F265 F266 T267 | D261-D263 PolarHBondContact OD1-N 3.29Å; D263-F265 VanDerWaalsContact C-N 3.34Å; D263-F265 PolarHBondContact O-N 2.78Å; D263-F266 PolarHBondContact O-N 3.24Å; D263-T267 PolarHBondContact O-N 3.49Å; D263-T267 PolarHBondContact O-OG1 3.14Å |
| 264 | E | 97 | Very high | 92.3 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.8 | -46.9 | 166.8 | -67.9 | -178.3 | 132.4 | 0 | 0 | 112 | M260 D261 T267 H268 | M260-E264 VanDerWaalsContact CA-OE2 3.25Å; M260-E264 WeakPolarHBondContact CA-OE2 3.39Å; M260-E264 HydrophobicContact CG-CB 3.76Å; D261-E264 PolarHBondContact N-OE2 3.08Å; D261-E264 PolarHBondContact OD1-N 2.89Å; E264-T267 PolarHBondContact O-N 3.08Å; E264-H268 WeakPolarHBondContact O-CB 3.17Å; E264-H268 PolarHBondContact O-N 3.43Å |
| 265 | F | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 178.7 | 170.3 | -114.7 | 0 | 0 | 0 | 112.2 | L112 A116 L197 I200 L247 L251 M260 D261 F262 D263 T267 H268 L271 | L112-F265 HydrophobicContact CD1-CE2 4.12Å; L112-F265 HydrophobicContact CD1-CZ 3.94Å; L112-F265 HydrophobicContact CD2-CE2 4.32Å; L112-F265 HydrophobicContact CG-CE2 4.33Å; L112-F265 HydrophobicContact CG-CZ 4.35Å; A116-F265 HydrophobicContact CB-CE1 3.87Å; A116-F265 HydrophobicContact CB-CZ 4.06Å; L197-F265 HydrophobicContact CD2-CB 4.21Å; L197-F265 HydrophobicContact CD2-CD1 3.65Å; L197-F265 HydrophobicContact CD2-CE1 4.13Å; L197-F265 HydrophobicContact CD2-CG 3.88Å; I200-F265 HydrophobicContact CG2-CE2 4.27Å; I200-F265 HydrophobicContact CG2-CZ 4.11Å; L247-F265 HydrophobicContact CD1-CD2 4.05Å; L247-F265 HydrophobicContact CD1-CE2 4.39Å; L251-F265 HydrophobicContact CD1-CD2 4.41Å; L251-F265 HydrophobicContact CD1-CE2 4.34Å; L251-F265 HydrophobicContact CD2-CD2 4.01Å; M260-F265 HydrophobicContact CG-CB 4.2Å; M260-F265 HydrophobicContact SD-CB 3.97Å; M260-F265 HydrophobicContact SD-CD2 4.41Å; D261-F265 WeakPolarHBondContact O-CB 3.19Å; D261-F265 PolarHBondContact O-N 3Å; F262-F265 PolarHBondContact O-N 3.29Å; D263-F265 VanDerWaalsContact C-N 3.34Å; D263-F265 PolarHBondContact O-N 2.78Å; F265-T267 VanDerWaalsContact C-N 3.32Å; F265-T267 PolarHBondContact O-N 3.37Å; F265-H268 WeakPolarHBondContact O-CB 3.49Å; F265-H268 PolarHBondContact O-N 3.08Å; F265-L271 WeakPolarHBondContact O-CD1 3.46Å |
| 266 | F | 97 | Very high | 87.9 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -26.1 | -179.6 | -62.7 | -38.2 | 0 | 0 | 0 | 113.6 | A116 M119 K120 F262 D263 | A116-F266 HydrophobicContact CB-CD1 4.1Å; A116-F266 HydrophobicContact CB-CE1 4.35Å; A116-F266 VanDerWaalsContact O-CE1 3.28Å; A116-F266 WeakPolarHBondContact O-CE1 3.39Å; M119-F266 HydrophobicContact CB-CE1 4.1Å; M119-F266 HydrophobicContact CB-CZ 4.27Å; K120-F266 VanDerWaalsContact CA-CZ 3.42Å; K120-F266 HydrophobicContact CB-CE1 3.97Å; K120-F266 HydrophobicContact CB-CE2 4Å; K120-F266 HydrophobicContact CB-CZ 3.65Å; K120-F266 HydrophobicContact CD-CD2 4.27Å; K120-F266 HydrophobicContact CD-CE2 4.37Å; K120-F266 HydrophobicContact CG-CD2 4.36Å; K120-F266 HydrophobicContact CG-CE2 3.97Å; K120-F266 HydrophobicContact CG-CZ 4.16Å; F262-F266 HydrophobicContact CB-CD2 4.4Å; F262-F266 HydrophobicContact CB-CE2 3.89Å; F262-F266 HydrophobicContact CB-CZ 4.35Å; F262-F266 HydrophobicContact CD1-CE1 4.49Å; F262-F266 HydrophobicContact CD1-CE2 4.12Å; F262-F266 AromaticContact CD1-CZ 3.74Å; F262-F266 HydrophobicContact CD1-CZ 3.74Å; F262-F266 HydrophobicContact CG-CE2 4.5Å; F262-F266 WeakPolarHBondContact O-CB 3.29Å; F262-F266 WeakPolarHBondContact O-CD2 3.48Å; F262-F266 WeakPolarHBondContact O-CG 3.34Å; F262-F266 PolarHBondContact O-N 2.69Å; D263-F266 PolarHBondContact O-N 3.24Å |
| 267 | T | 96.6 | Very high | 85.7 | Confident | 109 Ų | 109 | 64.1 Ų | 64.1 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.5 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | D263 E264 F265 | D263-T267 PolarHBondContact O-N 3.49Å; D263-T267 PolarHBondContact O-OG1 3.14Å; E264-T267 PolarHBondContact O-N 3.08Å; F265-T267 VanDerWaalsContact C-N 3.32Å; F265-T267 PolarHBondContact O-N 3.37Å |
| 268 | H | 97.8 | Very high | 83 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | trans | -67.8 | 127 | -172.7 | -172.2 | -86.8 | 0 | 0 | 0 | 111.9 | H243 N246 L247 E264 F265 F270 L271 | H243-H268 PolarHBondContact O-CE1 3.27Å; H243-H268 VanDerWaalsContact O-CE1 3.28Å; N246-H268 PolarHBondContact OD1-NE2 2.91Å; L247-H268 HydrophobicContact CD1-CB 4.31Å; E264-H268 WeakPolarHBondContact O-CB 3.17Å; E264-H268 PolarHBondContact O-N 3.43Å; F265-H268 WeakPolarHBondContact O-CB 3.49Å; F265-H268 PolarHBondContact O-N 3.08Å; H268-F270 VanDerWaalsContact ND1-CB 3.35Å; H268-F270 WeakPolarHBondContact ND1-CB 3.4Å; H268-F270 PolarHBondContact ND1-N 3.4Å; H268-F270 VanDerWaalsContact ND1-N 3.18Å; H268-F270 PolarHBondContact O-N 3.19Å; H268-L271 WeakPolarHBondContact O-CB 3.5Å; H268-L271 PolarHBondContact O-N 2.86Å | ||
| 269 | P | 96.8 | Very high | 80.3 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -58.7 | -16.3 | -172.6 | -28.8 | 35.9 | 0 | 0 | 0 | 116.7 | L271 D272 | P269-L271 VanDerWaalsContact C-N 3.26Å; P269-L271 PolarHBondContact O-N 3.4Å; P269-D272 PolarHBondContact O-N 3.2Å |
| 270 | F | 97.1 | Very high | 77.3 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 1% | 0.013 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -64.3 | -30.2 | 170 | -178.5 | -102.5 | 0 | 0 | 0 | 112.9 | E105 I108 R109 L112 H243 L244 L247 H268 D272 | E105-F270 HydrophobicContact CB-CE2 4.27Å; E105-F270 HydrophobicContact CB-CZ 4.42Å; E105-F270 WeakPolarHBondContact O-CZ 3.37Å; I108-F270 HydrophobicContact CG2-CE1 4.11Å; I108-F270 HydrophobicContact CG2-CZ 4.17Å; R109-F270 HydrophobicContact CB-CE1 3.95Å; R109-F270 HydrophobicContact CB-CZ 3.95Å; R109-F270 VanDerWaalsContact CD-O 3.25Å; R109-F270 WeakPolarHBondContact CD-O 3.37Å; R109-F270 HydrophobicContact CG-CE1 4.46Å; R109-F270 WeakPolarHBondContact CG-O 3.34Å; R109-F270 PolarHBondContact NE-O 3.35Å; L112-F270 HydrophobicContact CD2-CD1 4.36Å; L112-F270 HydrophobicContact CD2-CE1 4.42Å; H243-F270 HydrophobicContact CB-CB 4.05Å; H243-F270 HydrophobicContact CB-CD2 4.27Å; L244-F270 HydrophobicContact CB-CD2 3.81Å; L244-F270 HydrophobicContact CB-CE2 3.68Å; L244-F270 HydrophobicContact CB-CZ 4.3Å; L244-F270 HydrophobicContact CD1-CD1 4.24Å; L244-F270 HydrophobicContact CD1-CD2 4.4Å; L244-F270 HydrophobicContact CD1-CE1 3.93Å; L244-F270 HydrophobicContact CD1-CE2 4.1Å; L244-F270 HydrophobicContact CD1-CG 4.47Å; L244-F270 HydrophobicContact CD1-CZ 3.85Å; L244-F270 HydrophobicContact CD2-CE2 4.19Å; L244-F270 HydrophobicContact CD2-CZ 4.13Å; L244-F270 HydrophobicContact CG-CE2 4.2Å; L244-F270 HydrophobicContact CG-CZ 4.31Å; L247-F270 HydrophobicContact CD2-CB 4.14Å; L247-F270 HydrophobicContact CD2-CD1 3.62Å; L247-F270 HydrophobicContact CD2-CE1 4.4Å; L247-F270 HydrophobicContact CD2-CG 4.1Å; H268-F270 VanDerWaalsContact ND1-CB 3.35Å; H268-F270 WeakPolarHBondContact ND1-CB 3.4Å; H268-F270 PolarHBondContact ND1-N 3.4Å; H268-F270 VanDerWaalsContact ND1-N 3.18Å; H268-F270 PolarHBondContact O-N 3.19Å; F270-D272 VanDerWaalsContact C-N 3.34Å |
| 271 | L | 94.9 | Very high | 74.4 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 9% | 0.094 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -81.3 | -11.7 | 179.6 | -57.2 | -174.4 | 0 | 0 | 0 | 113 | L112 Q113 A116 F265 H268 P269 A273 | L112-L271 HydrophobicContact CB-CD2 4.09Å; L112-L271 HydrophobicContact CD2-CD2 3.74Å; L112-L271 HydrophobicContact CG-CD2 3.74Å; Q113-L271 HydrophobicContact CG-CB 4.47Å; Q113-L271 HydrophobicContact CG-CD2 4.48Å; Q113-L271 PolarHBondContact NE2-O 2.96Å; A116-L271 HydrophobicContact CB-CD1 4.12Å; F265-L271 WeakPolarHBondContact O-CD1 3.46Å; H268-L271 WeakPolarHBondContact O-CB 3.5Å; H268-L271 PolarHBondContact O-N 2.86Å; P269-L271 VanDerWaalsContact C-N 3.26Å; P269-L271 PolarHBondContact O-N 3.4Å; L271-A273 PolarHBondContact O-N 3.48Å |
| 272 | D | 88.8 | Confident | 71.7 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | trans | -67.7 | 123.3 | -178.1 | -81.4 | -35.8 | 0 | 0 | 0 | 112.2 | P269 F270 S274 S275 | P269-D272 PolarHBondContact O-N 3.2Å; F270-D272 VanDerWaalsContact C-N 3.34Å; D272-S274 PolarHBondContact O-N 3.02Å; D272-S274 VanDerWaalsContact O-N 3.14Å; D272-S275 PolarHBondContact O-OG 3.22Å | ||
| 273 | A | 65.1 | Low | 68.5 | Low | 79 Ų | 79 | 88.6 Ų | 88.6 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -66.6 | -10.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L271 S275 | L271-A273 PolarHBondContact O-N 3.48Å; A273-S275 VanDerWaalsContact C-N 3.27Å; A273-S275 PolarHBondContact O-N 2.83Å |
| 274 | S | 54.9 | Low | 65.7 | Low | 103 Ų | 103 | 89.6 Ų | 89.6 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -74.9 | -9.8 | -178 | 61.4 | 0 | 0 | 0 | 0 | 114.6 | D272 | D272-S274 PolarHBondContact O-N 3.02Å; D272-S274 VanDerWaalsContact O-N 3.14Å |
| 275 | S | 49.4 | Very low | 62.6 | Low | 66 Ų | 66 | 90.6 Ų | 90.6 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -76.1 | -19 | -177.1 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | D272 A273 | D272-S275 PolarHBondContact O-OG 3.22Å; A273-S275 VanDerWaalsContact C-N 3.27Å; A273-S275 PolarHBondContact O-N 2.83Å |
| 276 | S | 47.3 | Very low | 59.4 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -89.5 | 130 | 176.5 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 277 | I | 47 | Very low | 56.2 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 76% | 0.764 | 60% | 0.601 | S | S | * | * | trans | 71.2 | 72.7 | 173.7 | -39.3 | 175.9 | 0 | 0 | 0 | 115.1 | ||||
| 278 | K | 35.6 | Very low | 52.9 | Low | 205 Ų | 205 | 104.1 Ų | 104.1 | 89% | 0.891 | 61% | 0.613 | S | S | * | * | trans | -107.9 | 92.4 | 131.8 | -74.8 | -175.1 | -179.7 | 177.2 | 0 | 108.9 | S280 | K278-S280 PolarHBondContact O-N 2.85Š| ||
| 279 | K | 39.6 | Very low | 49.8 | Very low | 190 Ų | 190 | 111.7 Ų | 111.7 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | trans | -70.6 | 95.1 | 168.2 | -85.1 | -174 | 173.7 | -178.5 | 0 | 108.7 | V281 | K279-V281 PolarHBondContact O-N 3.03Å; K279-V281 VanDerWaalsContact O-N 3.16Å | ||
| 280 | S | 34 | Very low | 47.3 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -65.2 | 108.1 | 166.9 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | K278 | K278-S280 PolarHBondContact O-N 2.85Š| ||
| 281 | V | 36.5 | Very low | 44 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -67.8 | 131.6 | 166.4 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | K279 T283 | K279-V281 PolarHBondContact O-N 3.03Å; K279-V281 VanDerWaalsContact O-N 3.16Å; V281-T283 PolarHBondContact O-N 3.47Å; V281-T283 VanDerWaalsContact O-N 3.1Å | ||
| 282 | P | 39.9 | Very low | 41.1 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | -74.8 | 101.1 | 177.8 | 29.5 | -33.2 | 0 | 0 | 0 | 110.1 | V284 | P282-V284 PolarHBondContact O-N 3.23Š| ||
| 283 | T | 29.9 | Very low | 38.3 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -66.7 | 113.1 | 168.6 | -56 | 0 | 0 | 0 | 0 | 109.1 | V281 T285 | V281-T283 PolarHBondContact O-N 3.47Å; V281-T283 VanDerWaalsContact O-N 3.1Å; T283-T285 PolarHBondContact O-N 3.05Å | ||
| 284 | V | 36.1 | Very low | 36.8 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -71.9 | 112.8 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | P282 M286 | P282-V284 PolarHBondContact O-N 3.23Å; V284-M286 HydrophobicContact CG1-CG 4.34Å; V284-M286 PolarHBondContact O-N 3.21Å | ||
| 285 | T | 31.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -72.5 | 114.2 | 172.1 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | T283 | T283-T285 PolarHBondContact O-N 3.05Š| ||
| 286 | M | 31.2 | Very low | 34.9 | Very low | 163 Ų | 163 | 128 Ų | 128 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | trans | -129.1 | 140.3 | 163.2 | -83.9 | -72.6 | 106.4 | 0 | 0 | 109.5 | V284 | V284-M286 HydrophobicContact CG1-CG 4.34Å; V284-M286 PolarHBondContact O-N 3.21Å | ||
| 287 | T | 30.7 | Very low | 34.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -79 | 138.4 | -170.6 | 43 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 288 | C | 27.1 | Very low | 33.5 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | trans | -148.7 | 154.3 | 148.8 | -106.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 289 | L | 32 | Very low | 33.4 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -92.8 | 163.1 | -176.8 | -82 | 166.6 | 0 | 0 | 0 | 112.1 | ||||
| 290 | P | 45.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -83.1 | 156.1 | -165.2 | 33.2 | -37 | 0 | 0 | 0 | 114.5 | ||||
| 291 | S | 27.8 | Very low | 33.4 | Very low | 126 Ų | 126 | 120 Ų | 120 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -156.8 | 161.6 | 162.9 | -81.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 292 | S | 33.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 120.1 Ų | 120.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -92 | 156.5 | -155.2 | -58.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 293 | A | 30.2 | Very low | 33 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -5.5 | 135.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 294 | S | 32.6 | Very low | 33.3 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | -178.8 | 159.3 | 115.9 | -79.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 295 | A | 30.5 | Very low | 33 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 16.6 | 147.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 296 | S | 34.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | cis | -179.9 | 153 | -4.8 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 297 | S | 35.5 | Very low | 33.2 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 64.7 | 152.4 | 156.5 | -58.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 298 | C | 29.9 | Very low | 33.2 | Very low | 115 Ų | 115 | 122 Ų | 122 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | cis | -163.9 | 176.6 | -23.1 | 65.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 299 | S | 33.6 | Very low | 34.8 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -140.7 | -147.3 | 6.8 | -114.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 300 | S | 35.8 | Very low | 36 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -154 | 139.6 | 12.5 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 301 | S | 36.6 | Very low | 35.4 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 12.1 | 132.9 | 144.4 | -47.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 302 | S | 35.2 | Very low | 35.6 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | -155.6 | 134.9 | 128.7 | -81.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 303 | T | 33.3 | Very low | 35.5 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -137.2 | 146.6 | 175 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 304 | S | 35.8 | Very low | 35.5 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 164.4 | 156.4 | 142.2 | 46 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 305 | H | 31 | Very low | 35.4 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -142.9 | 172.2 | 172.2 | -90.5 | -91.9 | 0 | 0 | 0 | 108.4 | ||||
| 306 | L | 36.4 | Very low | 35.5 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 83.1 | 113 | 161 | -46.7 | -177.7 | 0 | 0 | 0 | 118.3 | ||||
| 307 | A | 29.1 | Very low | 35.2 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | -164.8 | 153.5 | 117.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 308 | S | 30.9 | Very low | 34.9 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -147.5 | -168.7 | 175.2 | -40.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 309 | P | 62.4 | Low | 34.7 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -124.8 | -134.5 | -18.2 | 31 | -4.9 | 0 | 0 | 0 | 107.9 | ||||
| 310 | P | 57.1 | Low | 34.4 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -138.4 | -170.2 | -16 | 42.2 | -22.4 | 0 | 0 | 0 | 117 | ||||
| 311 | Q | 31.9 | Very low | 33.9 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 77.9 | 139 | 162.1 | -68.9 | 176.3 | 0.1 | 0 | 0 | 118.4 | ||||
| 312 | S | 32.5 | Very low | 33.5 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -166.4 | 142 | -8.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 313 | L | 31.1 | Very low | 32.9 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 57.8 | 151.1 | 160.3 | -82.9 | 79.8 | 0 | 0 | 0 | 118.4 | ||||
| 314 | A | 28.8 | Very low | 32.6 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | cis | -143.3 | 135.4 | -6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 315 | E | 30.9 | Very low | 32.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 59.6 | 136.9 | 78.6 | -65.2 | -150 | 100.9 | 0 | 0 | 114.7 | |||||
| 316 | T | 32.2 | Very low | 31.8 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 61% | 0.613 | 77% | 0.77 | S | S | * | * | cis | -164.2 | 173.9 | -7.6 | 21.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 317 | Q | 29.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | cis | -148.7 | 145.4 | -1.2 | -116.6 | 144 | 24.2 | 0 | 0 | 106.2 | ||||
| 318 | H | 29.4 | Very low | 32.2 | Very low | 143 Ų | 143 | 134 Ų | 134 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | 59.9 | 131.1 | 72.3 | -113.6 | -132 | 0 | 0 | 0 | 112.9 | |||||
| 319 | L | 25.8 | Very low | 32.1 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | cis | -140.7 | 140.6 | 30.7 | -78.7 | 147.7 | 0 | 0 | 0 | 110.8 | ||||
| 320 | R | 26.6 | Very low | 30.1 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 61.9 | 94.7 | 75.6 | -161 | -170.4 | -162.1 | 116.9 | -4.1 | 112.5 | |||||
| 321 | A | 26.1 | Very low | 28.8 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | 80.4 | 105.3 | 51.6 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 322 | K | 27.7 | Very low | 28.6 | Very low | 211 Ų | 211 | 136.2 Ų | 136.2 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | 176.2 | 138.9 | 129.6 | -100.8 | -178.5 | 177.4 | -171.7 | 0 | 111.2 | |||||
| 323 | V | 23.1 | Very low | 28.3 | Very low | 145 Ų | 145 | 135 Ų | 135 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -135.3 | 136.9 | 164.8 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 324 | L | 26.4 | Very low | 28 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -157 | 153.2 | 172 | -151.1 | 147.9 | 0 | 0 | 0 | 107.5 | ||||
| 325 | A | 25.9 | Very low | 28 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 79 | 131.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 326 | S | 24.2 | Very low | 27.9 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -121.5 | -170.7 | 169.5 | 48.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 327 | P | 50 | Low | 27.7 | Very low | 104 Ų | 104 | 141 Ų | 141 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -121.5 | -179.8 | -32.1 | 34.3 | -18.6 | 0 | 0 | 0 | 111.4 | ||||
| 328 | T | 24.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | 164.4 | 163.5 | 125.6 | 36.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 329 | Q | 27.4 | Very low | 27.5 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 95.9 | 155.9 | 148 | -146.5 | 154.4 | 23.2 | 0 | 0 | 119.5 | ||||
| 330 | E | 21.8 | Very low | 27.7 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -111.2 | 158.9 | -150.9 | -56.8 | 171.4 | 106.5 | 0 | 0 | 113.9 | ||||
| 331 | A | 29 | Very low | 27.7 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 49 | 134.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 332 | A | 28.7 | Very low | 27.9 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | 67.7 | 139.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 333 | G | 25.6 | Very low | 27.9 | Very low | 69 Ų | 69 | 124.9 Ų | 124.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | 151.9 | -177.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 334 | F | 24.3 | Very low | 28.2 | Very low | 198 Ų | 198 | 121.5 Ų | 121.5 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | 76.4 | 157.8 | 161.1 | -128.1 | -112.7 | 0 | 0 | 0 | 118.8 | ||||
| 335 | L | 28.3 | Very low | 28.5 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | trans | 68.2 | 143 | 175.4 | -53.7 | -177.8 | 0 | 0 | 0 | 115.5 | ||||
| 336 | L | 29.1 | Very low | 28.9 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -166.1 | 168.1 | -13.3 | -92.6 | 174.8 | 0 | 0 | 0 | 104.8 | ||||
| 337 | K | 27.7 | Very low | 29.3 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | cis | -177.1 | 146.7 | -16 | 162.9 | 173.4 | 164.5 | -178.5 | 0 | 108.4 | ||||
| 338 | D | 26 | Very low | 28.3 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 62.2 | 168.3 | 160.5 | -77.7 | -19 | 0 | 0 | 0 | 120.5 | ||||
| 339 | S | 29.9 | Very low | 28.6 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | 176.5 | 166.8 | -39.1 | -92.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 340 | S | 29.2 | Very low | 28.9 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | 73.1 | 150.3 | 171.8 | 80.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 341 | G | 28.2 | Very low | 29.3 | Very low | 67 Ų | 67 | 115.2 Ų | 115.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | 171 | 172.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 342 | A | 28.6 | Very low | 29.2 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 96% | 0.959 | 75% | 0.753 | S | S | * | * | trans | 65.3 | 151.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 343 | G | 28.5 | Very low | 29.1 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | cis | 142.2 | 147.2 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 344 | G | 28.9 | Very low | 29.1 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | cis | 172.3 | -168.2 | -1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 345 | S | 33 | Very low | 29.2 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | 71.7 | 156 | -179.1 | -121.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 346 | S | 34.9 | Very low | 28.9 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | cis | -164.6 | 162.1 | 8.5 | 109 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 347 | K | 32.6 | Very low | 28.7 | Very low | 162 Ų | 162 | 115.8 Ų | 115.8 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | cis | -174.6 | 158.3 | -3 | -110.1 | 168.9 | -177.7 | 176.1 | 0 | 110.1 | ||||
| 348 | N | 29.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 64.7 | 148.6 | 143.3 | -65.7 | 16.5 | 0 | 0 | 0 | 121.9 | ||||
| 349 | S | 29.3 | Very low | 28.2 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | cis | -174.4 | 147 | -12.1 | 47.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 350 | S | 34.1 | Very low | 27.9 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 62.2 | 167.3 | 149.3 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 351 | S | 30.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | cis | -168.6 | -168.8 | -6.5 | -117.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 352 | C | 27.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 118.3 Ų | 118.3 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | -167 | 168.3 | -57.3 | 58.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 353 | D | 26.9 | Very low | 27.9 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 68.7 | 152.6 | 162.3 | -54.8 | -28.8 | 0 | 0 | 0 | 119.5 | ||||
| 354 | T | 25.7 | Very low | 27.5 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | cis | -167.5 | 154.5 | -6.2 | 20 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 355 | D | 25.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 53.5 | 164.5 | 146.1 | -43.8 | -25.6 | 0 | 0 | 0 | 121.6 | ||||
| 356 | D | 23.3 | Very low | 26.7 | Very low | 113 Ų | 113 | 130 Ų | 130 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | cis | -160.5 | 170.3 | -11 | -137.4 | -31.7 | 0 | 0 | 0 | 114.6 | ||||
| 357 | F | 23.1 | Very low | 26.2 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 53.2 | -175.2 | 155.1 | -62.2 | -51.8 | 0 | 0 | 0 | 122.9 | ||||
| 358 | V | 22.7 | Very low | 25.7 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | -165.9 | 162.7 | -90.8 | 141.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 359 | M | 22.1 | Very low | 25.6 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 80% | 0.803 | 75% | 0.754 | S | S | * | * | trans | 89.4 | 113 | 158.8 | -96.4 | -172.7 | -68.8 | 0 | 0 | 123.8 | ||||
| 360 | V | 23.7 | Very low | 25.3 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | 70.9 | 145 | 120.7 | 168.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 361 | P | 39.4 | Very low | 24.8 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -110.6 | 176.6 | -159.7 | 42.2 | -32.2 | 0 | 0 | 0 | 115.6 | ||||
| 362 | A | 22.9 | Very low | 24.4 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | -133.6 | 153.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 363 | H | 22.1 | Very low | 24.3 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -105.8 | 156.4 | -176.5 | -30.2 | -93.7 | 0 | 0 | 0 | 110.7 | ||||
| 364 | F | 21.8 | Very low | 24.2 | Very low | 215 Ų | 215 | 136.3 Ų | 136.3 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | -157.6 | 165.6 | 143.6 | -91.1 | -56.6 | 0 | 0 | 0 | 111.7 | ||||
| 365 | T | 20.8 | Very low | 24.1 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -124.3 | -175.2 | -166.1 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 366 | T | 22.6 | Very low | 24 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 82.9 | 135.8 | 159.6 | -44.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 367 | G | 24.8 | Very low | 24.1 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -166.9 | -173.9 | 1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 368 | E | 22.2 | Very low | 24.2 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -77 | 163.5 | -174.8 | -57.3 | 165.5 | 98.6 | 0 | 0 | 113.7 | ||||
| 369 | L | 26.4 | Very low | 24.4 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | -158.7 | 155.3 | 121.1 | -107.2 | 165.4 | 0 | 0 | 0 | 110.7 | |||||
| 370 | T | 23.2 | Very low | 24.7 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -126.3 | 158.5 | -159.3 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 371 | C | 24.4 | Very low | 24.8 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | -158.3 | 142.5 | 141.6 | -156.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 372 | E | 22.6 | Very low | 24.1 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | -100.9 | 160.9 | -179.5 | -72.7 | -158.6 | 145.9 | 0 | 0 | 113.3 | K374 | E372-K374 IonicContact OE1-NZ 2.64Å; E372-K374 PolarHBondContact OE1-NZ 3.24Å; E372-K374 IonicContact OE2-NZ 2.73Å; E372-K374 PolarHBondContact OE2-NZ 3.4Å | ||
| 373 | S | 23.8 | Very low | 24.4 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | -157.6 | 154.2 | 123.7 | -84.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 374 | K | 24.9 | Very low | 24.5 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -104 | 135.1 | -168.2 | -81.5 | -176.8 | 179.4 | 94.8 | 0 | 110.8 | E372 | E372-K374 IonicContact OE1-NZ 2.64Å; E372-K374 PolarHBondContact OE1-NZ 3.24Å; E372-K374 IonicContact OE2-NZ 2.73Å; E372-K374 PolarHBondContact OE2-NZ 3.4Å | ||
| 375 | V | 24.3 | Very low | 24.8 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 78.6 | 158.3 | 82 | 174.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 376 | L | 23.1 | Very low | 25 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | 84.2 | 109 | -168.3 | -51.8 | 179.3 | 0 | 0 | 0 | 112.5 | ||||
| 377 | Q | 26.1 | Very low | 25.3 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | 67.6 | 108.8 | 25.2 | -168.7 | -175.2 | -7.8 | 0 | 0 | 114.1 | ||||
| 378 | D | 24.1 | Very low | 25.4 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | -152.1 | 170.2 | 127.7 | -131.3 | -25 | 0 | 0 | 0 | 114.1 | |||||
| 379 | S | 26.9 | Very low | 25.7 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -140.4 | 176.6 | -179.9 | -84.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 380 | L | 27.6 | Very low | 25.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -164.5 | -179.9 | 9.9 | -135 | 171.4 | 0 | 0 | 0 | 107 | ||||
| 381 | M | 26.3 | Very low | 25.6 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 68.8 | 153.8 | 169.1 | -53.7 | -66.9 | 173.8 | 0 | 0 | 115.1 | ||||
| 382 | N | 25.6 | Very low | 25.8 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | cis | -143.4 | 176.9 | 25.8 | -151.6 | -8.7 | 0 | 0 | 0 | 114 | ||||
| 383 | S | 27.8 | Very low | 25.8 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -103.9 | 166.9 | -165.9 | -55.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 384 | G | 25 | Very low | 25.9 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 130.7 | 69.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 385 | S | 28.1 | Very low | 26 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | 61.7 | 161.3 | 128.5 | -149.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 386 | L | 25.9 | Very low | 26 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 90.5 | 118.6 | 156.9 | -59.6 | -175.5 | 0 | 0 | 0 | 123.2 | ||||
| 387 | L | 27.6 | Very low | 26.2 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 79.4 | 120.4 | 133.1 | -69.1 | 168.6 | 0 | 0 | 0 | 123.8 | ||||
| 388 | A | 26.6 | Very low | 26.3 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 66.9 | 160 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 389 | S | 28.4 | Very low | 27.7 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -168.1 | 142.4 | -30.7 | -92.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 390 | A | 24.9 | Very low | 28.8 | Very low | 105 Ų | 105 | 124 Ų | 124 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | 58.6 | 132.1 | 151 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 391 | G | 24.4 | Very low | 28.8 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 96.2 | 159.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 392 | L | 27.6 | Very low | 29.1 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | cis | -168.9 | 152.6 | -18.7 | -124.6 | 160.8 | 0 | 0 | 0 | 111 | ||||
| 393 | C | 23.3 | Very low | 29.8 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 64% | 0.635 | 77% | 0.772 | S | S | * | * | trans | 70.6 | 123.4 | 154.5 | -90.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 394 | N | 25.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | 98 | 124.7 | 119.6 | -77.7 | -9.8 | 0 | 0 | 0 | 125.8 | |||||
| 395 | Q | 26.2 | Very low | 30 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 78.4 | 99.7 | 131.9 | -67.9 | -178.9 | 44.6 | 0 | 0 | 123.5 | ||||
| 396 | A | 23.6 | Very low | 30.1 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | 50.8 | 127.2 | 115.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 397 | K | 28 | Very low | 30.1 | Very low | 209 Ų | 209 | 127 Ų | 127 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -168.7 | 150.9 | 135.4 | -109.3 | 160.6 | -174.4 | 174.1 | 0 | 114.9 | ||||
| 398 | T | 28 | Very low | 30.2 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -150.1 | 177.8 | 170.8 | 54.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 399 | P | 53.5 | Low | 31.1 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -109.1 | -104.2 | -8.1 | 32.1 | -9.4 | 0 | 0 | 0 | 110.4 | ||||
| 400 | P | 50.5 | Low | 31 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | cis | -131.3 | 130.5 | -14 | 34.9 | -13.3 | 0 | 0 | 0 | 117.5 | ||||
| 401 | H | 27.5 | Very low | 32.2 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 69.3 | 166.5 | 142.4 | -65.1 | -57.8 | 0 | 0 | 0 | 124.5 | ||||
| 402 | S | 33.2 | Very low | 32.2 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -112.2 | 180 | -157.2 | -35.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 403 | P | 39.7 | Very low | 32.2 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | -143.5 | -179.3 | 102.5 | 39.6 | -25.9 | 0 | 0 | 0 | 115.4 | |||||
| 404 | S | 28.1 | Very low | 32.6 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -125.6 | 145.8 | -176.8 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 405 | Y | 29.2 | Very low | 32.6 | Very low | 233 Ų | 233 | 131.4 Ų | 131.4 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | 174.8 | 161.9 | 155.6 | -87 | -61.2 | 0 | 0 | 0 | 107.7 | ||||
| 406 | S | 29.6 | Very low | 32.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -173.1 | 144.1 | -47.9 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 407 | G | 26 | Very low | 32.8 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -178.6 | 132.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 408 | S | 29.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -132.3 | -157.6 | -167.5 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | P | 45.9 | Very low | 33.4 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | -129.4 | -173.9 | -81.3 | 39.9 | -23.7 | 0 | 0 | 0 | 115.8 | |||||
| 410 | S | 25.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -24.9 | -178.8 | 153.7 | -43.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 411 | P | 49.7 | Very low | 31.1 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -146 | -163 | -47.7 | 41 | -21.3 | 0 | 0 | 0 | 115.2 | ||||
| 412 | V | 25.6 | Very low | 31 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | 92.4 | 137.3 | 143.8 | 154.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 413 | R | 26.8 | Very low | 30.7 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | 74 | 150.9 | 162.5 | -100.3 | 177.2 | -171.6 | 171.3 | 2.4 | 118.7 | ||||
| 414 | P | 32 | Very low | 30 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -125.3 | 178.6 | 71.1 | 41.3 | -33.3 | 0 | 0 | 0 | 116.4 | |||||
| 415 | T | 26.2 | Very low | 30 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 55% | 0.552 | 79% | 0.788 | S | S | * | * | trans | -151.4 | 134.1 | 173.5 | 38 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 416 | E | 26.3 | Very low | 29.8 | Very low | 190 Ų | 190 | 127.9 Ų | 127.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | 172.4 | 175.8 | 133.4 | -94 | 167.2 | -152.5 | 0 | 0 | 113.7 | ||||
| 417 | F | 26.9 | Very low | 29.8 | Very low | 201 Ų | 201 | 125.9 Ų | 125.9 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -106.4 | -168.9 | -165.3 | -85.4 | -92.2 | 0 | 0 | 0 | 112.4 | ||||
| 418 | P | 44.6 | Very low | 30 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | cis | -130.3 | -177.9 | -20.7 | 21.5 | 2.8 | 0 | 0 | 0 | 114.2 | ||||
| 419 | G | 25.2 | Very low | 30 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 165.1 | 90.3 | 158 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 420 | S | 28.2 | Very low | 29.1 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 39.8 | 113 | 141 | -152.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 421 | N | 26.4 | Very low | 29.2 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 68.3 | 152.8 | 130.9 | -64.1 | -10.9 | 0 | 0 | 0 | 126.1 | ||||
| 422 | Y | 27 | Very low | 28.2 | Very low | 222 Ų | 222 | 134.7 Ų | 134.7 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | 87.1 | 86.3 | 160.9 | -73.4 | -72.8 | 0 | 0 | 0 | 123.3 | ||||
| 423 | C | 25.6 | Very low | 28.5 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | 50.7 | 133.4 | 120.6 | -151.1 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 424 | G | 24.9 | Very low | 28.9 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | 120.9 | 114 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 425 | S | 28.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | 65.2 | 124.6 | 57.5 | -63 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 426 | C | 26 | Very low | 29.8 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -144.3 | 161.9 | -1.5 | -79.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 427 | G | 28.1 | Very low | 30.7 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | 80.7 | 137.2 | 79.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 428 | N | 30 | Very low | 31.4 | Very low | 157 Ų | 157 | 123 Ų | 123 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | cis | -140.3 | 162.3 | 2.1 | -62.8 | -31.1 | 0 | 0 | 0 | 108.4 | ||||
| 429 | H | 30.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 123 Ų | 123 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | cis | 79.9 | 118.7 | 33.6 | -113.5 | 84.7 | 0 | 0 | 0 | 117 | H431 | H429-H431 AromaticContact CD2-CE1 3.28Å; H429-H431 PolarHBondContact CD2-CE1 2.91Å; H429-H431 AromaticContact CD2-ND1 3.72Å; H429-H431 AromaticContact CD2-NE2 3.46Å; H429-H431 PolarHBondContact CD2-NE2 2.89Å; H429-H431 AromaticContact NE2-CE1 3.29Å; H429-H431 PolarHBondContact NE2-CE1 3.49Å; H429-H431 VanDerWaalsContact NE2-CE1 3.29Å; H429-H431 AromaticContact NE2-ND1 3.79Å; H429-H431 AromaticContact NE2-NE2 3.91Å | ||
| 430 | V | 27.2 | Very low | 32.4 | Very low | 144 Ų | 144 | 125 Ų | 125 | 87% | 0.873 | 74% | 0.741 | S | S | * | * | trans | -137.5 | 138.6 | 160.5 | 176.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 431 | H | 28.3 | Very low | 34 | Very low | 149 Ų | 149 | 123 Ų | 123 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | -108.4 | 155 | -172.6 | -76.7 | -66.5 | 0 | 0 | 0 | 113.7 | H429 | H429-H431 AromaticContact CD2-CE1 3.28Å; H429-H431 PolarHBondContact CD2-CE1 2.91Å; H429-H431 AromaticContact CD2-ND1 3.72Å; H429-H431 AromaticContact CD2-NE2 3.46Å; H429-H431 PolarHBondContact CD2-NE2 2.89Å; H429-H431 AromaticContact NE2-CE1 3.29Å; H429-H431 PolarHBondContact NE2-CE1 3.49Å; H429-H431 VanDerWaalsContact NE2-CE1 3.29Å; H429-H431 AromaticContact NE2-ND1 3.79Å; H429-H431 AromaticContact NE2-NE2 3.91Å | ||
| 432 | S | 28.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -118.8 | 146.9 | 162.6 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 433 | L | 31.6 | Very low | 36.4 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -108.8 | 146.9 | 179.6 | -68.3 | 172.9 | 0 | 0 | 0 | 111.8 | ||||
| 434 | P | 35.7 | Very low | 38 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | trans | -86.6 | 157.6 | -177.7 | 35 | -35.9 | 0 | 0 | 0 | 113.8 | ||||
| 435 | I | 39.6 | Very low | 39.5 | Very low | 159 Ų | 159 | 118.3 Ų | 118.3 | 82% | 0.815 | 67% | 0.674 | S | S | * | * | trans | -105 | 132.5 | 178.8 | -58.4 | 172.8 | 0 | 0 | 0 | 109.7 | ||||
| 436 | P | 37.9 | Very low | 41 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 44% | 0.435 | 66% | 0.664 | S | S | . | * | trans | -84.8 | 147 | -177.3 | 32.6 | -34.6 | 0 | 0 | 0 | 114.1 | Y444 | P436-Y444 HydrophobicContact CB-CD2 4.2Å; P436-Y444 HydrophobicContact CB-CE2 4.47Å; P436-Y444 HydrophobicContact CB-CG 4.43Å | ||
| 437 | V | 43.5 | Very low | 42.4 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 44% | 0.442 | 65% | 0.65 | S | S | . | * | trans | -86.5 | 141.1 | -177.9 | -179 | 0 | 0 | 0 | 0 | 111.5 | T439 Q440 | V437-T439 VanDerWaalsContact C-N 3.27Å; V437-T439 PolarHBondContact O-N 2.71Å; V437-Q440 PolarHBondContact O-N 2.61Å; V437-Q440 VanDerWaalsContact O-N 3.13Å | ||
| 438 | P | 43.4 | Very low | 43.6 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -55.4 | -29.3 | -169.9 | -31.2 | 37.1 | 0 | 0 | 0 | 116.9 | Q440 | P438-Q440 PolarHBondContact O-N 2.98Š|
| 439 | T | 41.7 | Very low | 44.8 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 78% | 0.779 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -70.5 | -10.4 | -178.3 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | V437 | V437-T439 VanDerWaalsContact C-N 3.27Å; V437-T439 PolarHBondContact O-N 2.71Å |
| 440 | Q | 48.3 | Very low | 45.8 | Very low | 117 Ų | 117 | 117 Ų | 117 | 55% | 0.547 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -123.7 | 5.7 | -172.9 | -59.1 | -170.3 | 5.4 | 0 | 0 | 114.7 | V437 P438 Q442 N443 Y444 | V437-Q440 PolarHBondContact O-N 2.61Å; V437-Q440 VanDerWaalsContact O-N 3.13Å; P438-Q440 PolarHBondContact O-N 2.98Å; Q440-Q442 VanDerWaalsContact C-N 3.25Å; Q440-Q442 PolarHBondContact O-N 2.84Å; Q440-Q442 VanDerWaalsContact O-N 3.11Å; Q440-N443 WeakPolarHBondContact O-CA 3.49Å; Q440-N443 PolarHBondContact O-N 3.47Å; Q440-Y444 PolarHBondContact O-N 2.81Å |
| 441 | V | 61.2 | Low | 46.8 | Very low | 62 Ų | 62 | 116.9 Ų | 116.9 | 38% | 0.376 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -53 | -38.1 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 113.3 | Y444 H445 | V441-Y444 PolarHBondContact O-N 2.72Å; V441-H445 PolarHBondContact O-N 3.33Å; V441-H445 PolarHBondContact O-ND1 2.91Å |
| 442 | Q | 50.6 | Low | 47.6 | Very low | 174 Ų | 174 | 117.2 Ų | 117.2 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.5 | -35.6 | 177.4 | -66.1 | -176.6 | -1.6 | 0 | 0 | 113.1 | Q440 R446 | Q440-Q442 VanDerWaalsContact C-N 3.25Å; Q440-Q442 PolarHBondContact O-N 2.84Å; Q440-Q442 VanDerWaalsContact O-N 3.11Å; Q442-R446 VanDerWaalsContact O-CB 3.25Å; Q442-R446 WeakPolarHBondContact O-CB 3.37Å; Q442-R446 PolarHBondContact O-N 3.16Å; Q442-R446 VanDerWaalsContact O-N 3.11Å |
| 443 | N | 53.6 | Low | 48.3 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.8 | -35.2 | 173.8 | -80.4 | -26.4 | 0 | 0 | 0 | 111.2 | Q440 R446 M447 | Q440-N443 WeakPolarHBondContact O-CA 3.49Å; Q440-N443 PolarHBondContact O-N 3.47Å; N443-R446 PolarHBondContact O-N 2.98Å; N443-M447 WeakPolarHBondContact O-CG 3.47Å; N443-M447 PolarHBondContact O-N 2.92Å |
| 444 | Y | 59.3 | Low | 48.4 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 38% | 0.376 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.7 | -54.9 | 174.4 | -173.5 | -92.6 | 0 | 0 | 0 | 111.7 | P436 Q440 V441 R446 M447 E448 | P436-Y444 HydrophobicContact CB-CD2 4.2Å; P436-Y444 HydrophobicContact CB-CE2 4.47Å; P436-Y444 HydrophobicContact CB-CG 4.43Å; Q440-Y444 PolarHBondContact O-N 2.81Å; V441-Y444 PolarHBondContact O-N 2.72Å; Y444-R446 VanDerWaalsContact C-N 3.25Å; Y444-R446 PolarHBondContact O-N 3.46Å; Y444-M447 WeakPolarHBondContact O-CA 3.47Å; Y444-M447 WeakPolarHBondContact O-CB 3.38Å; Y444-M447 PolarHBondContact O-N 2.9Å; Y444-E448 HydrophobicContact CD1-CG 4.21Å; Y444-E448 WeakPolarHBondContact CD1-OE2 3.42Å; Y444-E448 HydrophobicContact CE1-CG 3.91Å; Y444-E448 VanDerWaalsContact CE1-OE2 3.3Å; Y444-E448 WeakPolarHBondContact CE1-OE2 3.44Å; Y444-E448 PolarHBondContact O-N 3.3Å |
| 445 | H | 56.9 | Low | 48.3 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 48% | 0.477 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -56.4 | -40.3 | 175.1 | -77.1 | 76.8 | 0 | 0 | 0 | 112 | V441 M447 E448 L449 | V441-H445 PolarHBondContact O-N 3.33Å; V441-H445 PolarHBondContact O-ND1 2.91Å; H445-M447 VanDerWaalsContact C-N 3.31Å; H445-M447 PolarHBondContact O-N 3.1Å; H445-E448 PolarHBondContact O-N 3.06Å; H445-L449 WeakPolarHBondContact O-CB 3.41Å; H445-L449 VanDerWaalsContact O-CG 3.28Å; H445-L449 WeakPolarHBondContact O-CG 3.36Å; H445-L449 PolarHBondContact O-N 3.39Å |
| 446 | R | 60.3 | Low | 47.9 | Very low | 165 Ų | 165 | 119 Ų | 119 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64 | -33 | 175.2 | 177.5 | 178.7 | 162.4 | -157.4 | -5.7 | 112.5 | Q442 N443 Y444 N450 | Q442-R446 VanDerWaalsContact O-CB 3.25Å; Q442-R446 WeakPolarHBondContact O-CB 3.37Å; Q442-R446 PolarHBondContact O-N 3.16Å; Q442-R446 VanDerWaalsContact O-N 3.11Å; N443-R446 PolarHBondContact O-N 2.98Å; Y444-R446 VanDerWaalsContact C-N 3.25Å; Y444-R446 PolarHBondContact O-N 3.46Å; R446-N450 PolarHBondContact O-N 3.32Å; R446-N450 PolarHBondContact O-ND2 2.96Å |
| 447 | M | 54.8 | Low | 47.7 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 54% | 0.542 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -75.4 | -41.6 | 175.1 | -72.5 | -176.5 | -64.2 | 0 | 0 | 111.9 | N443 Y444 H445 L449 N450 L451 | N443-M447 WeakPolarHBondContact O-CG 3.47Å; N443-M447 PolarHBondContact O-N 2.92Å; Y444-M447 WeakPolarHBondContact O-CA 3.47Å; Y444-M447 WeakPolarHBondContact O-CB 3.38Å; Y444-M447 PolarHBondContact O-N 2.9Å; H445-M447 VanDerWaalsContact C-N 3.31Å; H445-M447 PolarHBondContact O-N 3.1Å; M447-L449 VanDerWaalsContact C-N 3.34Å; M447-L449 PolarHBondContact O-N 3.41Å; M447-N450 PolarHBondContact O-N 2.63Å; M447-N450 VanDerWaalsContact O-N 3.09Å; M447-L451 PolarHBondContact O-N 3.32Å |
| 448 | E | 52.8 | Low | 47 | Very low | 73 Ų | 73 | 124 Ų | 124 | 34% | 0.341 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -57.3 | -45.7 | 173.2 | -69.6 | -174.1 | 109.1 | 0 | 0 | 112 | Y444 H445 N450 L451 Q452 | Y444-E448 HydrophobicContact CD1-CG 4.21Å; Y444-E448 WeakPolarHBondContact CD1-OE2 3.42Å; Y444-E448 HydrophobicContact CE1-CG 3.91Å; Y444-E448 VanDerWaalsContact CE1-OE2 3.3Å; Y444-E448 WeakPolarHBondContact CE1-OE2 3.44Å; Y444-E448 PolarHBondContact O-N 3.3Å; H445-E448 PolarHBondContact O-N 3.06Å; E448-N450 PolarHBondContact O-N 3.35Å; E448-L451 PolarHBondContact O-N 2.88Å; E448-Q452 WeakPolarHBondContact O-CG 3.22Å; E448-Q452 PolarHBondContact O-N 3.45Å |
| 449 | L | 55 | Low | 46.5 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 64% | 0.644 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.9 | -24.6 | 176.9 | -73.1 | 168.4 | 0 | 0 | 0 | 113.7 | H445 M447 | H445-L449 WeakPolarHBondContact O-CB 3.41Å; H445-L449 VanDerWaalsContact O-CG 3.28Å; H445-L449 WeakPolarHBondContact O-CG 3.36Å; H445-L449 PolarHBondContact O-N 3.39Å; M447-L449 VanDerWaalsContact C-N 3.34Å; M447-L449 PolarHBondContact O-N 3.41Å |
| 450 | N | 51.1 | Low | 46.7 | Very low | 107 Ų | 107 | 123 Ų | 123 | 57% | 0.572 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.6 | -25.4 | 173.4 | -78.7 | -88.2 | 0 | 0 | 0 | 112.7 | R446 M447 E448 Q452 S453 | R446-N450 PolarHBondContact O-N 3.32Å; R446-N450 PolarHBondContact O-ND2 2.96Å; M447-N450 PolarHBondContact O-N 2.63Å; M447-N450 VanDerWaalsContact O-N 3.09Å; E448-N450 PolarHBondContact O-N 3.35Å; N450-Q452 VanDerWaalsContact C-N 3.34Å; N450-S453 PolarHBondContact O-OG 2.88Å |
| 451 | L | 49.7 | Very low | 45.7 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.7 | -25 | 176.3 | -81.9 | 160.9 | 0 | 0 | 0 | 112.9 | M447 E448 S453 | M447-L451 PolarHBondContact O-N 3.32Å; E448-L451 PolarHBondContact O-N 2.88Å; L451-S453 VanDerWaalsContact C-N 3.33Å; L451-S453 PolarHBondContact O-N 3.33Å |
| 452 | Q | 43.8 | Very low | 44.2 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -5.7 | -179.5 | -68.6 | 177.3 | 11.8 | 0 | 0 | 114.5 | E448 N450 | E448-Q452 WeakPolarHBondContact O-CG 3.22Å; E448-Q452 PolarHBondContact O-N 3.45Å; N450-Q452 VanDerWaalsContact C-N 3.34Å |
| 453 | S | 44.2 | Very low | 42.9 | Very low | 88 Ų | 88 | 131 Ų | 131 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 20.3 | -168.4 | 69.7 | 0 | 0 | 0 | 0 | 116.7 | N450 L451 | N450-S453 PolarHBondContact O-OG 2.88Å; L451-S453 VanDerWaalsContact C-N 3.33Å; L451-S453 PolarHBondContact O-N 3.33Å |
| 454 | T | 33.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | trans | -146.7 | 93.6 | 178.8 | -30.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 455 | K | 32.6 | Very low | 40 | Very low | 202 Ų | 202 | 133 Ų | 133 | 88% | 0.878 | 72% | 0.723 | S | S | * | * | trans | -178.8 | 112 | 147.1 | -105.8 | 168.2 | -173.9 | -178.4 | 0 | 112.5 | ||||
| 456 | Q | 32.7 | Very low | 38.5 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -155.7 | 146 | 146 | -112.2 | -178 | 8.6 | 0 | 0 | 108.2 | ||||
| 457 | D | 33.4 | Very low | 36.7 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -95.5 | 161.5 | -161.5 | -58.2 | -82.1 | 0 | 0 | 0 | 114.1 | ||||
| 458 | G | 29.1 | Very low | 35.2 | Very low | 82 Ų | 82 | 138 Ų | 138 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 164.9 | 93.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 459 | S | 31.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -113.9 | 160 | 159 | -128.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 460 | P | 46.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | cis | -152.8 | -170.8 | 39.1 | 43.7 | -22.4 | 0 | 0 | 0 | 118.1 | ||||
| 461 | R | 27.5 | Very low | 31.9 | Very low | 236 Ų | 236 | 138.2 Ų | 138.2 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 91.3 | 146.3 | 154.3 | -71.1 | 174.5 | -174.8 | -165.3 | 0.5 | 119.9 | ||||
| 462 | L | 28.9 | Very low | 30.9 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -90.5 | 157.4 | -175.5 | -62.8 | 69.8 | 0 | 0 | 0 | 111.3 | ||||
| 463 | S | 24.5 | Very low | 30.2 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -145.8 | 140.6 | 143.2 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 464 | T | 24.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -92.7 | 162.8 | -165.6 | -36.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 465 | A | 26.9 | Very low | 29.4 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -46.7 | 158.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 466 | V | 24.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 130 Ų | 130 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -158.3 | 127.1 | 134.3 | 128.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 467 | R | 23.7 | Very low | 29 | Very low | 220 Ų | 220 | 130 Ų | 130 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | 22.9 | 128.7 | 145.8 | -56.6 | 178.8 | -175.3 | 170.4 | 1.5 | 123.7 | ||||
| 468 | C | 24 | Very low | 28.8 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | 61.2 | 130 | 121.8 | -55.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 469 | G | 25.1 | Very low | 28.9 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 118.6 | 156.9 | 137.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 470 | S | 31.2 | Very low | 28.7 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | cis | -168.1 | 155.5 | -11.4 | -90.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 471 | S | 32.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | 66.4 | 151.4 | 157.4 | -57.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 472 | G | 27.7 | Very low | 29 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | cis | 159.8 | 179.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 473 | S | 29.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 70.9 | 156.3 | 160.3 | -62.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 474 | L | 29.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | cis | -170.5 | 152.9 | -30.4 | -111.5 | 167.9 | 0 | 0 | 0 | 109.4 | ||||
| 475 | V | 31.9 | Very low | 30.2 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 66.1 | 144.1 | 160.7 | 177.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 476 | G | 25.9 | Very low | 30.1 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | cis | 168.5 | 163.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 477 | H | 31.3 | Very low | 30.2 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | 27.5 | 129.8 | 157.8 | -57.8 | 100.7 | 0 | 0 | 0 | 124.5 | ||||
| 478 | A | 27.5 | Very low | 30.3 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | -180 | 134.4 | 101.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 479 | R | 32.9 | Very low | 30.4 | Very low | 254 Ų | 254 | 122.5 Ų | 122.5 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | 27.9 | 149.9 | 148.7 | -80.9 | -179.7 | 173.8 | 170.3 | -2.1 | 122.8 | ||||
| 480 | A | 26.6 | Very low | 30.5 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | cis | -159.3 | 170.8 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 481 | G | 22.9 | Very low | 31.5 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -100.1 | -147.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 482 | P | 55.9 | Low | 31.3 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | -109.3 | -143 | 10.8 | 39 | -23.6 | 0 | 0 | 0 | 112 | ||||
| 483 | S | 26.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | cis | -162.3 | 175.4 | 5.8 | 31.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 484 | A | 31.3 | Very low | 31.1 | Very low | 89 Ų | 89 | 126.2 Ų | 126.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -129.1 | 176.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 485 | P | 45.8 | Very low | 31 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | -155.8 | 149.3 | 88.2 | 37.9 | -17.9 | 0 | 0 | 0 | 119 | |||||
| 486 | W | 26.3 | Very low | 30.8 | Very low | 233 Ų | 233 | 124.4 Ų | 124.4 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | 59.9 | 137.3 | 137.5 | -65.9 | 47.6 | 0 | 0 | 0 | 119.3 | ||||
| 487 | Q | 25.4 | Very low | 30.8 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | cis | -138.9 | -159.4 | 0.6 | -46.1 | -179 | 29.3 | 0 | 0 | 108.4 | ||||
| 488 | G | 25.5 | Very low | 30.6 | Very low | 66 Ų | 66 | 118.8 Ų | 118.8 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | cis | 168.4 | 158.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 489 | A | 26.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | trans | 61.8 | 158.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 490 | V | 27.8 | Very low | 30.2 | Very low | 139 Ų | 139 | 108.2 Ų | 108.2 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | trans | -162.3 | -177.7 | -171 | -124.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 491 | P | 51.8 | Low | 30.3 | Very low | 114 Ų | 114 | 109.7 Ų | 109.7 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | cis | -140.5 | -175.9 | -12.4 | 35.3 | -13.1 | 0 | 0 | 0 | 117 | ||||
| 492 | S | 28.3 | Very low | 30.6 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 103.3 | 124.1 | 132.8 | -147.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 493 | S | 27.1 | Very low | 29.1 | Very low | 65 Ų | 65 | 116.1 Ų | 116.1 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | trans | 52.1 | 124.5 | 131.5 | -56.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 494 | R | 27.3 | Very low | 29.1 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | trans | 65.1 | 177.3 | 138.6 | -61.5 | -174 | -142.4 | -162.1 | 8 | 116.2 | ||||
| 495 | R | 26.9 | Very low | 28.8 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 54% | 0.536 | 68% | 0.681 | S | S | . | * | cis | -150.3 | 145.2 | -34.3 | -126.3 | -169.1 | 176.4 | -169.9 | -0.1 | 110 | F770 E771 | R495-F770 WeakPolarHBondContact O-CE1 3.35Å; R495-E771 HydrophobicContact CB-CG 3.43Å; R495-E771 VanDerWaalsContact CB-CG 3.43Å; R495-E771 PolarHBondContact N-OE1 2.86Å; R495-E771 WeakPolarHBondContact O-CG 3.38Å | ||
| 496 | L | 26.9 | Very low | 27.7 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 58% | 0.581 | 69% | 0.685 | S | S | * | * | trans | 56.4 | -171.7 | 161.3 | -49.5 | 170.3 | 0 | 0 | 0 | 112.7 | F770 | L496-F770 HydrophobicContact CB-CD1 4.38Š| ||
| 497 | S | 26 | Very low | 27.9 | Very low | 38 Ų | 38 | 118.9 Ų | 118.9 | 27% | 0.266 | 68% | 0.679 | S | S | . | * | cis | -156 | 167.3 | -18.1 | -145.8 | 0 | 0 | 0 | 0 | 110.8 | G769 F770 | S497-G769 WeakPolarHBondContact CB-O 3.46Å; S497-G769 PolarHBondContact OG-O 3.35Å; S497-F770 VanDerWaalsContact CB-CD2 3.48Å | ||
| 498 | L | 27.6 | Very low | 29 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 51% | 0.508 | 67% | 0.672 | S | S | . | * | trans | 77.7 | -171.3 | 154.9 | -74.7 | 86.3 | 0 | 0 | 0 | 118.1 | P767 E768 | L498-P767 HydrophobicContact CD1-CG 3.96Å; L498-P767 HydrophobicContact CD2-CG 3.99Å; L498-E768 WeakPolarHBondContact CA-OE2 3.22Å; L498-E768 HydrophobicContact CB-CB 4.07Å; L498-E768 HydrophobicContact CB-CG 3.92Å; L498-E768 VanDerWaalsContact CB-OE1 3.29Å; L498-E768 WeakPolarHBondContact CB-OE1 3.27Å; L498-E768 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 499 | G | 24.3 | Very low | 29.1 | Very low | 59 Ų | 59 | 121.3 Ų | 121.3 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | cis | 178.1 | 107.1 | -10.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 500 | G | 27.5 | Very low | 29 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | trans | 65.1 | 174.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 501 | T | 29.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | cis | -170.7 | 121.2 | -41.9 | 11.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 502 | R | 28.4 | Very low | 28.7 | Very low | 234 Ų | 234 | 122 Ų | 122 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | trans | 61.8 | 174.3 | 159.9 | -52.7 | -179.4 | 171.2 | 172.6 | -2.5 | 115.6 | ||||
| 503 | T | 24.5 | Very low | 28.7 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | cis | -157.1 | 170.4 | 10.8 | -28.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 504 | F | 25.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 79% | 0.789 | 69% | 0.692 | S | S | * | * | trans | 70.9 | 167.9 | 166.5 | -57.5 | -69.3 | 0 | 0 | 0 | 119.1 | ||||
| 505 | Q | 26.6 | Very low | 28.6 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | 169.3 | 160.4 | -56.9 | -172.7 | -176.8 | 3.4 | 0 | 0 | 109 | |||||
| 506 | I | 23 | Very low | 28.7 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | trans | 97.8 | 140.1 | 164.3 | -52 | 179.5 | 0 | 0 | 0 | 116.1 | ||||
| 507 | S | 28.8 | Very low | 28.7 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -94.8 | -144.6 | -177.5 | -36.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 508 | P | 50.2 | Low | 28.9 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -144.3 | -160.8 | 14.9 | 34.9 | -7.4 | 0 | 0 | 0 | 116.8 | ||||
| 509 | Q | 26.8 | Very low | 28.9 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | 99.5 | 143 | 159.5 | -52 | -170.3 | 0.1 | 0 | 0 | 119.7 | ||||
| 510 | G | 23.5 | Very low | 29.1 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -119.2 | -135.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 511 | P | 45.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | cis | -139.4 | -146.7 | 3.6 | 44 | -23.4 | 0 | 0 | 0 | 113.9 | ||||
| 512 | Q | 28.9 | Very low | 29.1 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 108.5 | 109.1 | 169.5 | -63.6 | -171.3 | 1.5 | 0 | 0 | 115.4 | ||||
| 513 | H | 26.3 | Very low | 28.9 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | 82.6 | 135.5 | 85.4 | -98.7 | -117.4 | 0 | 0 | 0 | 114 | |||||
| 514 | V | 27.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | cis | -162.1 | 153.9 | -6.3 | 85 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 515 | E | 26.8 | Very low | 29.9 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 29.9 | 156 | 148.4 | -77.9 | -179.9 | 126.5 | 0 | 0 | 124.9 | ||||
| 516 | S | 28.6 | Very low | 30.1 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | cis | -165.5 | 168.1 | -4.1 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 517 | R | 27.8 | Very low | 31.1 | Very low | 219 Ų | 219 | 140.7 Ų | 140.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 31 | 153 | 145 | -73.6 | 179.2 | 171.3 | 163.4 | -2.7 | 121.8 | ||||
| 518 | Q | 29.6 | Very low | 31 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | cis | -161.6 | 146.5 | 17.1 | -136.4 | 165.9 | -29.7 | 0 | 0 | 114.4 | ||||
| 519 | T | 27.7 | Very low | 30 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 41.5 | 136.7 | 146.9 | 48.7 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 520 | S | 28.2 | Very low | 30 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 90.1 | 109.9 | 133 | 51.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 521 | Q | 29.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 88.4 | 119.5 | 128.6 | -74.3 | -168.4 | -4.2 | 0 | 0 | 124.4 | |||||
| 522 | Q | 26.6 | Very low | 29.3 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 85.9 | 130 | 139.3 | -68.1 | -175.7 | 1 | 0 | 0 | 122.7 | ||||
| 523 | Q | 25 | Very low | 29.3 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -81.5 | -179.2 | 173.8 | -99.2 | -178.7 | -29 | 0 | 0 | 111.5 | ||||
| 524 | P | 45.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -140.2 | 176.5 | 15.7 | 31.5 | -7.9 | 0 | 0 | 0 | 118.9 | ||||
| 525 | Q | 25.3 | Very low | 29.1 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 105.9 | 132.4 | 150 | -57.7 | -154.6 | 0.6 | 0 | 0 | 120.9 | ||||
| 526 | A | 30.3 | Very low | 29.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | 62.1 | 176.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 527 | P | 45.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | cis | -129.9 | -167.6 | -21.3 | 39.7 | -23.4 | 0 | 0 | 0 | 112.9 | ||||
| 528 | G | 25.6 | Very low | 29.7 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | 104 | 154.6 | 128 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 529 | L | 30.7 | Very low | 29.6 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | trans | -94.3 | 148.6 | 168.8 | -73.9 | 72.1 | 0 | 0 | 0 | 109.9 | ||||
| 530 | G | 25.4 | Very low | 29.6 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | -177.7 | 105 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 531 | T | 28.8 | Very low | 29.5 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -68.2 | 164.8 | 164.2 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 532 | R | 25.8 | Very low | 29.3 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | cis | -169.2 | 153.8 | 25.2 | -142.8 | 169.1 | -172.8 | -123 | 3.8 | 112.7 | ||||
| 533 | L | 29.2 | Very low | 29.3 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 59% | 0.592 | 77% | 0.766 | S | S | * | * | trans | 31.8 | 132.7 | 146.5 | -72.3 | 169 | 0 | 0 | 0 | 123.3 | ||||
| 534 | H | 24.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | -129.5 | 135.8 | 116 | -81.1 | -97.9 | 0 | 0 | 0 | 106.9 | |||||
| 535 | S | 26.2 | Very low | 28.3 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 57% | 0.566 | 77% | 0.771 | S | S | * | * | cis | 72.7 | 101.4 | 46.8 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 536 | A | 32.4 | Very low | 28.1 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 69.1 | 121.3 | 65.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 537 | P | 36.5 | Very low | 27.8 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -140.7 | 174.1 | 135.6 | 33.8 | -17.8 | 0 | 0 | 0 | 112.7 | ||||
| 538 | C | 26.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | cis | -176.6 | 165.1 | -27.7 | -89.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 539 | L | 26.4 | Very low | 26.7 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | -156.8 | -142.3 | -27.4 | -95.1 | 169.5 | 0 | 0 | 0 | 104 | ||||
| 540 | L | 28.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | -161.9 | 100.3 | -1.1 | -171.6 | 77 | 0 | 0 | 0 | 111.5 | ||||
| 541 | D | 25.5 | Very low | 26.4 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 58.3 | -170.7 | 146.7 | -55.6 | -36.1 | 0 | 0 | 0 | 118.5 | ||||
| 542 | C | 26.4 | Very low | 26.1 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | cis | -159.1 | 148 | 11.3 | -150.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 543 | A | 25.8 | Very low | 26.2 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | trans | 58.5 | 167.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 544 | T | 25.3 | Very low | 26 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | cis | -148.3 | 165.8 | -1.4 | -21.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 545 | G | 23.1 | Very low | 26 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -110.2 | 161.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 546 | G | 23 | Very low | 26 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -179.1 | 88.8 | 178 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 547 | S | 22.5 | Very low | 25.7 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 45.7 | 124.4 | 132.7 | -156.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 548 | R | 23.6 | Very low | 25.9 | Very low | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | 60.6 | 142.4 | 146.2 | -65.8 | 172.6 | 173 | -173.4 | -1 | 118.3 | ||||
| 549 | Q | 25.5 | Very low | 25.9 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | cis | -150.6 | 157.7 | 37.2 | -68 | -173.5 | 35.7 | 0 | 0 | 109.6 | ||||
| 550 | K | 22.7 | Very low | 25.8 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | cis | 88 | 146 | 45.1 | -142.9 | -176.4 | -172.9 | -175.8 | 0 | 113.9 | ||||
| 551 | I | 26 | Very low | 25.8 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 139.1 | 175.1 | -60 | 165.9 | 0 | 0 | 0 | 113.7 | ||||
| 552 | K | 23.6 | Very low | 27.2 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | cis | -151.6 | 148.8 | -8.8 | -121.4 | 170.9 | -172.3 | -175.3 | 0 | 104.9 | ||||
| 553 | K | 26.4 | Very low | 28.1 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | cis | 65.2 | 137 | 39.9 | -153.2 | 178.3 | -174.5 | -174.9 | 0 | 115.7 | ||||
| 554 | Q | 25.7 | Very low | 28 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 102.2 | 133.2 | -177.6 | -63 | -176.9 | -78.9 | 0 | 0 | 112.2 | ||||
| 555 | H | 24.1 | Very low | 28 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | -144.5 | -175.6 | -12.8 | -100.4 | -60.5 | 0 | 0 | 0 | 107.1 | ||||
| 556 | S | 27.1 | Very low | 28.2 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | cis | -149.9 | 176.2 | 20.8 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 557 | D | 26 | Very low | 28.4 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -123.3 | 175.4 | 154.7 | -125.8 | -43.7 | 0 | 0 | 0 | 105.7 | ||||
| 558 | P | 39.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -149.5 | 153.9 | 42.7 | 41.4 | -19.7 | 0 | 0 | 0 | 119.8 | ||||
| 559 | V | 26.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | 29 | 126.3 | 125.3 | -169.2 | 0 | 0 | 0 | 0 | 120.7 | V561 | V559-V561 HydrophobicContact CG1-CG2 3.79Š| |||
| 560 | A | 24.4 | Very low | 28.7 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -142.7 | 152 | 141.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 561 | V | 29.1 | Very low | 29.4 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -135.1 | -166.2 | -176.2 | -142.7 | 0 | 0 | 0 | 0 | 110.7 | V559 | V559-V561 HydrophobicContact CG1-CG2 3.79Š| ||
| 562 | P | 54.3 | Low | 29.4 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -97.2 | -156.7 | -138.5 | 44.1 | -26.4 | 0 | 0 | 0 | 112.2 | ||||
| 563 | P | 45.9 | Very low | 29.5 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -145.3 | -170.8 | 1.8 | 43.3 | -22.4 | 0 | 0 | 0 | 118.4 | ||||
| 564 | A | 25 | Very low | 29.4 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 83.7 | 156.5 | 144 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 565 | G | 24.6 | Very low | 29.8 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 92.2 | 112.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 566 | L | 26.1 | Very low | 30.3 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | cis | 98.9 | 90.6 | 15.6 | -154.3 | 152.8 | 0 | 0 | 0 | 115.8 | ||||
| 567 | M | 26.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 62.6 | 158.8 | 163.1 | -54.7 | -65.3 | 161.2 | 0 | 0 | 116.5 | ||||
| 568 | T | 24.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | cis | -157.6 | 174.9 | 16.7 | -25.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 569 | L | 25.1 | Very low | 30 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | 83.7 | 137 | 152.9 | -70.4 | 165.1 | 0 | 0 | 0 | 122.3 | ||||
| 570 | R | 28.5 | Very low | 30.2 | Very low | 233 Ų | 233 | 133.5 Ų | 133.5 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -101.7 | -174.1 | 164.9 | -93.9 | -178 | 177.7 | 174.8 | -0.7 | 107.7 | ||||
| 571 | P | 39.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -147.3 | -163.8 | 22.7 | 33.5 | -6.3 | 0 | 0 | 0 | 116.9 | ||||
| 572 | L | 24.7 | Very low | 30.3 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 72.8 | 142.8 | 167.4 | -46.6 | 173 | 0 | 0 | 0 | 114.6 | ||||
| 573 | H | 25.6 | Very low | 29.2 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | cis | -155.1 | 173.2 | -4.5 | -115.3 | -27.8 | 0 | 0 | 0 | 107.1 | ||||
| 574 | S | 24.6 | Very low | 28.4 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | cis | -164.2 | 171.7 | -3.3 | 41.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 575 | S | 33.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -152.9 | 150 | 169.9 | -47.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 576 | P | 36.2 | Very low | 29.4 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -113.1 | 151.6 | 140.1 | -5.5 | 26.8 | 0 | 0 | 0 | 111.2 | ||||
| 577 | R | 29 | Very low | 29.9 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | cis | 72 | 136.8 | 41.9 | -83.4 | -169.5 | 174.3 | -159.9 | -1.9 | 113.2 | ||||
| 578 | L | 27.4 | Very low | 30.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -139.1 | 170 | 6.9 | -85.3 | 127.6 | 0 | 0 | 0 | 108.6 | ||||
| 579 | S | 29.4 | Very low | 30.5 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | 66.6 | 145.8 | 45.2 | -70.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 580 | E | 29.7 | Very low | 30.6 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -174.2 | 169.9 | -4.2 | -107.2 | 169.4 | 79.6 | 0 | 0 | 107.6 | ||||
| 581 | L | 28.4 | Very low | 30.5 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | cis | -173.3 | 178.6 | -13 | -167.3 | 63.6 | 0 | 0 | 0 | 108.5 | ||||
| 582 | M | 27.3 | Very low | 29.8 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | 75.5 | 163.1 | 156.5 | -61.9 | -150.8 | 155.2 | 0 | 0 | 119.4 | ||||
| 583 | Q | 31.2 | Very low | 30 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | cis | -158.3 | 159 | -10.8 | -122.7 | 177.5 | 12.1 | 0 | 0 | 115.3 | ||||
| 584 | R | 29.3 | Very low | 30.8 | Very low | 207 Ų | 207 | 137.5 Ų | 137.5 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 15.2 | 134.1 | 148.5 | -75.5 | 176.8 | 168.1 | 158.9 | -4.2 | 125 | ||||
| 585 | N | 34.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | 27.8 | 138 | 121.4 | -63.3 | 16.4 | 0 | 0 | 0 | 120.9 | |||||
| 586 | P | 36.9 | Very low | 30.6 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -145.6 | 179.3 | 77.8 | 40.8 | -24.1 | 0 | 0 | 0 | 117.4 | |||||
| 587 | L | 35.6 | Very low | 30.2 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -86.2 | 157.9 | 168.8 | -68.5 | 166.4 | 0 | 0 | 0 | 110.9 | ||||
| 588 | P | 36.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -148.3 | 169.6 | 94.1 | 39.5 | -22.4 | 0 | 0 | 0 | 117.8 | |||||
| 589 | T | 26.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -44.4 | 151.4 | 169.5 | -38.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 590 | I | 27.9 | Very low | 30.3 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | 177.1 | 124.3 | 124 | -91.4 | 159.4 | 0 | 0 | 0 | 114.5 | |||||
| 591 | L | 25.4 | Very low | 30.1 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | 28.6 | 134.1 | 142.7 | -136.1 | 74.8 | 0 | 0 | 0 | 122.6 | ||||
| 592 | G | 26.2 | Very low | 29.9 | Very low | 83 Ų | 83 | 146.2 Ų | 146.2 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | 165.9 | 84.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 593 | S | 27.1 | Very low | 29.9 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -122.2 | 178.2 | 162.9 | 67.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 594 | P | 42.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | cis | -137 | -179 | 0.6 | 43.7 | -27.6 | 0 | 0 | 0 | 115.2 | ||||
| 595 | S | 27.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -156.7 | 156.3 | 150.5 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 596 | R | 27.3 | Very low | 29.4 | Very low | 254 Ų | 254 | 143.3 Ų | 143.3 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -102.8 | 147.8 | -168.4 | -72.6 | 170.7 | 162 | 170.4 | -7.7 | 113.6 | ||||
| 597 | A | 26.7 | Very low | 29 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -151.4 | 165.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 598 | I | 30.2 | Very low | 29.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -117 | 150.1 | -166.4 | -74.4 | 174.7 | 0 | 0 | 0 | 110.4 | ||||
| 599 | P | 30.2 | Very low | 29.5 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 163.6 | -159 | 37.2 | -37.2 | 0 | 0 | 0 | 115.8 | ||
| 600 | P | 28.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 163.9 | 165.3 | 36.3 | -34 | 0 | 0 | 0 | 113 | ||
| 601 | F | 24.1 | Very low | 31.6 | Very low | 202 Ų | 202 | 127.7 Ų | 127.7 | 89% | 0.886 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.1 | -179.3 | -90.3 | -128.2 | 0 | 0 | 0 | 114.4 | ||
| 602 | E | 24.4 | Very low | 33.1 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 128.7 | 167.4 | -170.4 | 175.5 | -163.9 | 0 | 0 | 110.3 | K605 | E602-K605 IonicContact OE1-NZ 2.75Å; E602-K605 PolarHBondContact OE1-NZ 3.01Å |
| 603 | F | 27.2 | Very low | 34.4 | Very low | 182 Ų | 182 | 118 Ų | 118 | 80% | 0.798 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -86 | 142.9 | 169 | -86.7 | -92.4 | 0 | 0 | 0 | 110.4 | K605 | F603-K605 PolarHBondContact O-N 3.03Š|
| 604 | P | 27.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 116 Ų | 116 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 128.4 | -178.9 | 26.1 | -34.1 | 0 | 0 | 0 | 111.8 | ||
| 605 | K | 26.6 | Very low | 36.3 | Very low | 161 Ų | 161 | 113.3 Ų | 113.3 | 70% | 0.7 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.3 | 173.1 | -67.7 | 160.2 | 178.6 | 121.8 | 0 | 110 | E602 F603 | E602-K605 IonicContact OE1-NZ 2.75Å; E602-K605 PolarHBondContact OE1-NZ 3.01Å; F603-K605 PolarHBondContact O-N 3.03Å |
| 606 | P | 31.4 | Very low | 37.5 | Very low | 119 Ų | 119 | 108.4 Ų | 108.4 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.3 | 173.9 | 28.2 | -34.4 | 0 | 0 | 0 | 110.5 | ||
| 607 | P | 29 | Very low | 38.7 | Very low | 121 Ų | 121 | 100.4 Ų | 100.4 | 79% | 0.786 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 161.9 | 178.1 | 30.3 | -35.5 | 0 | 0 | 0 | 112.1 | ||
| 608 | S | 40.1 | Very low | 39.5 | Very low | 80 Ų | 80 | 103.1 Ų | 103.1 | 56% | 0.559 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -54.7 | 157.6 | 170.3 | 54 | 0 | 0 | 0 | 0 | 112.6 | ||
| 609 | S | 42 | Very low | 40 | Very low | 40 Ų | 40 | 101.7 Ų | 101.7 | 28% | 0.28 | 55% | 0.552 | S | S | . | * | trans | -41 | 127.1 | -178.6 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | N611 | S609-N611 PolarHBondContact O-N 3.05Š| ||
| 610 | P | 46.6 | Very low | 40.4 | Very low | 75 Ų | 75 | 99.3 Ų | 99.3 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | trans | -70.2 | 132.7 | 180 | 28.5 | -33.9 | 0 | 0 | 0 | 110.9 | T614 | P610-T614 HydrophobicContact CB-CG2 4.46Š| ||
| 611 | N | 51.8 | Low | 41.2 | Very low | 57 Ų | 57 | 98.3 Ų | 98.3 | 31% | 0.305 | 54% | 0.536 | S | S | . | . | trans | -60.5 | 149.6 | 168.3 | -76.1 | -24 | 0 | 0 | 0 | 110.1 | S609 V613 T614 F615 | S609-N611 PolarHBondContact O-N 3.05Å; N611-V613 PolarHBondContact O-N 2.93Å; N611-V613 VanDerWaalsContact O-N 3.09Å; N611-T614 WeakPolarHBondContact O-CA 3.27Å; N611-T614 VanDerWaalsContact O-CB 3.31Å; N611-T614 WeakPolarHBondContact O-CB 3.26Å; N611-T614 PolarHBondContact O-N 3.41Å; N611-F615 PolarHBondContact O-N 3Å | ||
| 612 | L | 57.7 | Low | 41.7 | Very low | 7 Ų | 7 | 93.5 Ų | 93.5 | 4% | 0.037 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -55.6 | -33.9 | -175.7 | -175.5 | 144.9 | 0 | 0 | 0 | 112.9 | F615 L616 L873 V874 F934 I944 | L612-F615 PolarHBondContact O-N 2.83Å; L612-L616 HydrophobicContact CD2-CD1 3.68Å; L612-L616 HydrophobicContact CD2-CG 4.38Å; L612-L616 WeakPolarHBondContact O-CG 3.33Å; L612-L616 PolarHBondContact O-N 3.35Å; L612-L873 HydrophobicContact CD1-CD2 4.13Å; L612-L873 HydrophobicContact CD1-CG 4.36Å; L612-V874 HydrophobicContact CB-CG2 4.27Å; L612-V874 HydrophobicContact CD1-CG2 3.64Å; L612-F934 HydrophobicContact CD2-CE2 4.15Å; L612-F934 HydrophobicContact CD2-CZ 3.82Å; L612-I944 HydrophobicContact CB-CG2 4.48Å; L612-I944 HydrophobicContact CD2-CG2 3.85Å |
| 613 | V | 54.3 | Low | 42.2 | Very low | 48 Ų | 48 | 93 Ų | 93 | 29% | 0.291 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 172.9 | -176 | 0 | 0 | 0 | 0 | 111.4 | N611 F615 L616 T617 M941 I944 | N611-V613 PolarHBondContact O-N 2.93Å; N611-V613 VanDerWaalsContact O-N 3.09Å; V613-F615 VanDerWaalsContact C-N 3.31Å; V613-F615 PolarHBondContact O-N 2.87Å; V613-L616 PolarHBondContact O-N 3.33Å; V613-T617 PolarHBondContact O-N 2.91Å; V613-T617 PolarHBondContact O-OG1 3.24Å; V613-T617 VanDerWaalsContact O-OG1 3.07Å; V613-M941 HydrophobicContact CG2-CE 3.97Å; V613-M941 HydrophobicContact CG2-SD 4.29Å; V613-I944 HydrophobicContact CG2-CG2 4.47Å |
| 614 | T | 56.6 | Low | 42.4 | Very low | 75 Ų | 75 | 87.4 Ų | 87.4 | 46% | 0.46 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | -179.6 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | P610 N611 T617 Q618 | P610-T614 HydrophobicContact CB-CG2 4.46Å; N611-T614 WeakPolarHBondContact O-CA 3.27Å; N611-T614 VanDerWaalsContact O-CB 3.31Å; N611-T614 WeakPolarHBondContact O-CB 3.26Å; N611-T614 PolarHBondContact O-N 3.41Å; T614-T617 PolarHBondContact O-N 3.47Å; T614-Q618 WeakPolarHBondContact O-CB 3.29Å; T614-Q618 PolarHBondContact O-N 3.34Å |
| 615 | F | 53.2 | Low | 42.5 | Very low | 63 Ų | 63 | 87.4 Ų | 87.4 | 28% | 0.276 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.3 | -177.3 | -98.7 | 0 | 0 | 0 | 112.6 | N611 L612 V613 Q618 K619 L877 | N611-F615 PolarHBondContact O-N 3Å; L612-F615 PolarHBondContact O-N 2.83Å; V613-F615 VanDerWaalsContact C-N 3.31Å; V613-F615 PolarHBondContact O-N 2.87Å; F615-Q618 PolarHBondContact O-N 2.9Å; F615-K619 PolarHBondContact O-N 3.27Å; F615-L877 HydrophobicContact CD1-CD1 4.3Å; F615-L877 HydrophobicContact CE1-CD1 4.37Å; F615-L877 HydrophobicContact CE1-CD2 4.03Å; F615-L877 HydrophobicContact CE2-CD2 4.28Å; F615-L877 HydrophobicContact CZ-CD2 3.81Å |
| 616 | L | 52.9 | Low | 42.8 | Very low | 20 Ų | 20 | 85.5 Ų | 85.5 | 11% | 0.105 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 175.4 | -69.1 | 172.9 | 0 | 0 | 0 | 112.2 | L612 V613 K619 F934 | L612-L616 HydrophobicContact CD2-CD1 3.68Å; L612-L616 HydrophobicContact CD2-CG 4.38Å; L612-L616 WeakPolarHBondContact O-CG 3.33Å; L612-L616 PolarHBondContact O-N 3.35Å; V613-L616 PolarHBondContact O-N 3.33Å; L616-K619 PolarHBondContact O-N 3.09Å; L616-F934 HydrophobicContact CD1-CD2 3.85Å; L616-F934 HydrophobicContact CD1-CE2 3.74Å |
| 617 | T | 51.2 | Low | 42.5 | Very low | 86 Ų | 86 | 83.7 Ų | 83.7 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 172.2 | -46.8 | 0 | 0 | 0 | 0 | 111.3 | V613 T614 K619 G620 | V613-T617 PolarHBondContact O-N 2.91Å; V613-T617 PolarHBondContact O-OG1 3.24Å; V613-T617 VanDerWaalsContact O-OG1 3.07Å; T614-T617 PolarHBondContact O-N 3.47Å; T617-K619 PolarHBondContact O-N 3.04Å; T617-K619 VanDerWaalsContact O-N 3.12Å; T617-G620 PolarHBondContact O-N 3.42Å |
| 618 | Q | 43.7 | Very low | 42.4 | Very low | 160 Ų | 160 | 83.7 Ų | 83.7 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -15.1 | -180 | -136.9 | 175.5 | 17.3 | 0 | 0 | 113.7 | T614 F615 | T614-Q618 WeakPolarHBondContact O-CB 3.29Å; T614-Q618 PolarHBondContact O-N 3.34Å; F615-Q618 PolarHBondContact O-N 2.9Å |
| 619 | K | 41.8 | Very low | 41.8 | Very low | 137 Ų | 137 | 91.3 Ų | 91.3 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -4.3 | 174.2 | -81.2 | -77.9 | 175.4 | -179.8 | 0 | 114.6 | F615 L616 T617 L621 | F615-K619 PolarHBondContact O-N 3.27Å; L616-K619 PolarHBondContact O-N 3.09Å; T617-K619 PolarHBondContact O-N 3.04Å; T617-K619 VanDerWaalsContact O-N 3.12Å; K619-L621 VanDerWaalsContact C-N 3.28Å; K619-L621 HydrophobicContact CB-CD1 3.91Å; K619-L621 HydrophobicContact CB-CG 4.11Å; K619-L621 PolarHBondContact O-N 2.99Å |
| 620 | G | 37.4 | Very low | 41 | Very low | 62 Ų | 62 | 96 Ų | 96 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.8 | 15.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | T617 V622 | T617-G620 PolarHBondContact O-N 3.42Å; G620-V622 VanDerWaalsContact C-N 3.31Å; G620-V622 PolarHBondContact O-N 2.8Å |
| 621 | L | 46.3 | Very low | 40 | Very low | 100 Ų | 100 | 96.7 Ų | 96.7 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | trans | -88.2 | 9.8 | -174.5 | -68 | 169.3 | 0 | 0 | 0 | 114 | K619 | K619-L621 VanDerWaalsContact C-N 3.28Å; K619-L621 HydrophobicContact CB-CD1 3.91Å; K619-L621 HydrophobicContact CB-CG 4.11Å; K619-L621 PolarHBondContact O-N 2.99Å | ||
| 622 | V | 35.5 | Very low | 39.4 | Very low | 102 Ų | 102 | 100.2 Ų | 100.2 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -120.2 | 109.9 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | G620 | G620-V622 VanDerWaalsContact C-N 3.31Å; G620-V622 PolarHBondContact O-N 2.8Å |
| 623 | V | 35 | Very low | 37.9 | Very low | 137 Ų | 137 | 102.8 Ų | 102.8 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 122.6 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 624 | G | 30.9 | Very low | 36.5 | Very low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 625 | S | 27.8 | Very low | 35 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.5 | -179.8 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 626 | P | 33.2 | Very low | 33.9 | Very low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 156.9 | 176.9 | 34.9 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 627 | G | 26.1 | Very low | 32.7 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | 103.3 | 99.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 628 | S | 25.6 | Very low | 31.6 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | -153.4 | 122.4 | 125.6 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 629 | R | 27.3 | Very low | 30.7 | Very low | 240 Ų | 240 | 122.9 Ų | 122.9 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -129.9 | 104.9 | 164.1 | -93.4 | -170 | 175.1 | -172.9 | -0 | 107.1 | ||||
| 630 | T | 26.5 | Very low | 30 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -171.9 | 138 | 131.6 | 22.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 631 | A | 25.5 | Very low | 29.5 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -97.2 | -171.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 632 | P | 38.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | cis | -138.5 | -171 | 1.6 | 43.6 | -25.8 | 0 | 0 | 0 | 114.9 | ||||
| 633 | G | 25.5 | Very low | 28.8 | Very low | 62 Ų | 62 | 130.3 Ų | 130.3 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | 120.1 | 118.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 634 | E | 26.2 | Very low | 28.5 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | 52.9 | 154 | 120.5 | -67.2 | -167.5 | 156 | 0 | 0 | 121.8 | |||||
| 635 | L | 25.7 | Very low | 29 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | cis | -175.5 | 131.3 | -17.7 | 171.8 | 121.4 | 0 | 0 | 0 | 109.1 | ||||
| 636 | R | 29.5 | Very low | 28.8 | Very low | 221 Ų | 221 | 129.9 Ų | 129.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 61.6 | 179.5 | 164.6 | -79.2 | -179.9 | -166.8 | 174 | 2.2 | 116.5 | ||||
| 637 | D | 26.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | cis | -172.3 | 160.7 | -40.2 | -174.2 | 16.3 | 0 | 0 | 0 | 108.4 | ||||
| 638 | L | 27.8 | Very low | 28.7 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 62.3 | 162.9 | 173.9 | -59.9 | 138.9 | 0 | 0 | 0 | 116.4 | ||||
| 639 | G | 26.6 | Very low | 28.9 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 175.5 | 142.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 640 | Q | 27.1 | Very low | 28.8 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 59.8 | 119.8 | 152.9 | -65.1 | 179.1 | -10 | 0 | 0 | 124.3 | ||||
| 641 | Q | 25.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 70.6 | 103.6 | 127.2 | -64.9 | 175.9 | -34.6 | 0 | 0 | 124.6 | |||||
| 642 | A | 26 | Very low | 28.4 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | 67.2 | 170.2 | 119.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 643 | P | 41.3 | Very low | 28 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -134.3 | 156.3 | -23.4 | 32.5 | -13.7 | 0 | 0 | 0 | 116.9 | ||||
| 644 | A | 29 | Very low | 27.8 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 63.3 | 167.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 645 | P | 40.7 | Very low | 27.7 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | -132.2 | -179.3 | -28.1 | 33.1 | -14.3 | 0 | 0 | 0 | 115.6 | ||||
| 646 | S | 25.1 | Very low | 27.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 104.7 | 151.6 | 146.8 | 81.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 647 | T | 28.4 | Very low | 27.3 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | 65.9 | 101.6 | 175.1 | 41.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 648 | H | 27.8 | Very low | 27.3 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 2.4 | 160.2 | 142 | -53.8 | -79.5 | 0 | 0 | 0 | 122.2 | ||||
| 649 | P | 29.7 | Very low | 27.2 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | cis | -137.5 | -178.6 | -28.4 | 37.2 | -19 | 0 | 0 | 0 | 114.4 | ||||
| 650 | A | 24.8 | Very low | 27.1 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 52.1 | 84.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 651 | C | 21.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 95% | 0.946 | 76% | 0.76 | S | S | * | * | 45.3 | 87.8 | 86 | -68.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 652 | C | 22.9 | Very low | 26.9 | Very low | 116 Ų | 116 | 126 Ų | 126 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -95.1 | 133.3 | 155.6 | -145.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 653 | V | 29.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | trans | 63.1 | 136.7 | 158.4 | 176.3 | 0 | 0 | 0 | 0 | 118 | R655 | V653-R655 HydrophobicContact CG1-CG 4.42Š| ||
| 654 | H | 22.4 | Very low | 26.3 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | -156.8 | 127 | 126.2 | -103.1 | 47.3 | 0 | 0 | 0 | 106.9 | |||||
| 655 | R | 22.9 | Very low | 26.2 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | 68.7 | 148.9 | 72.5 | -78.2 | -163.9 | 178.8 | 151.3 | -14.9 | 112.4 | V653 | V653-R655 HydrophobicContact CG1-CG 4.42Š| |||
| 656 | A | 23.4 | Very low | 25.5 | Very low | 79 Ų | 79 | 135 Ų | 135 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | cis | -169.5 | -160.7 | -16.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 657 | N | 24.8 | Very low | 25.7 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | cis | -154.2 | 160.1 | -8.4 | -152 | 57.8 | 0 | 0 | 0 | 105.9 | D659 | N657-D659 PolarHBondContact ND2-OD2 2.77Š| ||
| 658 | D | 24.8 | Very low | 25.9 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | -157.3 | 151.1 | 124.2 | -140.7 | -12.1 | 0 | 0 | 0 | 111.9 | |||||
| 659 | D | 27.2 | Very low | 26.3 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | trans | -129.2 | 124 | -174.2 | -100.1 | -67.1 | 0 | 0 | 0 | 110.4 | N657 | N657-D659 PolarHBondContact ND2-OD2 2.77Š| ||
| 660 | G | 24 | Very low | 26.3 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -157.5 | 75.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S662 | G660-S662 PolarHBondContact O-N 3.37Š| ||
| 661 | R | 26.6 | Very low | 27 | Very low | 216 Ų | 216 | 133.8 Ų | 133.8 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | trans | -62.9 | 131.8 | -172.2 | -65.9 | 177 | 177.1 | -176.7 | 0 | 113.9 | ||||
| 662 | S | 22.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -123.5 | 117 | 147.2 | 62.4 | 0 | 0 | 0 | 0 | 109.7 | G660 | G660-S662 PolarHBondContact O-N 3.37Š| ||
| 663 | F | 26.2 | Very low | 28.6 | Very low | 188 Ų | 188 | 126.1 Ų | 126.1 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | -84.3 | 132.8 | 177.6 | -104.3 | -104.4 | 0 | 0 | 0 | 111 | ||||
| 664 | G | 27.9 | Very low | 29.1 | Very low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | trans | 101.8 | 84.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 665 | R | 26.7 | Very low | 29.9 | Very low | 253 Ų | 253 | 123.5 Ų | 123.5 | 96% | 0.955 | 67% | 0.672 | S | S | * | * | trans | -159.3 | 153.5 | 140.8 | -116 | 171.4 | 179.5 | -179.3 | -2.6 | 110.9 | ||||
| 666 | S | 27.2 | Very low | 30.7 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | trans | -64.4 | 145.2 | 178.7 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | S668 | S666-S668 VanDerWaalsContact C-N 3.32Å; S666-S668 PolarHBondContact O-N 2.86Å | ||
| 667 | Q | 29 | Very low | 31.7 | Very low | 202 Ų | 202 | 114.3 Ų | 114.3 | 94% | 0.944 | 63% | 0.626 | S | S | * | * | trans | -76.4 | 83.7 | 168.3 | -67.2 | -178.2 | 2.2 | 0 | 0 | 109.5 | ||||
| 668 | S | 31.8 | Very low | 32.6 | Very low | 81 Ų | 81 | 112.5 Ų | 112.5 | 57% | 0.566 | 61% | 0.614 | S | S | * | * | trans | -75.2 | 126.9 | 178.2 | 42.5 | 0 | 0 | 0 | 0 | 112.1 | S666 G670 | S666-S668 VanDerWaalsContact C-N 3.32Å; S666-S668 PolarHBondContact O-N 2.86Å; S668-G670 PolarHBondContact O-N 3.33Å | ||
| 669 | A | 36.2 | Very low | 33.2 | Very low | 37 Ų | 37 | 107 Ų | 107 | 31% | 0.306 | 59% | 0.591 | S | S | . | * | trans | 46.3 | 4.2 | 139.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | R671 L672 D999 | A669-R671 VanDerWaalsContact C-N 3.27Å; A669-R671 PolarHBondContact O-N 2.96Å; A669-L672 HydrophobicContact CB-CD1 3.8Å; A669-L672 HydrophobicContact CB-CG 4.16Å; A669-L672 WeakPolarHBondContact O-CG 3.28Å; A669-L672 PolarHBondContact O-N 2.99Å; A669-D999 VanDerWaalsContact CB-CG 3.49Å; A669-D999 WeakPolarHBondContact CB-OD1 3.49Å; A669-D999 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 670 | G | 30.2 | Very low | 33.5 | Very low | 69 Ų | 69 | 102.4 Ų | 102.4 | 71% | 0.711 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 65 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S668 | S668-G670 PolarHBondContact O-N 3.33Š|
| 671 | R | 38.2 | Very low | 34.4 | Very low | 202 Ų | 202 | 103.4 Ų | 103.4 | 76% | 0.762 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.9 | 10.7 | 162.1 | -97.6 | 156.5 | -158.3 | -86.9 | 6.1 | 114.5 | A669 S673 | A669-R671 VanDerWaalsContact C-N 3.27Å; A669-R671 PolarHBondContact O-N 2.96Å; R671-S673 VanDerWaalsContact C-N 3.26Å; R671-S673 PolarHBondContact O-N 3.11Å; R671-S673 VanDerWaalsContact O-N 3.12Å |
| 672 | L | 38.6 | Very low | 34.9 | Very low | 55 Ų | 55 | 93.7 Ų | 93.7 | 29% | 0.288 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.4 | -170.9 | -68.6 | -175.2 | 0 | 0 | 0 | 115.7 | A669 F954 | A669-L672 HydrophobicContact CB-CD1 3.8Å; A669-L672 HydrophobicContact CB-CG 4.16Å; A669-L672 WeakPolarHBondContact O-CG 3.28Å; A669-L672 PolarHBondContact O-N 2.99Å; L672-F954 HydrophobicContact CB-CE1 4.28Å; L672-F954 HydrophobicContact CB-CZ 4.23Å; L672-F954 HydrophobicContact CD2-CD1 3.97Å; L672-F954 HydrophobicContact CD2-CE1 3.93Å; L672-F954 WeakPolarHBondContact O-CZ 3.42Å |
| 673 | S | 40.8 | Very low | 35.5 | Very low | 40 Ų | 40 | 91 Ų | 91 | 28% | 0.28 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -33.2 | -175.8 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | R671 L677 | R671-S673 VanDerWaalsContact C-N 3.26Å; R671-S673 PolarHBondContact O-N 3.11Å; R671-S673 VanDerWaalsContact O-N 3.12Å; S673-L677 PolarHBondContact O-N 3.06Å |
| 674 | D | 39.6 | Very low | 36 | Very low | 87 Ų | 87 | 84.9 Ų | 84.9 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | -169.1 | -76.1 | -32.4 | 0 | 0 | 0 | 113.5 | L676 M678 | D674-L676 VanDerWaalsContact C-N 3.34Å; D674-L676 PolarHBondContact O-N 3.36Å; D674-M678 WeakPolarHBondContact O-CB 3.29Å; D674-M678 VanDerWaalsContact O-CG 3.28Å; D674-M678 WeakPolarHBondContact O-CG 3.35Å; D674-M678 PolarHBondContact O-N 3.43Å |
| 675 | M | 39.7 | Very low | 36.3 | Very low | 115 Ų | 115 | 90.7 Ų | 90.7 | 57% | 0.567 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -34.7 | -176 | -88.8 | -150.6 | 73.5 | 0 | 0 | 113 | A679 | M675-A679 WeakPolarHBondContact O-CB 3.03Å; M675-A679 PolarHBondContact O-N 2.91Å |
| 676 | L | 38.9 | Very low | 36.3 | Very low | 6 Ų | 6 | 83.7 Ų | 83.7 | 3% | 0.031 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -80 | -36.1 | -178.3 | -120.6 | 161.4 | 0 | 0 | 0 | 112.1 | D674 A679 A680 F954 V958 V961 M987 C1006 | D674-L676 VanDerWaalsContact C-N 3.34Å; D674-L676 PolarHBondContact O-N 3.36Å; L676-A679 PolarHBondContact O-N 3.23Å; L676-A680 VanDerWaalsContact O-CB 3.31Å; L676-A680 WeakPolarHBondContact O-CB 3.34Å; L676-A680 PolarHBondContact O-N 3.01Å; L676-F954 HydrophobicContact CD1-CE2 3.93Å; L676-F954 HydrophobicContact CD1-CZ 3.81Å; L676-V958 HydrophobicContact CD1-CG2 3.61Å; L676-V958 HydrophobicContact CG-CG2 4Å; L676-V961 HydrophobicContact CD2-CG1 4.19Å; L676-M987 HydrophobicContact CD1-CE 3.35Å; L676-C1006 HydrophobicContact CD1-CB 4.08Å |
| 677 | L | 44.2 | Very low | 36.4 | Very low | 78 Ų | 78 | 82.9 Ų | 82.9 | 41% | 0.408 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 168.6 | -81.6 | 161.6 | 0 | 0 | 0 | 111.4 | S673 F681 G682 | S673-L677 PolarHBondContact O-N 3.06Å; L677-F681 PolarHBondContact O-N 2.96Å; L677-F681 VanDerWaalsContact O-N 3.09Å; L677-G682 PolarHBondContact O-N 2.75Å |
| 678 | M | 44.2 | Very low | 36.4 | Very low | 82 Ų | 82 | 82.8 Ų | 82.8 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.9 | -73 | -68.1 | 168.8 | 0 | 0 | 112.9 | D674 G682 A683 | D674-M678 WeakPolarHBondContact O-CB 3.29Å; D674-M678 VanDerWaalsContact O-CG 3.28Å; D674-M678 WeakPolarHBondContact O-CG 3.35Å; D674-M678 PolarHBondContact O-N 3.43Å; M678-G682 VanDerWaalsContact O-CA 3.31Å; M678-G682 WeakPolarHBondContact O-CA 3.49Å; M678-G682 PolarHBondContact O-N 2.68Å; M678-A683 HydrophobicContact CE-CB 3.88Å; M678-A683 HydrophobicContact SD-CB 3.84Å |
| 679 | A | 37.1 | Very low | 36.1 | Very low | 42 Ų | 42 | 91 Ų | 91 | 35% | 0.347 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.3 | -33.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M675 L676 | M675-A679 WeakPolarHBondContact O-CB 3.03Å; M675-A679 PolarHBondContact O-N 2.91Å; L676-A679 PolarHBondContact O-N 3.23Å |
| 680 | A | 35 | Very low | 35.6 | Very low | 34 Ų | 34 | 93 Ų | 93 | 28% | 0.281 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -94.4 | -20.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K48 L676 | K48-A680 PolarHBondContact NZ-O 3.26Å; L676-A680 VanDerWaalsContact O-CB 3.31Å; L676-A680 WeakPolarHBondContact O-CB 3.34Å; L676-A680 PolarHBondContact O-N 3.01Å |
| 681 | F | 41.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 95.8 Ų | 95.8 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -139.4 | -20.9 | -176.3 | -64.9 | -97.7 | 0 | 0 | 0 | 115.1 | K48 L677 C1009 | K48-F681 HydrophobicContact CD-CD1 4.12Å; K48-F681 HydrophobicContact CD-CE1 4.31Å; L677-F681 PolarHBondContact O-N 2.96Å; L677-F681 VanDerWaalsContact O-N 3.09Å; F681-C1009 HydrophobicContact CE2-CB 3.88Å; F681-C1009 VanDerWaalsContact CE2-SG 3.55Å; F681-C1009 HydrophobicContact CZ-CB 4.41Å |
| 682 | G | 36.8 | Very low | 34.7 | Very low | 13 Ų | 13 | 90.7 Ų | 90.7 | 13% | 0.134 | 56% | 0.558 | C | S | . | * | trans | 75.5 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L677 M678 G684 | L677-G682 PolarHBondContact O-N 2.75Å; M678-G682 VanDerWaalsContact O-CA 3.31Å; M678-G682 WeakPolarHBondContact O-CA 3.49Å; M678-G682 PolarHBondContact O-N 2.68Å; G682-G684 PolarHBondContact O-N 3.03Å | ||
| 683 | A | 35.4 | Very low | 34 | Very low | 59 Ų | 59 | 97 Ų | 97 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -67.5 | 103.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M678 | M678-A683 HydrophobicContact CE-CB 3.88Å; M678-A683 HydrophobicContact SD-CB 3.84Å |
| 684 | G | 36.1 | Very low | 33.4 | Very low | 60 Ų | 60 | 102.3 Ų | 102.3 | 62% | 0.619 | 61% | 0.612 | S | S | * | * | trans | 171.8 | 42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | G682 | G682-G684 PolarHBondContact O-N 3.03Š| ||
| 685 | H | 34.3 | Very low | 32.7 | Very low | 193 Ų | 193 | 106.6 Ų | 106.6 | 89% | 0.894 | 63% | 0.634 | S | S | * | * | trans | -166.9 | 88.9 | 154.6 | -110.9 | 74.5 | 0 | 0 | 0 | 112.3 | ||||
| 686 | A | 28.6 | Very low | 31.9 | Very low | 107 Ų | 107 | 105.3 Ų | 105.3 | 88% | 0.884 | 64% | 0.641 | S | S | * | * | trans | -166 | 120.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 687 | G | 28.3 | Very low | 31.3 | Very low | 80 Ų | 80 | 111 Ų | 111 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | 150.4 | 20.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 688 | E | 29.9 | Very low | 30.4 | Very low | 200 Ų | 200 | 115.4 Ų | 115.4 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | trans | -121.9 | 81.7 | 167.3 | -86.4 | -159 | 149.3 | 0 | 0 | 112.9 | ||||
| 689 | R | 25.6 | Very low | 29.6 | Very low | 254 Ų | 254 | 120.2 Ų | 120.2 | 96% | 0.958 | 72% | 0.719 | S | S | * | * | trans | 177.7 | 127.8 | 154.1 | -104.8 | -177.1 | 178.8 | -151.1 | 0.1 | 106.4 | ||||
| 690 | G | 24.5 | Very low | 29 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | cis | 163.1 | 120 | -7.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 691 | S | 23 | Very low | 28.7 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | trans | -147.6 | 139.6 | 173 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 692 | A | 26.4 | Very low | 27.9 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -138.2 | 112.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 693 | E | 24.9 | Very low | 27.3 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -149.8 | 155.5 | 161.8 | -130.3 | 164 | -148.4 | 0 | 0 | 110.7 | ||||
| 694 | N | 27 | Very low | 26.9 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -82.4 | 155.9 | -153 | -55.6 | -79.5 | 0 | 0 | 0 | 114.1 | ||||
| 695 | L | 25.4 | Very low | 26.2 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 93% | 0.927 | 83% | 0.829 | S | S | * | * | -158.9 | 145.2 | 120.4 | -108.2 | 166.9 | 0 | 0 | 0 | 110.9 | |||||
| 696 | A | 23.2 | Very low | 27.1 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | trans | -123.3 | 146.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 697 | S | 26.6 | Very low | 27.8 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -160.2 | 79.3 | 169.3 | -78.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 698 | E | 25.2 | Very low | 27.7 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | 7.1 | 123.5 | 142.6 | -162.1 | -169.1 | 159.6 | 0 | 0 | 121.5 | ||||
| 699 | K | 26.4 | Very low | 27.5 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | 169.2 | 119.8 | 128 | -91.4 | 161.8 | -174.8 | 175.5 | 0 | 109.1 | |||||
| 700 | A | 25.6 | Very low | 27.4 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | 68.3 | 139.5 | 76.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 701 | I | 27.1 | Very low | 27.5 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | cis | -151.5 | 138.5 | 33.6 | -65.7 | 164.9 | 0 | 0 | 0 | 111.4 | ||||
| 702 | D | 24.6 | Very low | 27.8 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 38.5 | 171.3 | 148.3 | -50.1 | -17.7 | 0 | 0 | 0 | 122.6 | ||||
| 703 | I | 25.8 | Very low | 28.4 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | cis | -148.1 | 154.3 | 17.6 | -33 | 165.7 | 0 | 0 | 0 | 113.1 | ||||
| 704 | T | 25.5 | Very low | 28.4 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | 86.7 | 133.4 | 151.2 | 16.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 705 | A | 21.8 | Very low | 28.4 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -167 | -168.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 706 | P | 53.5 | Low | 28.4 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | cis | -109.9 | -109.1 | -18.3 | 38.6 | -19.8 | 0 | 0 | 0 | 108.6 | ||||
| 707 | P | 43.9 | Very low | 28.5 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -107.4 | -176.2 | -24.3 | 42 | -30.2 | 0 | 0 | 0 | 112.8 | ||||
| 708 | G | 26.4 | Very low | 29.1 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | cis | 166.3 | 144.6 | -16.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 709 | G | 25.4 | Very low | 29.1 | Very low | 89 Ų | 89 | 119 Ų | 119 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | trans | 86.2 | 144.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 710 | G | 24.1 | Very low | 29.1 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 169 | 158.6 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 711 | F | 25.9 | Very low | 29.2 | Very low | 221 Ų | 221 | 121.5 Ų | 121.5 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | trans | 77.2 | 155.8 | 160.3 | -58.9 | -79.9 | 0 | 0 | 0 | 123 | ||||
| 712 | A | 28.8 | Very low | 29.1 | Very low | 89 Ų | 89 | 120 Ų | 120 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -143.6 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 713 | P | 38.6 | Very low | 29 | Very low | 132 Ų | 132 | 122 Ų | 122 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | -162.9 | -177.6 | 72 | 43.4 | -20.7 | 0 | 0 | 0 | 119.3 | |||||
| 714 | G | 26.3 | Very low | 29 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 81.4 | 164.6 | 152 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 715 | S | 25.7 | Very low | 29.1 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | cis | -169.3 | 154.6 | -17.9 | -160.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 716 | C | 25.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 120 Ų | 120 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 68.8 | 149.4 | 158 | -66.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 717 | S | 26.2 | Very low | 28 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -108.9 | -165.8 | 171.2 | -33 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 718 | P | 37.9 | Very low | 28.8 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | cis | -138.2 | -155.7 | 31.3 | 42.6 | -20.2 | 0 | 0 | 0 | 115.4 | ||||
| 719 | A | 26.4 | Very low | 29.4 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -121.7 | 172.5 | -165 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 720 | Q | 27 | Very low | 29.7 | Very low | 194 Ų | 194 | 123.6 Ų | 123.6 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -150.6 | 173.6 | 158.3 | -115.3 | -178.4 | 17.8 | 0 | 0 | 111.9 | ||||
| 721 | V | 26 | Very low | 29.9 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -139.9 | 159.9 | -165.7 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 722 | V | 25.2 | Very low | 30 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | 142.5 | 124.9 | 136.4 | 171.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 723 | F | 23.4 | Very low | 30 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | trans | 67.4 | 134.6 | 150.6 | -74.4 | -38.1 | 0 | 0 | 0 | 128.6 | ||||
| 724 | T | 26 | Very low | 30.7 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 84.5 | 114.3 | 132.1 | 50 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 725 | V | 27.2 | Very low | 31.3 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | 68.2 | 128.3 | 124.1 | 178.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 726 | G | 24.4 | Very low | 31.4 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 164.2 | 130.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 727 | S | 27.9 | Very low | 31.5 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -137.7 | -174.7 | 179.2 | -40 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 728 | P | 60.4 | Low | 31.6 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -118.2 | -167 | -125.3 | 39.5 | -20.2 | 0 | 0 | 0 | 114.9 | |||||
| 729 | P | 39.8 | Very low | 31.3 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | -145.6 | 172.1 | 127.3 | 37 | -21.1 | 0 | 0 | 0 | 118.1 | |||||
| 730 | S | 31.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -49 | 170.5 | 177.5 | -40.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 731 | G | 28 | Very low | 31.7 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -168.2 | -156.3 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 732 | S | 28.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | cis | -155.5 | -143.5 | -1.3 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 733 | T | 28.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -148.1 | -154.8 | -168.3 | 50.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 734 | P | 52.8 | Low | 32 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | -127 | -163.2 | -86.3 | 41.8 | -24 | 0 | 0 | 0 | 114.8 | |||||
| 735 | P | 39.3 | Very low | 32 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -141.1 | 165.2 | 135.2 | 38 | -24.2 | 0 | 0 | 0 | 119.2 | ||||
| 736 | Q | 27.8 | Very low | 32 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -70.3 | -162.5 | -172.3 | -72.7 | -170 | 19.4 | 0 | 0 | 118.6 | ||||
| 737 | T | 27.3 | Very low | 32.1 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | 172.7 | 136.5 | -74.5 | 44.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 738 | S | 27.7 | Very low | 32.1 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -172.8 | 141.9 | 152.1 | 43.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 739 | R | 32.1 | Very low | 30.6 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | cis | 87 | 143.5 | 29.1 | -66.6 | -176.5 | 170.9 | -169.7 | -2.6 | 113.2 | ||||
| 740 | H | 31.1 | Very low | 30 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | cis | -167.1 | 179.9 | 13.9 | -129.8 | -10.4 | 0 | 0 | 0 | 109.3 | ||||
| 741 | R | 30.9 | Very low | 29.9 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | cis | -166.8 | 164 | -7.9 | -161.9 | -169.3 | -68 | 160.6 | 1.5 | 108.2 | ||||
| 742 | K | 27.4 | Very low | 30.5 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | 130 | 140.7 | 150.6 | -72.7 | -173.5 | -176.3 | -177.9 | 0 | 113 | ||||
| 743 | C | 28.2 | Very low | 30.6 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | cis | -155.7 | 165.5 | -13.9 | -106.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 744 | S | 25.4 | Very low | 30.6 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -124.1 | 161.2 | 174.9 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 745 | G | 25.4 | Very low | 29.4 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -150.8 | 146.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 746 | S | 27.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -98 | 162.8 | -168.4 | -59.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 747 | F | 27.4 | Very low | 28.9 | Very low | 210 Ų | 210 | 132 Ų | 132 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -74.6 | 153.3 | 172 | -60.5 | -90.5 | 0 | 0 | 0 | 112.6 | ||||
| 748 | S | 27.5 | Very low | 28.9 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -118 | 134.4 | 165.5 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 749 | S | 29.7 | Very low | 29 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -85.5 | 145.7 | 171 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 750 | G | 27.5 | Very low | 28.8 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -142.5 | 122.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 751 | S | 29.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -86.4 | 139.9 | 177.5 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 752 | P | 40.3 | Very low | 30.1 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -89.1 | 126.6 | 168.7 | 33.2 | -30.4 | 0 | 0 | 0 | 111.6 | ||||
| 753 | A | 30.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -133.9 | 138.6 | 159 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 754 | G | 28 | Very low | 29.9 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -118.4 | 155.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 755 | S | 27.9 | Very low | 30 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -169.5 | 131.8 | 131.6 | -140.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 756 | L | 27.9 | Very low | 30 | Very low | 146 Ų | 146 | 129 Ų | 129 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | 48.9 | 115.1 | 141 | -63.4 | 172.5 | 0 | 0 | 0 | 123.5 | ||||
| 757 | T | 28.2 | Very low | 30.6 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | 56 | 123.7 | 129.7 | 62.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 758 | S | 27.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | -170.6 | -173.9 | 97.6 | -160.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 759 | R | 29.5 | Very low | 30.4 | Very low | 197 Ų | 197 | 118.8 Ų | 118.8 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -114.3 | 160.7 | -167.5 | -55.5 | -175.3 | -174.2 | -178.7 | 3.4 | 115.8 | ||||
| 760 | Y | 28.7 | Very low | 30.2 | Very low | 200 Ų | 200 | 118.5 Ų | 118.5 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | 83.4 | 156.8 | 149.3 | -69.7 | -44.5 | 0 | 0 | 0 | 120.3 | ||||
| 761 | P | 42.7 | Very low | 30 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | trans | -130.6 | -143.4 | -154 | 46.4 | -26.1 | 0 | 0 | 0 | 109.6 | ||||
| 762 | P | 46 | Very low | 29.8 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | cis | -110 | -170.2 | -31 | 35.9 | -17.8 | 0 | 0 | 0 | 110.1 | ||||
| 763 | T | 27.7 | Very low | 30.1 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 80% | 0.798 | 68% | 0.675 | S | S | * | * | 178.2 | 139 | 86.2 | -62.1 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 764 | G | 24.3 | Very low | 30 | Very low | 55 Ų | 55 | 114.2 Ų | 114.2 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | -102.5 | -176.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 765 | T | 26.7 | Very low | 29.8 | Very low | 122 Ų | 122 | 115 Ų | 115 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | 83.7 | 142.8 | 174.3 | 70.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 766 | F | 25.1 | Very low | 30.6 | Very low | 184 Ų | 184 | 115 Ų | 115 | 81% | 0.807 | 66% | 0.662 | S | S | * | * | cis | -141 | -175.3 | 1.9 | -107.1 | -34.9 | 0 | 0 | 0 | 111.1 | ||||
| 767 | P | 41.2 | Very low | 30.4 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | trans | -116.2 | -137.7 | -159.4 | 34.8 | -11.7 | 0 | 0 | 0 | 112.9 | L498 | L498-P767 HydrophobicContact CD1-CG 3.96Å; L498-P767 HydrophobicContact CD2-CG 3.99Å | ||
| 768 | E | 23.8 | Very low | 30.2 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 55% | 0.547 | 67% | 0.671 | S | S | . | * | trans | 83.7 | 132.6 | 173.3 | -165.8 | 167 | 18.5 | 0 | 0 | 117 | L498 | L498-E768 WeakPolarHBondContact CA-OE2 3.22Å; L498-E768 HydrophobicContact CB-CB 4.07Å; L498-E768 HydrophobicContact CB-CG 3.92Å; L498-E768 VanDerWaalsContact CB-OE1 3.29Å; L498-E768 WeakPolarHBondContact CB-OE1 3.27Å; L498-E768 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 769 | G | 25.4 | Very low | 30 | Very low | 39 Ų | 39 | 121.8 Ų | 121.8 | 40% | 0.402 | 66% | 0.659 | S | S | . | * | cis | 127.4 | 114.3 | -27.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S497 | S497-G769 WeakPolarHBondContact CB-O 3.46Å; S497-G769 PolarHBondContact OG-O 3.35Å | ||
| 770 | F | 25.8 | Very low | 29.9 | Very low | 121 Ų | 121 | 121 Ų | 121 | 53% | 0.531 | 66% | 0.661 | S | S | . | * | trans | -178.8 | 129 | 154.9 | -101.3 | -69.9 | 0 | 0 | 0 | 107.6 | R495 L496 S497 | R495-F770 WeakPolarHBondContact O-CE1 3.35Å; L496-F770 HydrophobicContact CB-CD1 4.38Å; S497-F770 VanDerWaalsContact CB-CD2 3.48Å | ||
| 771 | E | 23.5 | Very low | 29.8 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 44% | 0.439 | 67% | 0.667 | S | S | . | * | 72 | 156.6 | 109.1 | -83 | -164.3 | 147.4 | 0 | 0 | 116.9 | R495 | R495-E771 HydrophobicContact CB-CG 3.43Å; R495-E771 VanDerWaalsContact CB-CG 3.43Å; R495-E771 PolarHBondContact N-OE1 2.86Å; R495-E771 WeakPolarHBondContact O-CG 3.38Å | |||
| 772 | A | 24.4 | Very low | 28.9 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | cis | -137.1 | -171.3 | 6.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 773 | P | 46.5 | Very low | 29.1 | Very low | 47 Ų | 47 | 119.7 Ų | 119.7 | 31% | 0.305 | 67% | 0.668 | S | S | . | * | trans | -126.9 | 169.1 | -178.5 | 44 | -33.4 | 0 | 0 | 0 | 117.1 | ||||
| 774 | P | 29 | Very low | 29.4 | Very low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | -141.6 | -169.8 | 125.8 | 37.1 | -22.1 | 0 | 0 | 0 | 114.8 | |||||
| 775 | S | 23.9 | Very low | 29.6 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 66% | 0.664 | 68% | 0.68 | S | S | * | * | trans | -145.4 | -168.7 | 176.6 | -36.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 776 | P | 44.8 | Very low | 30 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | cis | -135.3 | -170.1 | -25 | 32.9 | -10.9 | 0 | 0 | 0 | 114 | ||||
| 777 | R | 24.2 | Very low | 30.5 | Very low | 227 Ų | 227 | 122 Ų | 122 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | trans | 77 | 120.4 | 159.3 | -60 | 177.3 | -179.2 | 167.5 | 0.1 | 120.5 | ||||
| 778 | Y | 24.1 | Very low | 30.2 | Very low | 224 Ų | 224 | 126.1 Ų | 126.1 | 88% | 0.878 | 70% | 0.697 | S | S | * | * | -155.5 | -174.1 | 98.8 | -121.4 | -87.1 | 0 | 0 | 0 | 110.3 | |||||
| 779 | S | 22 | Very low | 30.7 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | -143.4 | 148.2 | -155.8 | 55.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 780 | F | 27.3 | Very low | 31 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 56.7 | 125.7 | 150.3 | -102.2 | -91.7 | 0 | 0 | 0 | 121 | ||||
| 781 | T | 27.4 | Very low | 31.6 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | -166 | 170.8 | 126.3 | 10.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 782 | D | 25.1 | Very low | 32.5 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -98.7 | 171.1 | -155.4 | -98.3 | -42.4 | 0 | 0 | 0 | 116.5 | ||||
| 783 | P | 49.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -94.8 | -164.1 | -172.3 | 39.4 | -37.8 | 0 | 0 | 0 | 114.7 | ||||
| 784 | I | 33.2 | Very low | 33.5 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 88.5 | 105.6 | 175.8 | -50.5 | 166.3 | 0 | 0 | 0 | 114.8 | ||||
| 785 | T | 30 | Very low | 34.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | -178.6 | 160.4 | 120.1 | -72.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 786 | A | 34.1 | Very low | 34.9 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | 79.5 | 143.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 787 | N | 36.4 | Very low | 35.1 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -139 | -179.5 | -167.6 | -179.3 | 25 | 0 | 0 | 0 | 108.8 | ||||
| 788 | M | 33.7 | Very low | 36.1 | Very low | 173 Ų | 173 | 135 Ų | 135 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | 77.9 | 142.5 | 171.7 | -65 | -70.2 | -171.7 | 0 | 0 | 117 | ||||
| 789 | G | 35.3 | Very low | 37.5 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | 133.2 | -2.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 790 | G | 32 | Very low | 39.3 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -118.6 | 94.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 791 | A | 37 | Very low | 40.7 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -75.3 | 124.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T793 | A791-T793 PolarHBondContact O-N 2.81Å; A791-T793 VanDerWaalsContact O-N 3.09Å | ||
| 792 | V | 43.3 | Very low | 42.1 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -79 | 91.7 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | F794 | V792-F794 PolarHBondContact O-N 3.41Å; V792-F794 VanDerWaalsContact O-N 3.1Å | ||
| 793 | T | 43.7 | Very low | 43.7 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -67.3 | 104.3 | 173.3 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | A791 E795 | A791-T793 PolarHBondContact O-N 2.81Å; A791-T793 VanDerWaalsContact O-N 3.09Å; T793-E795 PolarHBondContact O-N 2.98Å; T793-E795 VanDerWaalsContact O-N 3.09Å | ||
| 794 | F | 48.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 118.5 Ų | 118.5 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -72.1 | 96.6 | 165.3 | 177.9 | -98.7 | 0 | 0 | 0 | 108.4 | V792 A796 | V792-F794 PolarHBondContact O-N 3.41Å; V792-F794 VanDerWaalsContact O-N 3.1Å; F794-A796 HydrophobicContact CD1-CB 4.23Å; F794-A796 HydrophobicContact CE1-CB 3.8Å; F794-A796 PolarHBondContact O-N 3.11Å | ||
| 795 | E | 41.7 | Very low | 46 | Very low | 182 Ų | 182 | 113.2 Ų | 113.2 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | trans | -72.8 | 103.4 | 169.3 | -168.1 | 163.7 | -128.8 | 0 | 0 | 108 | T793 | T793-E795 PolarHBondContact O-N 2.98Å; T793-E795 VanDerWaalsContact O-N 3.09Å | ||
| 796 | A | 39.7 | Very low | 48.3 | Very low | 62 Ų | 62 | 112.6 Ų | 112.6 | 51% | 0.512 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -68 | 136.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | F794 E798 | F794-A796 HydrophobicContact CD1-CB 4.23Å; F794-A796 HydrophobicContact CE1-CB 3.8Å; F794-A796 PolarHBondContact O-N 3.11Å; A796-E798 PolarHBondContact O-N 2.72Å |
| 797 | P | 49.5 | Very low | 50.5 | Low | 110 Ų | 110 | 113.7 Ų | 113.7 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131 | 174.1 | -24 | 33.6 | 0 | 0 | 0 | 110.5 | L799 | P797-L799 PolarHBondContact O-N 3.33Š|
| 798 | E | 45.6 | Very low | 52.7 | Low | 191 Ų | 191 | 110.3 Ų | 110.3 | 89% | 0.893 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.6 | 174.9 | -66.9 | -171.7 | 148.6 | 0 | 0 | 109.2 | A796 | A796-E798 PolarHBondContact O-N 2.72Š|
| 799 | L | 53.6 | Low | 55.2 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 55% | 0.55 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 134.5 | 169.8 | -68.8 | 173.4 | 0 | 0 | 0 | 107.5 | P797 E801 | P797-L799 PolarHBondContact O-N 3.33Å; L799-E801 PolarHBondContact O-N 3.3Å |
| 800 | P | 60.4 | Low | 57.5 | Low | 80 Ų | 80 | 99.1 Ų | 99.1 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 138.2 | 175.4 | -27.6 | 33.9 | 0 | 0 | 0 | 110.6 | E802 T803 | P800-E802 PolarHBondContact O-N 2.94Å; P800-T803 WeakPolarHBondContact CD-OG1 3.49Å; P800-T803 VanDerWaalsContact O-CB 3.26Å; P800-T803 WeakPolarHBondContact O-CB 3.34Å; P800-T803 PolarHBondContact O-N 3.36Å; P800-T803 PolarHBondContact O-OG1 3.26Å |
| 801 | E | 56.7 | Low | 60.2 | Low | 122 Ų | 122 | 99.3 Ų | 99.3 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -45.4 | -41.8 | -177.8 | -169.3 | 176 | -146.1 | 0 | 0 | 111.8 | L799 T803 L804 M805 S902 | L799-E801 PolarHBondContact O-N 3.3Å; E801-T803 PolarHBondContact O-N 3.25Å; E801-T803 VanDerWaalsContact O-N 3.16Å; E801-L804 PolarHBondContact O-N 3.45Å; E801-M805 WeakPolarHBondContact O-CG 3.39Å; E801-S902 WeakPolarHBondContact OE2-CB 3.37Å |
| 802 | E | 56.4 | Low | 62.6 | Low | 16 Ų | 16 | 95.4 Ų | 95.4 | 8% | 0.075 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -53.6 | -27.9 | 174.4 | -66.2 | 164.8 | -146.2 | 0 | 0 | 115.6 | P800 L804 M805 T810 R817 T904 | P800-E802 PolarHBondContact O-N 2.94Å; E802-L804 PolarHBondContact O-N 2.83Å; E802-M805 WeakPolarHBondContact O-CB 3.47Å; E802-M805 PolarHBondContact O-N 2.76Å; E802-T810 HydrophobicContact CB-CG2 4.27Å; E802-T810 WeakPolarHBondContact O-CG2 3.35Å; E802-R817 IonicContact OE1-CZ 3.61Å; E802-R817 IonicContact OE1-NH2 2.73Å; E802-R817 PolarHBondContact OE1-NH2 3.1Å; E802-R817 IonicContact OE2-CZ 3.61Å; E802-R817 IonicContact OE2-NH1 2.85Å; E802-R817 PolarHBondContact OE2-NH1 3.02Å; E802-R817 IonicContact OE2-NH2 3.1Å; E802-R817 PolarHBondContact OE2-NH2 2.62Å; E802-T904 WeakPolarHBondContact OE1-CB 3.42Å; E802-T904 PolarHBondContact OE1-OG1 3.2Å |
| 803 | T | 57.9 | Low | 64.8 | Low | 67 Ų | 67 | 88.6 Ų | 88.6 | 41% | 0.411 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -70.2 | -17.8 | -177.2 | -35.2 | 0 | 0 | 0 | 0 | 112.5 | P800 E801 | P800-T803 WeakPolarHBondContact CD-OG1 3.49Å; P800-T803 VanDerWaalsContact O-CB 3.26Å; P800-T803 WeakPolarHBondContact O-CB 3.34Å; P800-T803 PolarHBondContact O-N 3.36Å; P800-T803 PolarHBondContact O-OG1 3.26Å; E801-T803 PolarHBondContact O-N 3.25Å; E801-T803 VanDerWaalsContact O-N 3.16Å |
| 804 | L | 61.6 | Low | 66.9 | Low | 150 Ų | 150 | 88 Ų | 88 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -106.5 | 11.7 | 177.8 | -64.8 | 171.4 | 0 | 0 | 0 | 112.2 | E801 E802 | E801-L804 PolarHBondContact O-N 3.45Å; E802-L804 PolarHBondContact O-N 2.83Å |
| 805 | M | 69 | Low | 68.9 | Low | 47 Ų | 47 | 88 Ų | 88 | 23% | 0.232 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -105.9 | 160.5 | -175.3 | -63.3 | -171.2 | 74.4 | 0 | 0 | 112.8 | E801 E802 H809 Y900 | E801-M805 WeakPolarHBondContact O-CG 3.39Å; E802-M805 WeakPolarHBondContact O-CB 3.47Å; E802-M805 PolarHBondContact O-N 2.76Å; M805-H809 HydrophobicContact CB-CB 4.23Å; M805-H809 HydrophobicContact CE-CB 4.31Å; M805-H809 PolarHBondContact SD-CD2 2.91Å; M805-Y900 HydrophobicContact CE-CD2 3.27Å; M805-Y900 HydrophobicContact CE-CE2 4.14Å; M805-Y900 HydrophobicContact CE-CG 3.65Å |
| 806 | E | 77.9 | Confident | 71.3 | Confident | 120 Ų | 120 | 79.7 Ų | 79.7 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | trans | -57.6 | 150.4 | -179.7 | -59.7 | -174 | 155.2 | 0 | 0 | 113 | E808 H809 T810 | E806-E808 VanDerWaalsContact C-N 3.28Å; E806-E808 PolarHBondContact O-N 2.96Å; E806-H809 VanDerWaalsContact O-CB 3.29Å; E806-H809 WeakPolarHBondContact O-CB 3.37Å; E806-H809 PolarHBondContact O-N 3.43Å; E806-T810 PolarHBondContact O-N 3.29Å; E806-T810 PolarHBondContact O-OG1 3.08Å | ||
| 807 | Q | 80.8 | Confident | 73.8 | Confident | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.2 | -40.3 | -178.9 | -168.9 | 65.6 | 45.3 | 0 | 0 | 112.2 | H809 T810 D811 | Q807-H809 PolarHBondContact O-N 3.39Å; Q807-T810 WeakPolarHBondContact CA-OG1 3.29Å; Q807-T810 PolarHBondContact O-N 2.84Å; Q807-T810 PolarHBondContact O-OG1 3.36Å; Q807-T810 VanDerWaalsContact O-OG1 3.09Å; Q807-D811 PolarHBondContact NE2-OD1 2.82Å; Q807-D811 WeakPolarHBondContact O-CB 3.39Å; Q807-D811 PolarHBondContact O-N 3.16Å |
| 808 | E | 82.6 | Confident | 75.9 | Confident | 75 Ų | 75 | 78 Ų | 78 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -32.4 | 176.4 | -71.1 | -166.5 | 148.1 | 0 | 0 | 113.1 | E806 T812 K898 | E806-E808 VanDerWaalsContact C-N 3.28Å; E806-E808 PolarHBondContact O-N 2.96Å; E808-T812 VanDerWaalsContact O-CB 3.3Å; E808-T812 WeakPolarHBondContact O-CB 3.42Å; E808-T812 PolarHBondContact O-N 2.82Å; E808-T812 VanDerWaalsContact O-N 3.15Å; E808-T812 PolarHBondContact O-OG1 2.83Å; E808-K898 IonicContact OE1-NZ 2.59Å; E808-K898 PolarHBondContact OE1-NZ 2.65Å; E808-K898 WeakPolarHBondContact OE2-CD 3.38Å; E808-K898 WeakPolarHBondContact OE2-CE 3.23Å; E808-K898 VanDerWaalsContact OE2-CG 3.27Å; E808-K898 WeakPolarHBondContact OE2-CG 3.35Å; E808-K898 IonicContact OE2-NZ 2.69Å; E808-K898 PolarHBondContact OE2-NZ 2.95Å |
| 809 | H | 85.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.8 | -54.1 | 175.8 | -178.2 | 81.9 | 0 | 0 | 0 | 110.1 | M805 E806 Q807 D811 T812 V813 Y900 | M805-H809 HydrophobicContact CB-CB 4.23Å; M805-H809 HydrophobicContact CE-CB 4.31Å; M805-H809 PolarHBondContact SD-CD2 2.91Å; E806-H809 VanDerWaalsContact O-CB 3.29Å; E806-H809 WeakPolarHBondContact O-CB 3.37Å; E806-H809 PolarHBondContact O-N 3.43Å; Q807-H809 PolarHBondContact O-N 3.39Å; H809-D811 PolarHBondContact O-N 3.22Å; H809-T812 PolarHBondContact O-N 3.42Å; H809-T812 VanDerWaalsContact O-N 3.15Å; H809-V813 WeakPolarHBondContact NE2-CG2 3.42Å; H809-V813 WeakPolarHBondContact O-CG2 3.38Å; H809-V813 PolarHBondContact O-N 2.85Å; H809-Y900 PolarHBondContact CE1-O 3.41Å; H809-Y900 AromaticContact ND1-CD2 3.98Å; H809-Y900 PolarHBondContact ND1-N 2.84Å |
| 810 | T | 85.1 | Confident | 80 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | -176.7 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | E802 E806 Q807 T812 V813 Q814 | E802-T810 HydrophobicContact CB-CG2 4.27Å; E802-T810 WeakPolarHBondContact O-CG2 3.35Å; E806-T810 PolarHBondContact O-N 3.29Å; E806-T810 PolarHBondContact O-OG1 3.08Å; Q807-T810 WeakPolarHBondContact CA-OG1 3.29Å; Q807-T810 PolarHBondContact O-N 2.84Å; Q807-T810 PolarHBondContact O-OG1 3.36Å; Q807-T810 VanDerWaalsContact O-OG1 3.09Å; T810-T812 VanDerWaalsContact C-N 3.34Å; T810-T812 PolarHBondContact O-N 3.19Å; T810-V813 PolarHBondContact O-N 3.21Å; T810-Q814 WeakPolarHBondContact O-CB 3.46Å; T810-Q814 VanDerWaalsContact O-CG 3.28Å; T810-Q814 WeakPolarHBondContact O-CG 3.5Å; T810-Q814 PolarHBondContact O-N 2.88Å |
| 811 | D | 87 | Confident | 81.5 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 172.3 | -70 | -10.5 | 0 | 0 | 0 | 111.8 | Q807 H809 Q814 R815 | Q807-D811 PolarHBondContact NE2-OD1 2.82Å; Q807-D811 WeakPolarHBondContact O-CB 3.39Å; Q807-D811 PolarHBondContact O-N 3.16Å; H809-D811 PolarHBondContact O-N 3.22Å; D811-Q814 PolarHBondContact O-N 2.85Å; D811-R815 WeakPolarHBondContact O-CB 3.44Å; D811-R815 PolarHBondContact O-N 2.56Å |
| 812 | T | 88.1 | Confident | 83.3 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | E808 H809 T810 R815 L816 R893 L899 | E808-T812 VanDerWaalsContact O-CB 3.3Å; E808-T812 WeakPolarHBondContact O-CB 3.42Å; E808-T812 PolarHBondContact O-N 2.82Å; E808-T812 VanDerWaalsContact O-N 3.15Å; E808-T812 PolarHBondContact O-OG1 2.83Å; H809-T812 PolarHBondContact O-N 3.42Å; H809-T812 VanDerWaalsContact O-N 3.15Å; T810-T812 VanDerWaalsContact C-N 3.34Å; T810-T812 PolarHBondContact O-N 3.19Å; T812-R815 PolarHBondContact O-N 3.24Å; T812-L816 HydrophobicContact CG2-CD1 4.36Å; T812-L816 VanDerWaalsContact O-CG 3.31Å; T812-L816 WeakPolarHBondContact O-CG 3.22Å; T812-L816 PolarHBondContact O-N 3.46Å; T812-R893 HydrophobicContact CG2-CB 4.29Å; T812-R893 HydrophobicContact CG2-CG 4.1Å; T812-R893 PolarHBondContact OG1-NH1 3.34Å; T812-L899 HydrophobicContact CG2-CD1 3.83Å; T812-L899 HydrophobicContact CG2-CD2 4.19Å; T812-L899 HydrophobicContact CG2-CG 4.46Å |
| 813 | V | 88.5 | Confident | 85 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -44 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | H809 T810 R815 L816 R817 L899 V905 | H809-V813 WeakPolarHBondContact NE2-CG2 3.42Å; H809-V813 WeakPolarHBondContact O-CG2 3.38Å; H809-V813 PolarHBondContact O-N 2.85Å; T810-V813 PolarHBondContact O-N 3.21Å; V813-R815 PolarHBondContact O-N 3.29Å; V813-L816 PolarHBondContact O-N 3.32Å; V813-R817 HydrophobicContact CG1-CG 4.49Å; V813-R817 WeakPolarHBondContact O-CG 3.47Å; V813-R817 PolarHBondContact O-N 2.93Å; V813-L899 HydrophobicContact CG2-CD1 3.83Å; V813-V905 HydrophobicContact CG2-CG2 3.64Å |
| 814 | Q | 89.5 | Confident | 86.7 | Confident | 110 Ų | 110 | 60.1 Ų | 60.1 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.9 | -74.3 | 177.4 | 45.2 | 0 | 0 | 111.4 | T810 D811 L816 R817 F818 | T810-Q814 WeakPolarHBondContact O-CB 3.46Å; T810-Q814 VanDerWaalsContact O-CG 3.28Å; T810-Q814 WeakPolarHBondContact O-CG 3.5Å; T810-Q814 PolarHBondContact O-N 2.88Å; D811-Q814 PolarHBondContact O-N 2.85Å; Q814-L816 VanDerWaalsContact C-N 3.34Å; Q814-L816 PolarHBondContact O-N 2.83Å; Q814-R817 PolarHBondContact O-N 3.01Å; Q814-F818 WeakPolarHBondContact O-CB 3.18Å; Q814-F818 PolarHBondContact O-N 3.16Å |
| 815 | R | 89.9 | Confident | 88 | Confident | 173 Ų | 173 | 53.4 Ų | 53.4 | 65% | 0.653 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.4 | -35.6 | 177 | -168.3 | 171.6 | -177.6 | 169.7 | 0.9 | 112.8 | D811 T812 V813 T819 | D811-R815 WeakPolarHBondContact O-CB 3.44Å; D811-R815 PolarHBondContact O-N 2.56Å; T812-R815 PolarHBondContact O-N 3.24Å; V813-R815 PolarHBondContact O-N 3.29Å; R815-T819 PolarHBondContact O-N 3.19Å; R815-T819 PolarHBondContact O-OG1 3.21Å |
| 816 | L | 91.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.9 | -38.5 | 174.2 | -67.9 | 172 | 0 | 0 | 0 | 112.3 | T812 V813 Q814 L820 A886 A890 L899 V908 L912 | T812-L816 HydrophobicContact CG2-CD1 4.36Å; T812-L816 VanDerWaalsContact O-CG 3.31Å; T812-L816 WeakPolarHBondContact O-CG 3.22Å; T812-L816 PolarHBondContact O-N 3.46Å; V813-L816 PolarHBondContact O-N 3.32Å; Q814-L816 VanDerWaalsContact C-N 3.34Å; Q814-L816 PolarHBondContact O-N 2.83Å; L816-L820 PolarHBondContact O-N 2.72Å; L816-L820 VanDerWaalsContact O-N 3.08Å; L816-A886 HydrophobicContact CD2-CB 4.05Å; L816-A886 WeakPolarHBondContact CD2-O 3.45Å; L816-A890 HydrophobicContact CD1-CB 3.94Å; L816-A890 HydrophobicContact CD2-CB 4.18Å; L816-L899 HydrophobicContact CD1-CD2 4.04Å; L816-V908 HydrophobicContact CB-CG1 3.84Å; L816-L912 HydrophobicContact CB-CD1 4.36Å; L816-L912 HydrophobicContact CD2-CD1 3.94Å |
| 817 | R | 92.5 | Very high | 89.6 | Confident | 89 Ų | 89 | 46.9 Ų | 46.9 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 172.1 | -73.3 | 177.7 | 177.1 | 134.7 | 6.8 | 111.9 | E802 V813 Q814 T819 L820 E821 V908 | E802-R817 IonicContact OE1-CZ 3.61Å; E802-R817 IonicContact OE1-NH2 2.73Å; E802-R817 PolarHBondContact OE1-NH2 3.1Å; E802-R817 IonicContact OE2-CZ 3.61Å; E802-R817 IonicContact OE2-NH1 2.85Å; E802-R817 PolarHBondContact OE2-NH1 3.02Å; E802-R817 IonicContact OE2-NH2 3.1Å; E802-R817 PolarHBondContact OE2-NH2 2.62Å; V813-R817 HydrophobicContact CG1-CG 4.49Å; V813-R817 WeakPolarHBondContact O-CG 3.47Å; V813-R817 PolarHBondContact O-N 2.93Å; Q814-R817 PolarHBondContact O-N 3.01Å; R817-T819 PolarHBondContact O-N 3.47Å; R817-L820 WeakPolarHBondContact O-CB 3.23Å; R817-L820 PolarHBondContact O-N 2.87Å; R817-L820 VanDerWaalsContact O-N 3.16Å; R817-E821 PolarHBondContact O-N 2.65Å; R817-V908 HydrophobicContact CG-CG2 4.23Å |
| 818 | F | 93.8 | Very high | 90 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -48.9 | 176.1 | 175.8 | -86.6 | 0 | 0 | 0 | 111.4 | Q814 L820 E821 F822 L985 E988 L992 | Q814-F818 WeakPolarHBondContact O-CB 3.18Å; Q814-F818 PolarHBondContact O-N 3.16Å; F818-L820 VanDerWaalsContact C-N 3.27Å; F818-L820 PolarHBondContact O-N 2.95Å; F818-E821 PolarHBondContact O-N 3.23Å; F818-F822 HydrophobicContact CE1-CB 4.19Å; F818-F822 HydrophobicContact CZ-CB 4.48Å; F818-F822 WeakPolarHBondContact O-CB 3.28Å; F818-F822 PolarHBondContact O-N 3.07Å; F818-L985 HydrophobicContact CD2-CD1 4.18Å; F818-L985 HydrophobicContact CE2-CD1 3.73Å; F818-L985 HydrophobicContact CZ-CD1 4.22Å; F818-E988 HydrophobicContact CE2-CB 4.17Å; F818-E988 HydrophobicContact CE2-CG 3.78Å; F818-E988 HydrophobicContact CZ-CB 4.15Å; F818-E988 HydrophobicContact CZ-CG 3.86Å; F818-L992 HydrophobicContact CD1-CD1 4.35Å; F818-L992 HydrophobicContact CE1-CD1 3.66Å; F818-L992 HydrophobicContact CZ-CD1 4.25Å |
| 819 | T | 92.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | R815 R817 V823 A886 | R815-T819 PolarHBondContact O-N 3.19Å; R815-T819 PolarHBondContact O-OG1 3.21Å; R817-T819 PolarHBondContact O-N 3.47Å; T819-V823 HydrophobicContact CG2-CG2 4.14Å; T819-V823 WeakPolarHBondContact O-CB 3.22Å; T819-V823 WeakPolarHBondContact O-CG2 3.16Å; T819-V823 PolarHBondContact O-N 3.01Å; T819-A886 HydrophobicContact CG2-CB 3.93Å |
| 820 | L | 92.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -50.3 | 176.1 | 174.8 | 58.9 | 0 | 0 | 0 | 112.1 | L816 R817 F818 V823 L824 R911 L912 L915 | L816-L820 PolarHBondContact O-N 2.72Å; L816-L820 VanDerWaalsContact O-N 3.08Å; R817-L820 WeakPolarHBondContact O-CB 3.23Å; R817-L820 PolarHBondContact O-N 2.87Å; R817-L820 VanDerWaalsContact O-N 3.16Å; F818-L820 VanDerWaalsContact C-N 3.27Å; F818-L820 PolarHBondContact O-N 2.95Å; L820-V823 PolarHBondContact O-N 3.41Å; L820-L824 HydrophobicContact CD1-CD1 4.1Å; L820-L824 HydrophobicContact CD1-CG 4.3Å; L820-L824 HydrophobicContact CG-CD1 4.24Å; L820-L824 VanDerWaalsContact O-CG 3.31Å; L820-L824 WeakPolarHBondContact O-CG 3.46Å; L820-L824 PolarHBondContact O-N 2.83Å; L820-R911 HydrophobicContact CD1-CB 4.3Å; L820-R911 HydrophobicContact CD1-CG 3.67Å; L820-R911 HydrophobicContact CD2-CB 4.33Å; L820-R911 HydrophobicContact CD2-CG 4.15Å; L820-L912 HydrophobicContact CB-CD2 3.98Å; L820-L912 HydrophobicContact CD1-CD2 4.35Å; L820-L915 HydrophobicContact CD1-CD1 3.42Å; L820-L915 VanDerWaalsContact CD1-CD1 3.42Å |
| 821 | E | 92.8 | Very high | 90 | Very high | 104 Ų | 104 | 42.4 Ų | 42.4 | 49% | 0.486 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.2 | -65.3 | -55 | 127 | 0 | 0 | 112.2 | R817 F818 V823 L824 C825 L985 | R817-E821 PolarHBondContact O-N 2.65Å; F818-E821 PolarHBondContact O-N 3.23Å; E821-V823 VanDerWaalsContact C-N 3.34Å; E821-V823 PolarHBondContact O-N 3.37Å; E821-L824 PolarHBondContact O-N 2.69Å; E821-C825 PolarHBondContact O-N 3.05Å; E821-L985 HydrophobicContact CB-CD1 4.44Å; E821-L985 HydrophobicContact CB-CD2 4.02Å |
| 822 | F | 93.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 176.7 | 177.1 | -128.2 | 0 | 0 | 0 | 111.8 | F818 C825 L826 L882 L953 L985 L986 L993 | F818-F822 HydrophobicContact CE1-CB 4.19Å; F818-F822 HydrophobicContact CZ-CB 4.48Å; F818-F822 WeakPolarHBondContact O-CB 3.28Å; F818-F822 PolarHBondContact O-N 3.07Å; F822-C825 PolarHBondContact O-N 3.47Å; F822-L826 HydrophobicContact CD1-CD1 4.09Å; F822-L826 HydrophobicContact CE1-CD1 3.7Å; F822-L826 HydrophobicContact CE2-CD1 4.2Å; F822-L826 HydrophobicContact CE2-CG 4.35Å; F822-L826 HydrophobicContact CZ-CD1 3.76Å; F822-L826 HydrophobicContact CZ-CG 4.3Å; F822-L826 WeakPolarHBondContact O-CB 3.38Å; F822-L826 PolarHBondContact O-N 3.39Å; F822-L882 HydrophobicContact CD1-CD1 4.1Å; F822-L882 HydrophobicContact CE1-CD1 3.65Å; F822-L953 HydrophobicContact CE2-CD1 4.33Å; F822-L953 HydrophobicContact CZ-CD1 3.91Å; F822-L985 HydrophobicContact CB-CD1 4.26Å; F822-L986 HydrophobicContact CD2-CD2 3.99Å; F822-L986 HydrophobicContact CE2-CD2 3.86Å; F822-L993 HydrophobicContact CE1-CD1 4.46Å; F822-L993 HydrophobicContact CZ-CD1 4.25Å |
| 823 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.7 | 156.9 | 0 | 0 | 0 | 0 | 112 | T819 L820 E821 C825 L826 M827 T879 L883 L915 | T819-V823 HydrophobicContact CG2-CG2 4.14Å; T819-V823 WeakPolarHBondContact O-CB 3.22Å; T819-V823 WeakPolarHBondContact O-CG2 3.16Å; T819-V823 PolarHBondContact O-N 3.01Å; L820-V823 PolarHBondContact O-N 3.41Å; E821-V823 VanDerWaalsContact C-N 3.34Å; E821-V823 PolarHBondContact O-N 3.37Å; V823-C825 VanDerWaalsContact C-N 3.3Å; V823-C825 PolarHBondContact O-N 3.47Å; V823-L826 WeakPolarHBondContact O-CB 3.44Å; V823-L826 PolarHBondContact O-N 3.09Å; V823-M827 HydrophobicContact CG1-SD 4.1Å; V823-M827 WeakPolarHBondContact O-CG 3.49Å; V823-M827 PolarHBondContact O-N 3.47Å; V823-T879 HydrophobicContact CB-CG2 4.43Å; V823-T879 HydrophobicContact CG1-CG2 3.72Å; V823-T879 HydrophobicContact CG2-CG2 4.24Å; V823-L883 HydrophobicContact CB-CD2 4.34Å; V823-L883 HydrophobicContact CG1-CD1 3.93Å; V823-L883 HydrophobicContact CG1-CD2 4.01Å; V823-L883 HydrophobicContact CG1-CG 4.13Å; V823-L883 HydrophobicContact CG2-CD1 4.49Å; V823-L883 HydrophobicContact CG2-CD2 3.84Å; V823-L883 HydrophobicContact CG2-CG 3.85Å; V823-L915 HydrophobicContact CG1-CB 4.33Å; V823-L915 HydrophobicContact CG1-CD1 3.86Å |
| 824 | L | 92.1 | Very high | 87.1 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.1 | -74 | 169 | 0 | 0 | 0 | 111.1 | L820 E821 M827 E828 L915 | L820-L824 HydrophobicContact CD1-CD1 4.1Å; L820-L824 HydrophobicContact CD1-CG 4.3Å; L820-L824 HydrophobicContact CG-CD1 4.24Å; L820-L824 VanDerWaalsContact O-CG 3.31Å; L820-L824 WeakPolarHBondContact O-CG 3.46Å; L820-L824 PolarHBondContact O-N 2.83Å; E821-L824 PolarHBondContact O-N 2.69Å; L824-M827 PolarHBondContact O-N 2.78Å; L824-E828 PolarHBondContact O-N 2.79Å; L824-L915 HydrophobicContact CD2-CD1 3.77Å; L824-L915 HydrophobicContact CD2-CD2 4.07Å; L824-L915 HydrophobicContact CG-CD1 4.08Å |
| 825 | C | 90.4 | Very high | 85.2 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 174.3 | -159 | 0 | 0 | 0 | 0 | 112.2 | E821 F822 V823 M827 E828 V829 L985 L986 | E821-C825 PolarHBondContact O-N 3.05Å; F822-C825 PolarHBondContact O-N 3.47Å; V823-C825 VanDerWaalsContact C-N 3.3Å; V823-C825 PolarHBondContact O-N 3.47Å; C825-M827 VanDerWaalsContact C-N 3.3Å; C825-M827 PolarHBondContact O-N 3.13Å; C825-E828 WeakPolarHBondContact O-CB 3.47Å; C825-E828 PolarHBondContact O-N 3.24Å; C825-E828 VanDerWaalsContact O-N 3.11Å; C825-V829 WeakPolarHBondContact O-CG2 3.35Å; C825-V829 PolarHBondContact O-N 3.4Å; C825-L985 HydrophobicContact CB-CD2 4.32Å; C825-L986 HydrophobicContact CB-CD2 3.87Å |
| 826 | L | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.1 | -44 | 171.2 | -103.3 | 163.5 | 0 | 0 | 0 | 112.6 | F822 V823 V829 A830 L875 L882 L953 | F822-L826 HydrophobicContact CD1-CD1 4.09Å; F822-L826 HydrophobicContact CE1-CD1 3.7Å; F822-L826 HydrophobicContact CE2-CD1 4.2Å; F822-L826 HydrophobicContact CE2-CG 4.35Å; F822-L826 HydrophobicContact CZ-CD1 3.76Å; F822-L826 HydrophobicContact CZ-CG 4.3Å; F822-L826 WeakPolarHBondContact O-CB 3.38Å; F822-L826 PolarHBondContact O-N 3.39Å; V823-L826 WeakPolarHBondContact O-CB 3.44Å; V823-L826 PolarHBondContact O-N 3.09Å; L826-V829 PolarHBondContact O-N 2.9Å; L826-A830 PolarHBondContact O-N 3.46Å; L826-L875 HydrophobicContact CD2-CD2 3.88Å; L826-L882 HydrophobicContact CD1-CD1 3.68Å; L826-L953 HydrophobicContact CD2-CD1 4.17Å; L826-L953 HydrophobicContact CD2-CD2 3.73Å; L826-L953 HydrophobicContact CD2-CG 4.15Å; L826-L953 HydrophobicContact CG-CD2 4.11Å |
| 827 | M | 88.4 | Confident | 80.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 15% | 0.148 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.5 | -31.1 | 177.4 | -67.4 | 179.5 | 77.2 | 0 | 0 | 112.5 | V823 L824 C825 A830 G831 Y876 T879 L915 | V823-M827 HydrophobicContact CG1-SD 4.1Å; V823-M827 WeakPolarHBondContact O-CG 3.49Å; V823-M827 PolarHBondContact O-N 3.47Å; L824-M827 PolarHBondContact O-N 2.78Å; C825-M827 VanDerWaalsContact C-N 3.3Å; C825-M827 PolarHBondContact O-N 3.13Å; M827-A830 PolarHBondContact O-N 3.02Å; M827-G831 PolarHBondContact O-N 3.29Å; M827-Y876 HydrophobicContact CE-CE1 4.07Å; M827-Y876 HydrophobicContact CG-CE1 4.22Å; M827-T879 HydrophobicContact CG-CG2 3.94Å; M827-T879 HydrophobicContact SD-CG2 4.24Å; M827-L915 HydrophobicContact CE-CD2 4.4Å; M827-L915 HydrophobicContact SD-CB 4.36Å; M827-L915 HydrophobicContact SD-CD2 3.94Å |
| 828 | E | 89.1 | Confident | 78.1 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 46% | 0.458 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -43 | 169.9 | -173.4 | -177.9 | -174.5 | 0 | 0 | 111.5 | L824 C825 A830 G831 S832 K982 | L824-E828 PolarHBondContact O-N 2.79Å; C825-E828 WeakPolarHBondContact O-CB 3.47Å; C825-E828 PolarHBondContact O-N 3.24Å; C825-E828 VanDerWaalsContact O-N 3.11Å; E828-A830 VanDerWaalsContact C-N 3.35Å; E828-A830 PolarHBondContact O-N 3.11Å; E828-G831 PolarHBondContact O-N 2.94Å; E828-S832 PolarHBondContact O-N 3.3Å; E828-K982 IonicContact OE1-NZ 2.76Å; E828-K982 PolarHBondContact OE1-NZ 3.36Å; E828-K982 IonicContact OE2-NZ 3.86Å; E828-K982 PolarHBondContact OE2-NZ 2.88Å |
| 829 | V | 86.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 112 | C825 L826 S832 L875 H956 L986 | C825-V829 WeakPolarHBondContact O-CG2 3.35Å; C825-V829 PolarHBondContact O-N 3.4Å; L826-V829 PolarHBondContact O-N 2.9Å; V829-S832 PolarHBondContact O-OG 3.49Å; V829-S832 VanDerWaalsContact O-OG 3.11Å; V829-L875 HydrophobicContact CG1-CD1 3.96Å; V829-H956 HydrophobicContact CG1-CB 3.94Å; V829-H956 HydrophobicContact CG2-CB 4.5Å; V829-H956 WeakPolarHBondContact CG2-ND1 3.42Å; V829-L986 HydrophobicContact CG2-CD1 4.12Å |
| 830 | A | 86.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L826 M827 E828 Q872 L875 Y876 | L826-A830 PolarHBondContact O-N 3.46Å; M827-A830 PolarHBondContact O-N 3.02Å; E828-A830 VanDerWaalsContact C-N 3.35Å; E828-A830 PolarHBondContact O-N 3.11Å; A830-Q872 WeakPolarHBondContact O-CG 3.48Å; A830-Q872 PolarHBondContact O-NE2 3.03Å; A830-L875 HydrophobicContact CB-CB 4.06Å; A830-L875 HydrophobicContact CB-CD1 4.21Å; A830-Y876 HydrophobicContact CB-CD2 4.26Å; A830-Y876 HydrophobicContact CB-CE1 4.13Å; A830-Y876 HydrophobicContact CB-CE2 3.79Å |
| 831 | G | 81.9 | Confident | 70.2 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M827 E828 R833 G834 A835 | M827-G831 PolarHBondContact O-N 3.29Å; E828-G831 PolarHBondContact O-N 2.94Å; G831-R833 VanDerWaalsContact C-N 3.32Å; G831-R833 PolarHBondContact O-N 3.32Å; G831-G834 PolarHBondContact O-N 3.06Å; G831-G834 VanDerWaalsContact O-N 3.15Å; G831-A835 PolarHBondContact O-N 2.67Å |
| 832 | S | 75.7 | Confident | 67.1 | Low | 48 Ų | 48 | 51.1 Ų | 51.1 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | -177.1 | 68 | 0 | 0 | 0 | 0 | 112.8 | E828 V829 G834 A835 V836 | E828-S832 PolarHBondContact O-N 3.3Å; V829-S832 PolarHBondContact O-OG 3.49Å; V829-S832 VanDerWaalsContact O-OG 3.11Å; S832-G834 VanDerWaalsContact C-N 3.26Å; S832-G834 PolarHBondContact O-N 2.86Å; S832-A835 PolarHBondContact O-N 3.08Å; S832-V836 WeakPolarHBondContact O-CG2 3.28Å; S832-V836 PolarHBondContact O-N 3.09Å |
| 833 | R | 70.1 | Confident | 64 | Low | 45 Ų | 45 | 58.9 Ų | 58.9 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -30.2 | 178.6 | -68.3 | 179.4 | -178.8 | -90.8 | -4.4 | 113.5 | G831 S868 E871 Q872 | G831-R833 VanDerWaalsContact C-N 3.32Å; G831-R833 PolarHBondContact O-N 3.32Å; R833-S868 VanDerWaalsContact C-OG 3.23Å; R833-S868 PolarHBondContact O-OG 3.3Å; R833-E871 WeakPolarHBondContact CD-OE2 3.42Å; R833-E871 IonicContact CZ-OE1 2.68Å; R833-E871 IonicContact CZ-OE2 2.98Å; R833-E871 IonicContact NE-OE2 3.21Å; R833-E871 IonicContact NH1-OE1 3.85Å; R833-E871 PolarHBondContact NH1-OE1 3.33Å; R833-E871 IonicContact NH1-OE2 2.66Å; R833-E871 PolarHBondContact NH1-OE2 3.25Å; R833-Q872 HydrophobicContact CB-CG 4.31Å |
| 834 | G | 55.8 | Low | 61.2 | Low | 22 Ų | 22 | 62 Ų | 62 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -77.2 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G831 S832 V836 T837 | G831-G834 PolarHBondContact O-N 3.06Å; G831-G834 VanDerWaalsContact O-N 3.15Å; S832-G834 VanDerWaalsContact C-N 3.26Å; S832-G834 PolarHBondContact O-N 2.86Å; G834-V836 VanDerWaalsContact C-N 3.29Å; G834-V836 PolarHBondContact O-N 3.49Å; G834-T837 PolarHBondContact O-N 3.01Å |
| 835 | A | 50.3 | Low | 58.3 | Low | 65 Ų | 65 | 64.1 Ų | 64.1 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G831 S832 T837 A838 | G831-A835 PolarHBondContact O-N 2.67Å; S832-A835 PolarHBondContact O-N 3.08Å; A835-T837 PolarHBondContact O-N 3.22Å; A835-A838 PolarHBondContact O-N 2.67Å; A835-A838 VanDerWaalsContact O-N 3.07Å |
| 836 | V | 45.8 | Very low | 55.3 | Low | 126 Ų | 126 | 72.6 Ų | 72.6 | 76% | 0.764 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.7 | -178.2 | 169.9 | 0 | 0 | 0 | 0 | 113.8 | S832 G834 | S832-V836 WeakPolarHBondContact O-CG2 3.28Å; S832-V836 PolarHBondContact O-N 3.09Å; G834-V836 VanDerWaalsContact C-N 3.29Å; G834-V836 PolarHBondContact O-N 3.49Å |
| 837 | T | 44.4 | Very low | 52.7 | Low | 41 Ų | 41 | 78.2 Ų | 78.2 | 25% | 0.252 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 1.6 | 179.1 | 77.8 | 0 | 0 | 0 | 0 | 115 | G834 A835 R865 | G834-T837 PolarHBondContact O-N 3.01Å; A835-T837 PolarHBondContact O-N 3.22Å; T837-R865 PolarHBondContact O-NH2 3.22Å; T837-R865 PolarHBondContact OG1-NE 3.44Å |
| 838 | A | 35 | Very low | 50 | Low | 64 Ų | 64 | 81.3 Ų | 81.3 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -26.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A835 A840 | A835-A838 PolarHBondContact O-N 2.67Å; A835-A838 VanDerWaalsContact O-N 3.07Å; A838-A840 PolarHBondContact O-N 2.7Å |
| 839 | G | 35.4 | Very low | 47.3 | Very low | 86 Ų | 86 | 83.2 Ų | 83.2 | 89% | 0.887 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 37.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 840 | A | 38.5 | Very low | 44.7 | Very low | 85 Ų | 85 | 90.9 Ų | 90.9 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 4.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A838 | A838-A840 PolarHBondContact O-N 2.7Š|
| 841 | Q | 37.9 | Very low | 42.4 | Very low | 176 Ų | 176 | 100.1 Ų | 100.1 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -132.8 | 105.2 | 172.3 | -73.2 | -179 | -59.1 | 0 | 0 | 109 | ||
| 842 | G | 28.7 | Very low | 40.2 | Very low | 82 Ų | 82 | 107.2 Ų | 107.2 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | trans | 155.4 | 42 | 179.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 843 | D | 27.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 112.7 Ų | 112.7 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | -160.2 | 158.8 | 120.1 | -151.5 | -11.8 | 0 | 0 | 0 | 109.6 | |||||
| 844 | G | 34.8 | Very low | 37.1 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | trans | -133.8 | 89.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 845 | S | 30.7 | Very low | 36.5 | Very low | 104 Ų | 104 | 119 Ų | 119 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -168.3 | 89.3 | 157.3 | 39.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 846 | H | 27.7 | Very low | 36.2 | Very low | 186 Ų | 186 | 120.2 Ų | 120.2 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | 174.1 | 129 | 131.5 | -104.7 | -80.4 | 0 | 0 | 0 | 110.9 | ||||
| 847 | P | 35.9 | Very low | 36 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -91.9 | 165.6 | 178 | 36.3 | -35 | 0 | 0 | 0 | 113.6 | ||||
| 848 | A | 31.9 | Very low | 36.3 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | 66.1 | 99.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 849 | V | 33.4 | Very low | 37.1 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | S | Bend | -177.9 | 154.8 | 114.1 | 145.8 | 0 | 0 | 0 | 0 | 109.3 | |||
| 850 | L | 31 | Very low | 37.9 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | 69.4 | 58.1 | -178.1 | -67.3 | 169.3 | 0 | 0 | 0 | 117.1 | Q852 | L850-Q852 PolarHBondContact O-N 2.83Š| ||
| 851 | Q | 37.5 | Very low | 38.8 | Very low | 194 Ų | 194 | 121.6 Ų | 121.6 | 91% | 0.907 | 70% | 0.702 | S | S | * | * | trans | -79 | 88.2 | 162.7 | -174.8 | 175.6 | 0.1 | 0 | 0 | 111.2 | ||||
| 852 | Q | 35.9 | Very low | 40 | Very low | 183 Ų | 183 | 116 Ų | 116 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | -143.6 | 34.8 | 168.1 | -155.4 | 94.8 | 46 | 0 | 0 | 112.3 | L850 S854 | L850-Q852 PolarHBondContact O-N 2.83Å; Q852-S854 PolarHBondContact O-N 3.2Å | ||
| 853 | Q | 37.8 | Very low | 41.5 | Very low | 162 Ų | 162 | 114.5 Ų | 114.5 | 76% | 0.757 | 66% | 0.655 | S | S | * | * | trans | -70.1 | 128.6 | 167.8 | -77.3 | 174 | -29.2 | 0 | 0 | 109.3 | ||||
| 854 | S | 43 | Very low | 43.3 | Very low | 66 Ų | 66 | 110 Ų | 110 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | trans | -75.1 | 132.5 | -179.5 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | Q852 V856 A857 D858 | Q852-S854 PolarHBondContact O-N 3.2Å; S854-V856 PolarHBondContact O-N 2.87Å; S854-V856 PolarHBondContact OG-N 2.7Å; S854-A857 WeakPolarHBondContact O-CA 3.26Å; S854-A857 WeakPolarHBondContact O-CB 3.49Å; S854-A857 PolarHBondContact O-N 2.78Å; S854-D858 PolarHBondContact O-N 3.4Å | ||
| 855 | L | 43.3 | Very low | 45 | Very low | 135 Ų | 135 | 111.8 Ų | 111.8 | 71% | 0.707 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -52.3 | -27.1 | 174.7 | -62.8 | 171.7 | 0 | 0 | 0 | 112.7 | Q859 | L855-Q859 WeakPolarHBondContact O-CB 3.28Å; L855-Q859 VanDerWaalsContact O-CG 3.26Å; L855-Q859 WeakPolarHBondContact O-CG 3.34Å; L855-Q859 PolarHBondContact O-N 2.97Å; L855-Q859 VanDerWaalsContact O-N 3.11Å |
| 856 | V | 44.8 | Very low | 47 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -37.7 | 175.1 | -178 | 0 | 0 | 0 | 0 | 111.7 | S854 I860 | S854-V856 PolarHBondContact O-N 2.87Å; S854-V856 PolarHBondContact OG-N 2.7Å; V856-I860 HydrophobicContact CG1-CD1 3.87Å; V856-I860 WeakPolarHBondContact O-CB 3.33Å; V856-I860 WeakPolarHBondContact O-CD1 3.49Å; V856-I860 VanDerWaalsContact O-CG1 3.22Å; V856-I860 WeakPolarHBondContact O-CG1 3.45Å; V856-I860 PolarHBondContact O-N 3.42Å |
| 857 | A | 41.8 | Very low | 49.3 | Very low | 47 Ų | 47 | 102.6 Ų | 102.6 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S854 I860 S861 | S854-A857 WeakPolarHBondContact O-CA 3.26Å; S854-A857 WeakPolarHBondContact O-CB 3.49Å; S854-A857 PolarHBondContact O-N 2.78Å; A857-I860 PolarHBondContact O-N 3.23Å; A857-S861 WeakPolarHBondContact O-CB 3.31Å; A857-S861 PolarHBondContact O-N 3.37Å; A857-S861 PolarHBondContact O-OG 2.76Å |
| 858 | D | 49.4 | Very low | 51.4 | Low | 78 Ų | 78 | 97.5 Ų | 97.5 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 175.6 | -63.3 | -27.1 | 0 | 0 | 0 | 111.3 | S854 I860 S861 S862 | S854-D858 PolarHBondContact O-N 3.4Å; D858-I860 PolarHBondContact O-N 2.93Å; D858-S861 PolarHBondContact O-N 2.96Å; D858-S862 WeakPolarHBondContact O-CB 3.37Å; D858-S862 PolarHBondContact O-N 2.96Å |
| 859 | Q | 51.7 | Low | 53.8 | Low | 128 Ų | 128 | 94.7 Ų | 94.7 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 174.2 | -73.6 | 175.6 | 19.2 | 0 | 0 | 112.6 | L855 L863 | L855-Q859 WeakPolarHBondContact O-CB 3.28Å; L855-Q859 VanDerWaalsContact O-CG 3.26Å; L855-Q859 WeakPolarHBondContact O-CG 3.34Å; L855-Q859 PolarHBondContact O-N 2.97Å; L855-Q859 VanDerWaalsContact O-N 3.11Å; Q859-L863 WeakPolarHBondContact O-CB 3.43Å; Q859-L863 WeakPolarHBondContact O-CG 3.42Å; Q859-L863 PolarHBondContact O-N 3.28Å |
| 860 | I | 53.5 | Low | 56.1 | Low | 107 Ų | 107 | 88.1 Ų | 88.1 | 55% | 0.549 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 173.7 | -70.9 | 166.8 | 0 | 0 | 0 | 111.1 | V856 A857 D858 S864 | V856-I860 HydrophobicContact CG1-CD1 3.87Å; V856-I860 WeakPolarHBondContact O-CB 3.33Å; V856-I860 WeakPolarHBondContact O-CD1 3.49Å; V856-I860 VanDerWaalsContact O-CG1 3.22Å; V856-I860 WeakPolarHBondContact O-CG1 3.45Å; V856-I860 PolarHBondContact O-N 3.42Å; A857-I860 PolarHBondContact O-N 3.23Å; D858-I860 PolarHBondContact O-N 2.93Å; I860-S864 WeakPolarHBondContact O-CB 3.43Å; I860-S864 PolarHBondContact O-N 2.95Å |
| 861 | S | 57.7 | Low | 58.7 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | A857 D858 S864 R865 | A857-S861 WeakPolarHBondContact O-CB 3.31Å; A857-S861 PolarHBondContact O-N 3.37Å; A857-S861 PolarHBondContact O-OG 2.76Å; D858-S861 PolarHBondContact O-N 2.96Å; S861-S864 PolarHBondContact O-N 2.86Å; S861-R865 PolarHBondContact O-N 3.12Å |
| 862 | S | 61.6 | Low | 61.1 | Low | 59 Ų | 59 | 74.3 Ų | 74.3 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.6 | -51.4 | 171.5 | -155.9 | 0 | 0 | 0 | 0 | 110.3 | D858 S864 R865 E866 | D858-S862 WeakPolarHBondContact O-CB 3.37Å; D858-S862 PolarHBondContact O-N 2.96Å; S862-S864 PolarHBondContact O-N 3.48Å; S862-R865 WeakPolarHBondContact O-CB 3.43Å; S862-R865 PolarHBondContact O-N 3.17Å; S862-R865 VanDerWaalsContact O-N 3.1Å; S862-E866 VanDerWaalsContact C-CD 3.43Å; S862-E866 VanDerWaalsContact CB-OE1 3.28Å; S862-E866 WeakPolarHBondContact CB-OE1 3.37Å; S862-E866 VanDerWaalsContact O-CG 3.27Å; S862-E866 WeakPolarHBondContact O-CG 3.34Å; S862-E866 PolarHBondContact O-N 3.15Å; S862-E866 PolarHBondContact OG-OE1 3.33Å |
| 863 | L | 61.4 | Low | 63.5 | Low | 49 Ų | 49 | 65.9 Ų | 65.9 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -53.7 | -48.8 | 173.5 | -84.6 | 165.7 | 0 | 0 | 0 | 112.2 | Q859 R865 E866 W867 F933 K937 | Q859-L863 WeakPolarHBondContact O-CB 3.43Å; Q859-L863 WeakPolarHBondContact O-CG 3.42Å; Q859-L863 PolarHBondContact O-N 3.28Å; L863-R865 VanDerWaalsContact C-N 3.26Å; L863-R865 PolarHBondContact O-N 3.11Å; L863-E866 WeakPolarHBondContact O-CB 3.29Å; L863-E866 PolarHBondContact O-N 3.49Å; L863-E866 VanDerWaalsContact O-N 3.16Å; L863-W867 WeakPolarHBondContact O-CB 3.26Å; L863-W867 PolarHBondContact O-N 3.24Å; L863-F933 HydrophobicContact CD2-CE2 4.15Å; L863-F933 HydrophobicContact CD2-CZ 4.48Å; L863-K937 HydrophobicContact CD2-CD 4.11Å |
| 864 | S | 64.8 | Low | 65.9 | Low | 73 Ų | 73 | 58.8 Ų | 58.8 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -35.3 | 179.9 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | I860 S861 S862 S868 | I860-S864 WeakPolarHBondContact O-CB 3.43Å; I860-S864 PolarHBondContact O-N 2.95Å; S861-S864 PolarHBondContact O-N 2.86Å; S862-S864 PolarHBondContact O-N 3.48Å; S864-S868 PolarHBondContact O-N 2.71Å |
| 865 | R | 70.8 | Confident | 68.1 | Low | 103 Ų | 103 | 55.7 Ų | 55.7 | 39% | 0.389 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.1 | -44.8 | 173.6 | -177.8 | 179.7 | -78.1 | 166.4 | -4 | 111.1 | T837 S861 S862 L863 W867 S868 H869 | T837-R865 PolarHBondContact O-NH2 3.22Å; T837-R865 PolarHBondContact OG1-NE 3.44Å; S861-R865 PolarHBondContact O-N 3.12Å; S862-R865 WeakPolarHBondContact O-CB 3.43Å; S862-R865 PolarHBondContact O-N 3.17Å; S862-R865 VanDerWaalsContact O-N 3.1Å; L863-R865 VanDerWaalsContact C-N 3.26Å; L863-R865 PolarHBondContact O-N 3.11Å; R865-W867 VanDerWaalsContact C-N 3.33Å; R865-W867 PolarHBondContact O-N 3.28Å; R865-S868 PolarHBondContact O-N 2.74Å; R865-H869 PolarHBondContact O-N 3.25Å; R865-H869 PolarHBondContact O-ND1 3.09Å |
| 866 | E | 72.6 | Confident | 70.4 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.4 | -70 | 144.5 | -146.2 | 0 | 0 | 111.4 | S862 L863 H869 A870 F933 K937 | S862-E866 VanDerWaalsContact C-CD 3.43Å; S862-E866 VanDerWaalsContact CB-OE1 3.28Å; S862-E866 WeakPolarHBondContact CB-OE1 3.37Å; S862-E866 VanDerWaalsContact O-CG 3.27Å; S862-E866 WeakPolarHBondContact O-CG 3.34Å; S862-E866 PolarHBondContact O-N 3.15Å; S862-E866 PolarHBondContact OG-OE1 3.33Å; L863-E866 WeakPolarHBondContact O-CB 3.29Å; L863-E866 PolarHBondContact O-N 3.49Å; L863-E866 VanDerWaalsContact O-N 3.16Å; E866-H869 PolarHBondContact O-N 3.04Å; E866-A870 PolarHBondContact O-N 3.31Å; E866-F933 HydrophobicContact CB-CD2 3.76Å; E866-F933 HydrophobicContact CB-CE1 4.35Å; E866-F933 HydrophobicContact CB-CE2 3.54Å; E866-F933 HydrophobicContact CB-CG 4.25Å; E866-F933 HydrophobicContact CB-CZ 3.83Å; E866-F933 HydrophobicContact CG-CD2 3.72Å; E866-F933 HydrophobicContact CG-CE2 3.9Å; E866-F933 HydrophobicContact CG-CG 4.38Å; E866-F933 VanDerWaalsContact OE2-CD2 3.25Å; E866-F933 WeakPolarHBondContact OE2-CD2 3.35Å; E866-F933 WeakPolarHBondContact OE2-CE2 3.44Å; E866-K937 IonicContact OE2-NZ 2.96Å; E866-K937 PolarHBondContact OE2-NZ 3.38Å |
| 867 | W | 74.8 | Confident | 72.5 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 174.8 | -89.3 | 96 | 0 | 0 | 0 | 113.2 | L863 R865 H869 A870 E871 L940 Q943 I944 I947 | L863-W867 WeakPolarHBondContact O-CB 3.26Å; L863-W867 PolarHBondContact O-N 3.24Å; R865-W867 VanDerWaalsContact C-N 3.33Å; R865-W867 PolarHBondContact O-N 3.28Å; W867-H869 VanDerWaalsContact C-N 3.33Å; W867-H869 PolarHBondContact O-N 3.23Å; W867-A870 WeakPolarHBondContact O-CB 3.06Å; W867-A870 PolarHBondContact O-N 3.15Å; W867-A870 VanDerWaalsContact O-N 3.1Å; W867-E871 PolarHBondContact O-N 3.1Å; W867-E871 VanDerWaalsContact O-N 3.09Å; W867-L940 HydrophobicContact CZ2-CD2 3.84Å; W867-L940 HydrophobicContact CZ2-CG 4.01Å; W867-Q943 HydrophobicContact CH2-CB 3.63Å; W867-Q943 HydrophobicContact CZ2-CB 3.96Å; W867-I944 HydrophobicContact CH2-CG1 4.17Å; W867-I947 HydrophobicContact CE3-CD1 3.93Å; W867-I947 HydrophobicContact CZ3-CD1 3.57Å; W867-I947 HydrophobicContact CZ3-CG1 3.96Å |
| 868 | S | 80.4 | Confident | 74.8 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | R833 S864 R865 A870 E871 Q872 | R833-S868 VanDerWaalsContact C-OG 3.23Å; R833-S868 PolarHBondContact O-OG 3.3Å; S864-S868 PolarHBondContact O-N 2.71Å; R865-S868 PolarHBondContact O-N 2.74Å; S868-A870 VanDerWaalsContact C-N 3.28Å; S868-A870 PolarHBondContact O-N 3.17Å; S868-E871 PolarHBondContact O-N 3.17Å; S868-Q872 WeakPolarHBondContact O-CG 3.5Å; S868-Q872 PolarHBondContact O-N 2.74Å |
| 869 | H | 83 | Confident | 76.8 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 17% | 0.167 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -33.9 | 175.9 | -69.2 | 82.4 | 0 | 0 | 0 | 112.2 | R865 E866 W867 Q872 L873 L926 H929 L930 | R865-H869 PolarHBondContact O-N 3.25Å; R865-H869 PolarHBondContact O-ND1 3.09Å; E866-H869 PolarHBondContact O-N 3.04Å; W867-H869 VanDerWaalsContact C-N 3.33Å; W867-H869 PolarHBondContact O-N 3.23Å; H869-Q872 PolarHBondContact O-N 3.46Å; H869-L873 PolarHBondContact O-N 2.97Å; H869-L926 HydrophobicContact CB-CD2 3.89Å; H869-H929 AromaticContact CD2-CE1 3.91Å; H869-H929 AromaticContact CD2-ND1 3.52Å; H869-H929 AromaticContact CE1-CE1 3.96Å; H869-H929 AromaticContact NE2-CE1 3.64Å; H869-H929 AromaticContact NE2-ND1 3.66Å; H869-L930 HydrophobicContact CB-CD1 4.47Å; H869-L930 HydrophobicContact CB-CD2 4.07Å; H869-L930 HydrophobicContact CB-CG 4.38Å |
| 870 | A | 80.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E866 W867 S868 L873 V874 L930 I947 | E866-A870 PolarHBondContact O-N 3.31Å; W867-A870 WeakPolarHBondContact O-CB 3.06Å; W867-A870 PolarHBondContact O-N 3.15Å; W867-A870 VanDerWaalsContact O-N 3.1Å; S868-A870 VanDerWaalsContact C-N 3.28Å; S868-A870 PolarHBondContact O-N 3.17Å; A870-L873 PolarHBondContact O-N 3.46Å; A870-V874 WeakPolarHBondContact O-CG2 3.27Å; A870-V874 PolarHBondContact O-N 2.91Å; A870-V874 VanDerWaalsContact O-N 3.15Å; A870-L930 HydrophobicContact CB-CD1 4.32Å; A870-L930 HydrophobicContact CB-CD2 4.36Å; A870-I947 HydrophobicContact CB-CD1 4.2Å |
| 871 | E | 85 | Confident | 80.5 | Confident | 43 Ų | 43 | 36.3 Ų | 36.3 | 20% | 0.201 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 172.3 | -63.7 | -176.5 | 133.3 | 0 | 0 | 111.9 | R833 W867 S868 V874 L875 I947 L952 | R833-E871 WeakPolarHBondContact CD-OE2 3.42Å; R833-E871 IonicContact CZ-OE1 2.68Å; R833-E871 IonicContact CZ-OE2 2.98Å; R833-E871 IonicContact NE-OE2 3.21Å; R833-E871 IonicContact NH1-OE1 3.85Å; R833-E871 PolarHBondContact NH1-OE1 3.33Å; R833-E871 IonicContact NH1-OE2 2.66Å; R833-E871 PolarHBondContact NH1-OE2 3.25Å; W867-E871 PolarHBondContact O-N 3.1Å; W867-E871 VanDerWaalsContact O-N 3.09Å; S868-E871 PolarHBondContact O-N 3.17Å; E871-V874 PolarHBondContact O-N 2.82Å; E871-L875 WeakPolarHBondContact O-CG 3.28Å; E871-L875 PolarHBondContact O-N 2.81Å; E871-L875 VanDerWaalsContact O-N 3.12Å; E871-I947 HydrophobicContact CG-CG2 4.28Å; E871-L952 HydrophobicContact CB-CD1 3.88Å; E871-L952 HydrophobicContact CB-CD2 4.22Å; E871-L952 HydrophobicContact CG-CD1 4.24Å; E871-L952 HydrophobicContact CG-CD2 3.88Å; E871-L952 WeakPolarHBondContact OE1-CD2 3.38Å |
| 872 | Q | 88.7 | Confident | 82.2 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.2 | -72.2 | -174.1 | -42.2 | 0 | 0 | 112.2 | A830 R833 S868 H869 V874 L875 Y876 L926 | A830-Q872 WeakPolarHBondContact O-CG 3.48Å; A830-Q872 PolarHBondContact O-NE2 3.03Å; R833-Q872 HydrophobicContact CB-CG 4.31Å; S868-Q872 WeakPolarHBondContact O-CG 3.5Å; S868-Q872 PolarHBondContact O-N 2.74Å; H869-Q872 PolarHBondContact O-N 3.46Å; Q872-V874 PolarHBondContact O-N 3.18Å; Q872-L875 PolarHBondContact O-N 2.99Å; Q872-Y876 HydrophobicContact CB-CD2 4.37Å; Q872-Y876 HydrophobicContact CB-CE2 4.35Å; Q872-Y876 WeakPolarHBondContact O-CD2 2.99Å; Q872-Y876 PolarHBondContact O-N 3.4Å; Q872-L926 HydrophobicContact CB-CD1 3.96Å; Q872-L926 HydrophobicContact CB-CD2 4.36Å |
| 873 | L | 87.4 | Confident | 83.6 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 179.2 | 179.6 | 56.9 | 0 | 0 | 0 | 111.4 | L612 H869 A870 L875 Y876 L877 C923 L926 L930 | L612-L873 HydrophobicContact CD1-CD2 4.13Å; L612-L873 HydrophobicContact CD1-CG 4.36Å; H869-L873 PolarHBondContact O-N 2.97Å; A870-L873 PolarHBondContact O-N 3.46Å; L873-L875 PolarHBondContact O-N 3.37Å; L873-Y876 PolarHBondContact O-N 2.85Å; L873-L877 HydrophobicContact CD1-CD1 4Å; L873-L877 HydrophobicContact CD1-CG 3.97Å; L873-L877 HydrophobicContact CG-CD1 3.91Å; L873-L877 HydrophobicContact CG-CG 4.36Å; L873-L877 WeakPolarHBondContact O-CB 3.46Å; L873-L877 VanDerWaalsContact O-CG 3.24Å; L873-L877 WeakPolarHBondContact O-CG 3.33Å; L873-L877 PolarHBondContact O-N 3.07Å; L873-C923 HydrophobicContact CD1-CB 4.08Å; L873-L926 HydrophobicContact CB-CB 4.15Å; L873-L926 HydrophobicContact CB-CD1 4.49Å; L873-L926 HydrophobicContact CD1-CB 4.05Å; L873-L930 HydrophobicContact CB-CD1 4.08Å; L873-L930 HydrophobicContact CD2-CD1 3.71Å |
| 874 | V | 87.5 | Confident | 85.2 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 9% | 0.085 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L612 A870 E871 Q872 L877 K878 I947 A949 L952 | L612-V874 HydrophobicContact CB-CG2 4.27Å; L612-V874 HydrophobicContact CD1-CG2 3.64Å; A870-V874 WeakPolarHBondContact O-CG2 3.27Å; A870-V874 PolarHBondContact O-N 2.91Å; A870-V874 VanDerWaalsContact O-N 3.15Å; E871-V874 PolarHBondContact O-N 2.82Å; Q872-V874 PolarHBondContact O-N 3.18Å; V874-L877 PolarHBondContact O-N 3.11Å; V874-K878 PolarHBondContact O-N 3.28Å; V874-I947 HydrophobicContact CB-CG2 4.31Å; V874-I947 HydrophobicContact CG1-CG2 4.49Å; V874-I947 HydrophobicContact CG2-CB 4.43Å; V874-I947 HydrophobicContact CG2-CG2 3.9Å; V874-A949 HydrophobicContact CG1-CB 4.03Å; V874-L952 HydrophobicContact CB-CD1 4.43Å; V874-L952 HydrophobicContact CG1-CD1 4.34Å |
| 875 | L | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -43.7 | 178.8 | -67.8 | 170 | 0 | 0 | 0 | 112.4 | L826 V829 A830 E871 Q872 L873 K878 T879 A949 L952 | L826-L875 HydrophobicContact CD2-CD2 3.88Å; V829-L875 HydrophobicContact CG1-CD1 3.96Å; A830-L875 HydrophobicContact CB-CB 4.06Å; A830-L875 HydrophobicContact CB-CD1 4.21Å; E871-L875 WeakPolarHBondContact O-CG 3.28Å; E871-L875 PolarHBondContact O-N 2.81Å; E871-L875 VanDerWaalsContact O-N 3.12Å; Q872-L875 PolarHBondContact O-N 2.99Å; L873-L875 PolarHBondContact O-N 3.37Å; L875-K878 PolarHBondContact O-N 2.72Å; L875-T879 WeakPolarHBondContact O-CB 3.47Å; L875-T879 PolarHBondContact O-N 2.9Å; L875-T879 PolarHBondContact O-OG1 2.8Å; L875-A949 HydrophobicContact CD2-CB 4.45Å; L875-L952 HydrophobicContact CD1-CD1 4.33Å; L875-L952 HydrophobicContact CD2-CB 4.06Å; L875-L952 HydrophobicContact CD2-CD1 4.25Å; L875-L952 HydrophobicContact CG-CD1 3.98Å |
| 876 | Y | 91.1 | Very high | 87.6 | Confident | 30 Ų | 30 | 28 Ų | 28 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.7 | -33.5 | 176.9 | -74.5 | -62 | 0 | 0 | 0 | 113 | M827 A830 Q872 L873 T879 A880 C923 L926 | M827-Y876 HydrophobicContact CE-CE1 4.07Å; M827-Y876 HydrophobicContact CG-CE1 4.22Å; A830-Y876 HydrophobicContact CB-CD2 4.26Å; A830-Y876 HydrophobicContact CB-CE1 4.13Å; A830-Y876 HydrophobicContact CB-CE2 3.79Å; Q872-Y876 HydrophobicContact CB-CD2 4.37Å; Q872-Y876 HydrophobicContact CB-CE2 4.35Å; Q872-Y876 WeakPolarHBondContact O-CD2 2.99Å; Q872-Y876 PolarHBondContact O-N 3.4Å; L873-Y876 PolarHBondContact O-N 2.85Å; Y876-T879 WeakPolarHBondContact O-CB 3.39Å; Y876-T879 PolarHBondContact O-N 3.09Å; Y876-A880 WeakPolarHBondContact O-CB 3.46Å; Y876-A880 PolarHBondContact O-N 2.9Å; Y876-C923 VanDerWaalsContact CB-SG 3.53Å; Y876-L926 HydrophobicContact CD2-CD1 3.54Å; Y876-L926 HydrophobicContact CE2-CD1 3.95Å |
| 877 | L | 88.9 | Confident | 88.6 | Confident | 41 Ų | 41 | 27.3 Ų | 27.3 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 172.9 | -76.3 | 169.3 | 0 | 0 | 0 | 110.8 | F615 L873 V874 T879 A880 E881 C923 | F615-L877 HydrophobicContact CD1-CD1 4.3Å; F615-L877 HydrophobicContact CE1-CD1 4.37Å; F615-L877 HydrophobicContact CE1-CD2 4.03Å; F615-L877 HydrophobicContact CE2-CD2 4.28Å; F615-L877 HydrophobicContact CZ-CD2 3.81Å; L873-L877 HydrophobicContact CD1-CD1 4Å; L873-L877 HydrophobicContact CD1-CG 3.97Å; L873-L877 HydrophobicContact CG-CD1 3.91Å; L873-L877 HydrophobicContact CG-CG 4.36Å; L873-L877 WeakPolarHBondContact O-CB 3.46Å; L873-L877 VanDerWaalsContact O-CG 3.24Å; L873-L877 WeakPolarHBondContact O-CG 3.33Å; L873-L877 PolarHBondContact O-N 3.07Å; V874-L877 PolarHBondContact O-N 3.11Å; L877-T879 VanDerWaalsContact C-N 3.27Å; L877-T879 PolarHBondContact O-N 2.81Å; L877-A880 PolarHBondContact O-N 2.87Å; L877-E881 PolarHBondContact O-N 3.09Å; L877-C923 HydrophobicContact CD2-CB 4.38Å |
| 878 | K | 90.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 175.9 | -163.2 | 75.3 | -158 | 165.9 | 0 | 112.2 | V874 L875 E881 L882 A949 L993 | V874-K878 PolarHBondContact O-N 3.28Å; L875-K878 PolarHBondContact O-N 2.72Å; K878-E881 WeakPolarHBondContact CD-OE2 3.14Å; K878-E881 WeakPolarHBondContact CE-OE2 3.3Å; K878-E881 IonicContact NZ-OE1 3.57Å; K878-E881 PolarHBondContact NZ-OE1 2.92Å; K878-E881 IonicContact NZ-OE2 2.62Å; K878-E881 PolarHBondContact NZ-OE2 2.79Å; K878-E881 WeakPolarHBondContact O-CB 3.09Å; K878-E881 PolarHBondContact O-N 3.1Å; K878-L882 WeakPolarHBondContact O-CG 3.4Å; K878-L882 PolarHBondContact O-N 2.91Å; K878-A949 HydrophobicContact CB-CB 3.71Å; K878-A949 HydrophobicContact CD-CB 4.07Å; K878-A949 HydrophobicContact CG-CB 3.68Å; K878-L993 VanDerWaalsContact CE-CD2 3.41Å; K878-L993 HydrophobicContact CG-CD1 4.26Å |
| 879 | T | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 174 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | V823 M827 L875 Y876 L877 L883 S919 | V823-T879 HydrophobicContact CB-CG2 4.43Å; V823-T879 HydrophobicContact CG1-CG2 3.72Å; V823-T879 HydrophobicContact CG2-CG2 4.24Å; M827-T879 HydrophobicContact CG-CG2 3.94Å; M827-T879 HydrophobicContact SD-CG2 4.24Å; L875-T879 WeakPolarHBondContact O-CB 3.47Å; L875-T879 PolarHBondContact O-N 2.9Å; L875-T879 PolarHBondContact O-OG1 2.8Å; Y876-T879 WeakPolarHBondContact O-CB 3.39Å; Y876-T879 PolarHBondContact O-N 3.09Å; L877-T879 VanDerWaalsContact C-N 3.27Å; L877-T879 PolarHBondContact O-N 2.81Å; T879-L883 HydrophobicContact CG2-CD1 3.98Å; T879-L883 WeakPolarHBondContact O-CB 3.3Å; T879-L883 VanDerWaalsContact O-CG 3.24Å; T879-L883 WeakPolarHBondContact O-CG 3.5Å; T879-L883 PolarHBondContact O-N 2.92Å; T879-S919 WeakPolarHBondContact CG2-OG 3.48Å |
| 880 | A | 91.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y876 L877 S884 Y916 V920 | Y876-A880 WeakPolarHBondContact O-CB 3.46Å; Y876-A880 PolarHBondContact O-N 2.9Å; L877-A880 PolarHBondContact O-N 2.87Å; A880-S884 VanDerWaalsContact O-CB 3.29Å; A880-S884 WeakPolarHBondContact O-CB 3.47Å; A880-S884 PolarHBondContact O-N 3.22Å; A880-Y916 HydrophobicContact CB-CD2 4.39Å; A880-Y916 HydrophobicContact CB-CE2 4.26Å; A880-Y916 WeakPolarHBondContact O-CE2 2.95Å; A880-V920 HydrophobicContact CB-CG2 4.17Å |
| 881 | E | 91.4 | Very high | 90.9 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.5 | -58.1 | 172.6 | -173.1 | -163 | 138.1 | 0 | 0 | 111 | L877 K878 L883 S884 T885 | L877-E881 PolarHBondContact O-N 3.09Å; K878-E881 WeakPolarHBondContact CD-OE2 3.14Å; K878-E881 WeakPolarHBondContact CE-OE2 3.3Å; K878-E881 IonicContact NZ-OE1 3.57Å; K878-E881 PolarHBondContact NZ-OE1 2.92Å; K878-E881 IonicContact NZ-OE2 2.62Å; K878-E881 PolarHBondContact NZ-OE2 2.79Å; K878-E881 WeakPolarHBondContact O-CB 3.09Å; K878-E881 PolarHBondContact O-N 3.1Å; E881-L883 VanDerWaalsContact C-N 3.32Å; E881-L883 PolarHBondContact O-N 3.25Å; E881-S884 WeakPolarHBondContact O-CB 3.44Å; E881-S884 PolarHBondContact O-N 3.41Å; E881-S884 VanDerWaalsContact O-N 3.11Å; E881-T885 PolarHBondContact O-N 2.68Å; E881-T885 PolarHBondContact O-OG1 3.36Å |
| 882 | L | 91.9 | Very high | 91.2 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 179.8 | -76 | 169.5 | 0 | 0 | 0 | 112.9 | F822 L826 K878 T885 A886 L993 | F822-L882 HydrophobicContact CD1-CD1 4.1Å; F822-L882 HydrophobicContact CE1-CD1 3.65Å; L826-L882 HydrophobicContact CD1-CD1 3.68Å; K878-L882 WeakPolarHBondContact O-CG 3.4Å; K878-L882 PolarHBondContact O-N 2.91Å; L882-T885 PolarHBondContact O-N 3.31Å; L882-A886 WeakPolarHBondContact O-CB 3.47Å; L882-A886 PolarHBondContact O-N 3.14Å; L882-L993 HydrophobicContact CD1-CD2 4.38Å; L882-L993 HydrophobicContact CD2-CD2 3.86Å; L882-L993 HydrophobicContact CG-CD2 4.42Å |
| 883 | L | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 177.7 | -74.2 | 173.5 | 0 | 0 | 0 | 112.5 | V823 T879 E881 A886 L887 L912 L915 Y916 | V823-L883 HydrophobicContact CB-CD2 4.34Å; V823-L883 HydrophobicContact CG1-CD1 3.93Å; V823-L883 HydrophobicContact CG1-CD2 4.01Å; V823-L883 HydrophobicContact CG1-CG 4.13Å; V823-L883 HydrophobicContact CG2-CD1 4.49Å; V823-L883 HydrophobicContact CG2-CD2 3.84Å; V823-L883 HydrophobicContact CG2-CG 3.85Å; T879-L883 HydrophobicContact CG2-CD1 3.98Å; T879-L883 WeakPolarHBondContact O-CB 3.3Å; T879-L883 VanDerWaalsContact O-CG 3.24Å; T879-L883 WeakPolarHBondContact O-CG 3.5Å; T879-L883 PolarHBondContact O-N 2.92Å; E881-L883 VanDerWaalsContact C-N 3.32Å; E881-L883 PolarHBondContact O-N 3.25Å; L883-A886 PolarHBondContact O-N 3.35Å; L883-L887 WeakPolarHBondContact O-CB 3.47Å; L883-L887 VanDerWaalsContact O-CG 3.23Å; L883-L887 WeakPolarHBondContact O-CG 3.22Å; L883-L887 PolarHBondContact O-N 3.34Å; L883-L912 HydrophobicContact CD2-CB 4.14Å; L883-L912 HydrophobicContact CD2-CD2 3.41Å; L883-L912 VanDerWaalsContact CD2-CD2 3.41Å; L883-L912 HydrophobicContact CD2-CG 4.38Å; L883-L915 HydrophobicContact CD1-CB 3.8Å; L883-Y916 HydrophobicContact CB-CD2 4.02Å |
| 884 | S | 93.5 | Very high | 91.4 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -47.8 | 175.2 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | A880 E881 A886 L887 H888 | A880-S884 VanDerWaalsContact O-CB 3.29Å; A880-S884 WeakPolarHBondContact O-CB 3.47Å; A880-S884 PolarHBondContact O-N 3.22Å; E881-S884 WeakPolarHBondContact O-CB 3.44Å; E881-S884 PolarHBondContact O-N 3.41Å; E881-S884 VanDerWaalsContact O-N 3.11Å; S884-A886 PolarHBondContact O-N 3.16Å; S884-L887 PolarHBondContact O-N 2.96Å; S884-H888 PolarHBondContact O-N 3.27Å |
| 885 | T | 93.6 | Very high | 91.6 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | E881 L882 H888 T889 | E881-T885 PolarHBondContact O-N 2.68Å; E881-T885 PolarHBondContact O-OG1 3.36Å; L882-T885 PolarHBondContact O-N 3.31Å; T885-H888 PolarHBondContact O-N 2.82Å; T885-T889 PolarHBondContact O-N 2.68Å; T885-T889 PolarHBondContact O-OG1 3.2Å |
| 886 | A | 92.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 55 Ų | 55 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L816 T819 L882 L883 S884 T889 A890 L912 | L816-A886 HydrophobicContact CD2-CB 4.05Å; L816-A886 WeakPolarHBondContact CD2-O 3.45Å; T819-A886 HydrophobicContact CG2-CB 3.93Å; L882-A886 WeakPolarHBondContact O-CB 3.47Å; L882-A886 PolarHBondContact O-N 3.14Å; L883-A886 PolarHBondContact O-N 3.35Å; S884-A886 PolarHBondContact O-N 3.16Å; A886-T889 PolarHBondContact O-N 3.11Å; A886-A890 WeakPolarHBondContact O-CB 3.25Å; A886-A890 PolarHBondContact O-N 3.06Å; A886-L912 HydrophobicContact CB-CD1 4.45Å |
| 887 | L | 93 | Very high | 91.2 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.2 | -72.1 | 168.3 | 0 | 0 | 0 | 111.6 | L883 S884 A890 M891 V909 L912 N913 Y916 | L883-L887 WeakPolarHBondContact O-CB 3.47Å; L883-L887 VanDerWaalsContact O-CG 3.23Å; L883-L887 WeakPolarHBondContact O-CG 3.22Å; L883-L887 PolarHBondContact O-N 3.34Å; S884-L887 PolarHBondContact O-N 2.96Å; L887-A890 PolarHBondContact O-N 3.2Å; L887-M891 WeakPolarHBondContact O-CG 3.35Å; L887-M891 PolarHBondContact O-N 3.22Å; L887-V909 HydrophobicContact CD2-CG1 4Å; L887-L912 HydrophobicContact CD2-CB 3.85Å; L887-L912 HydrophobicContact CG-CB 4.23Å; L887-N913 HydrophobicContact CD1-CB 4.45Å; L887-N913 HydrophobicContact CD2-CB 4.3Å; L887-Y916 HydrophobicContact CD1-CD1 4.48Å; L887-Y916 HydrophobicContact CD1-CG 4.25Å |
| 888 | H | 93.5 | Very high | 91.1 | Very high | 117 Ų | 117 | 56.7 Ų | 56.7 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 173.9 | -168.3 | -79.5 | 0 | 0 | 0 | 111.6 | S884 T885 A890 M891 E892 | S884-H888 PolarHBondContact O-N 3.27Å; T885-H888 PolarHBondContact O-N 2.82Å; H888-A890 VanDerWaalsContact C-N 3.3Å; H888-A890 PolarHBondContact O-N 3.29Å; H888-M891 PolarHBondContact O-N 3.15Å; H888-E892 IonicContact CE1-OE2 3.86Å; H888-E892 IonicContact ND1-OE2 3.63Å; H888-E892 WeakPolarHBondContact O-CB 3.39Å; H888-E892 PolarHBondContact O-N 3.27Å |
| 889 | T | 91.8 | Very high | 91 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 176 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | T885 A886 E892 R893 | T885-T889 PolarHBondContact O-N 2.68Å; T885-T889 PolarHBondContact O-OG1 3.2Å; A886-T889 PolarHBondContact O-N 3.11Å; T889-E892 PolarHBondContact O-N 3.02Å; T889-R893 HydrophobicContact CG2-CG 4.33Å; T889-R893 WeakPolarHBondContact O-CB 3.28Å; T889-R893 VanDerWaalsContact O-CG 3.27Å; T889-R893 WeakPolarHBondContact O-CG 3.27Å; T889-R893 PolarHBondContact O-N 3.08Å |
| 890 | A | 91.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L816 A886 L887 H888 E892 R893 V894 L899 V909 | L816-A890 HydrophobicContact CD1-CB 3.94Å; L816-A890 HydrophobicContact CD2-CB 4.18Å; A886-A890 WeakPolarHBondContact O-CB 3.25Å; A886-A890 PolarHBondContact O-N 3.06Å; L887-A890 PolarHBondContact O-N 3.2Å; H888-A890 VanDerWaalsContact C-N 3.3Å; H888-A890 PolarHBondContact O-N 3.29Å; A890-E892 VanDerWaalsContact C-N 3.33Å; A890-E892 PolarHBondContact O-N 2.88Å; A890-R893 PolarHBondContact O-N 3.22Å; A890-V894 VanDerWaalsContact O-CG2 3.23Å; A890-V894 WeakPolarHBondContact O-CG2 3.36Å; A890-V894 PolarHBondContact O-N 3.14Å; A890-L899 HydrophobicContact CB-CD2 4.19Å; A890-V909 HydrophobicContact CB-CG2 3.92Å |
| 891 | M | 91.7 | Very high | 90.4 | Very high | 117 Ų | 117 | 64.5 Ų | 64.5 | 58% | 0.576 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 177.8 | -72.9 | 174.6 | 62.7 | 0 | 0 | 112.8 | L887 H888 K895 | L887-M891 WeakPolarHBondContact O-CG 3.35Å; L887-M891 PolarHBondContact O-N 3.22Å; H888-M891 PolarHBondContact O-N 3.15Å; M891-K895 WeakPolarHBondContact O-CG 3.46Å; M891-K895 PolarHBondContact O-N 3.24Å; M891-K895 VanDerWaalsContact O-N 3.12Å |
| 892 | E | 92.4 | Very high | 90.2 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.2 | -45.3 | 179.3 | -166.2 | -170.5 | 141.3 | 0 | 0 | 111.7 | H888 T889 A890 V894 K895 Q896 | H888-E892 IonicContact CE1-OE2 3.86Å; H888-E892 IonicContact ND1-OE2 3.63Å; H888-E892 WeakPolarHBondContact O-CB 3.39Å; H888-E892 PolarHBondContact O-N 3.27Å; T889-E892 PolarHBondContact O-N 3.02Å; A890-E892 VanDerWaalsContact C-N 3.33Å; A890-E892 PolarHBondContact O-N 2.88Å; E892-V894 VanDerWaalsContact C-N 3.31Å; E892-V894 PolarHBondContact O-N 3.39Å; E892-K895 WeakPolarHBondContact O-CB 3.4Å; E892-K895 PolarHBondContact O-N 2.98Å; E892-K895 VanDerWaalsContact O-N 3.13Å; E892-Q896 WeakPolarHBondContact O-CG 3.2Å; E892-Q896 PolarHBondContact O-N 3.3Å; E892-Q896 PolarHBondContact OE1-NE2 3.31Å |
| 893 | R | 89.9 | Confident | 89.8 | Confident | 77 Ų | 77 | 63 Ų | 63 | 29% | 0.291 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.9 | -31.1 | 177.3 | -67.8 | -71 | 178.9 | 99 | -12.1 | 112.7 | T812 T889 A890 Q896 G897 K898 L899 | T812-R893 HydrophobicContact CG2-CB 4.29Å; T812-R893 HydrophobicContact CG2-CG 4.1Å; T812-R893 PolarHBondContact OG1-NH1 3.34Å; T889-R893 HydrophobicContact CG2-CG 4.33Å; T889-R893 WeakPolarHBondContact O-CB 3.28Å; T889-R893 VanDerWaalsContact O-CG 3.27Å; T889-R893 WeakPolarHBondContact O-CG 3.27Å; T889-R893 PolarHBondContact O-N 3.08Å; A890-R893 PolarHBondContact O-N 3.22Å; R893-Q896 PolarHBondContact O-N 3.45Å; R893-G897 PolarHBondContact O-N 3.31Å; R893-K898 HydrophobicContact CB-CB 4.49Å; R893-K898 PolarHBondContact O-N 3.41Å; R893-L899 HydrophobicContact CB-CB 3.65Å; R893-L899 PolarHBondContact O-N 3.48Å |
| 894 | V | 90.3 | Very high | 89.5 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 38% | 0.382 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 168.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | A890 E892 Q896 G897 L899 | A890-V894 VanDerWaalsContact O-CG2 3.23Å; A890-V894 WeakPolarHBondContact O-CG2 3.36Å; A890-V894 PolarHBondContact O-N 3.14Å; E892-V894 VanDerWaalsContact C-N 3.31Å; E892-V894 PolarHBondContact O-N 3.39Å; V894-Q896 VanDerWaalsContact C-N 3.27Å; V894-Q896 PolarHBondContact O-N 2.87Å; V894-G897 PolarHBondContact O-N 3.21Å; V894-G897 VanDerWaalsContact O-N 3.08Å; V894-L899 WeakPolarHBondContact CA-O 3.24Å; V894-L899 HydrophobicContact CG2-CB 4.19Å; V894-L899 HydrophobicContact CG2-CD2 4.11Å; V894-L899 HydrophobicContact CG2-CG 4.35Å; V894-L899 VanDerWaalsContact CG2-O 3.3Å; V894-L899 WeakPolarHBondContact CG2-O 3.48Å |
| 895 | K | 90 | Very high | 89.3 | Confident | 175 Ų | 175 | 62.6 Ų | 62.6 | 76% | 0.761 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.5 | -34.1 | 177 | -74.1 | 172.9 | 178.1 | -177.7 | 0 | 113 | M891 E892 G897 | M891-K895 WeakPolarHBondContact O-CG 3.46Å; M891-K895 PolarHBondContact O-N 3.24Å; M891-K895 VanDerWaalsContact O-N 3.12Å; E892-K895 WeakPolarHBondContact O-CB 3.4Å; E892-K895 PolarHBondContact O-N 2.98Å; E892-K895 VanDerWaalsContact O-N 3.13Å; K895-G897 VanDerWaalsContact C-N 3.26Å; K895-G897 PolarHBondContact O-N 3.13Å |
| 896 | Q | 89.1 | Confident | 89.1 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.3 | 177.1 | -69.8 | 167.3 | -0.4 | 0 | 0 | 113.4 | E892 R893 V894 K898 | E892-Q896 WeakPolarHBondContact O-CG 3.2Å; E892-Q896 PolarHBondContact O-N 3.3Å; E892-Q896 PolarHBondContact OE1-NE2 3.31Å; R893-Q896 PolarHBondContact O-N 3.45Å; V894-Q896 VanDerWaalsContact C-N 3.27Å; V894-Q896 PolarHBondContact O-N 2.87Å; Q896-K898 HydrophobicContact CB-CD 4.18Å; Q896-K898 HydrophobicContact CB-CG 4.16Å; Q896-K898 PolarHBondContact O-N 3.44Å; Q896-K898 VanDerWaalsContact O-N 3.09Å |
| 897 | G | 84.6 | Confident | 89.1 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 75.5 | -18.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | R893 V894 K895 L899 Y900 | R893-G897 PolarHBondContact O-N 3.31Å; V894-G897 PolarHBondContact O-N 3.21Å; V894-G897 VanDerWaalsContact O-N 3.08Å; K895-G897 VanDerWaalsContact C-N 3.26Å; K895-G897 PolarHBondContact O-N 3.13Å; G897-L899 PolarHBondContact O-N 3.49Å; G897-Y900 WeakPolarHBondContact O-CE2 3.46Å |
| 898 | K | 85.7 | Confident | 89 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 30% | 0.3 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -64.3 | -17.1 | -177.2 | -62.1 | 177 | 174.6 | -78.2 | 0 | 114.9 | E808 R893 Q896 | E808-K898 IonicContact OE1-NZ 2.59Å; E808-K898 PolarHBondContact OE1-NZ 2.65Å; E808-K898 WeakPolarHBondContact OE2-CD 3.38Å; E808-K898 WeakPolarHBondContact OE2-CE 3.23Å; E808-K898 VanDerWaalsContact OE2-CG 3.27Å; E808-K898 WeakPolarHBondContact OE2-CG 3.35Å; E808-K898 IonicContact OE2-NZ 2.69Å; E808-K898 PolarHBondContact OE2-NZ 2.95Å; R893-K898 HydrophobicContact CB-CB 4.49Å; R893-K898 PolarHBondContact O-N 3.41Å; Q896-K898 HydrophobicContact CB-CD 4.18Å; Q896-K898 HydrophobicContact CB-CG 4.16Å; Q896-K898 PolarHBondContact O-N 3.44Å; Q896-K898 VanDerWaalsContact O-N 3.09Å |
| 899 | L | 88.1 | Confident | 89 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -127 | 99.6 | 174.7 | -170.5 | 75.8 | 0 | 0 | 0 | 111.1 | T812 V813 L816 A890 R893 V894 G897 V905 | T812-L899 HydrophobicContact CG2-CD1 3.83Å; T812-L899 HydrophobicContact CG2-CD2 4.19Å; T812-L899 HydrophobicContact CG2-CG 4.46Å; V813-L899 HydrophobicContact CG2-CD1 3.83Å; L816-L899 HydrophobicContact CD1-CD2 4.04Å; A890-L899 HydrophobicContact CB-CD2 4.19Å; R893-L899 HydrophobicContact CB-CB 3.65Å; R893-L899 PolarHBondContact O-N 3.48Å; V894-L899 WeakPolarHBondContact CA-O 3.24Å; V894-L899 HydrophobicContact CG2-CB 4.19Å; V894-L899 HydrophobicContact CG2-CD2 4.11Å; V894-L899 HydrophobicContact CG2-CG 4.35Å; V894-L899 VanDerWaalsContact CG2-O 3.3Å; V894-L899 WeakPolarHBondContact CG2-O 3.48Å; G897-L899 PolarHBondContact O-N 3.49Å; L899-V905 HydrophobicContact CD1-CG2 3.9Å; L899-V905 HydrophobicContact CD2-CG1 3.99Å; L899-V905 HydrophobicContact CG-CG1 4.19Å; L899-V905 HydrophobicContact CG-CG2 4.22Å |
| 900 | Y | 85.9 | Confident | 89.1 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | trans | -71.7 | 142.4 | 176.4 | -57.9 | -100.1 | 0 | 0 | 0 | 111.6 | M805 H809 G897 S902 | M805-Y900 HydrophobicContact CE-CD2 3.27Å; M805-Y900 HydrophobicContact CE-CE2 4.14Å; M805-Y900 HydrophobicContact CE-CG 3.65Å; H809-Y900 PolarHBondContact CE1-O 3.41Å; H809-Y900 AromaticContact ND1-CD2 3.98Å; H809-Y900 PolarHBondContact ND1-N 2.84Å; G897-Y900 WeakPolarHBondContact O-CE2 3.46Å; Y900-S902 PolarHBondContact O-N 2.9Å | ||
| 901 | P | 85.4 | Confident | 89.2 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | trans | -73.7 | 62 | 178.7 | -21.3 | 35.7 | 0 | 0 | 0 | 115 | K906 | P901-K906 WeakPolarHBondContact O-CE 3.34Å; P901-K906 PolarHBondContact O-NZ 2.99Å | ||
| 902 | S | 86.7 | Confident | 89.3 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 5% | 0.049 | 35% | 0.345 | C | S | . | . | trans | -60.3 | 166.8 | 172.5 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | E801 Y900 T904 V905 K906 | E801-S902 WeakPolarHBondContact OE2-CB 3.37Å; Y900-S902 PolarHBondContact O-N 2.9Å; S902-T904 VanDerWaalsContact C-N 3.28Å; S902-T904 PolarHBondContact O-N 3.3Å; S902-V905 PolarHBondContact O-N 3.4Å; S902-V905 WeakPolarHBondContact OG-CB 3.22Å; S902-V905 VanDerWaalsContact OG-CG2 3.3Å; S902-V905 WeakPolarHBondContact OG-CG2 3.07Å; S902-V905 PolarHBondContact OG-N 3.35Å; S902-V905 VanDerWaalsContact OG-N 3.16Å; S902-K906 WeakPolarHBondContact O-CD 3.4Å; S902-K906 WeakPolarHBondContact O-CG 3.33Å; S902-K906 PolarHBondContact O-N 3.27Å | ||
| 903 | A | 84.9 | Confident | 89.4 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56.2 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K906 Q907 | A903-K906 PolarHBondContact O-N 2.67Å; A903-Q907 PolarHBondContact O-N 3.2Å |
| 904 | T | 85.8 | Confident | 89.7 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.9 | -40.8 | 179.4 | -21.1 | 0 | 0 | 0 | 0 | 112.9 | E802 S902 K906 Q907 V908 | E802-T904 WeakPolarHBondContact OE1-CB 3.42Å; E802-T904 PolarHBondContact OE1-OG1 3.2Å; S902-T904 VanDerWaalsContact C-N 3.28Å; S902-T904 PolarHBondContact O-N 3.3Å; T904-K906 VanDerWaalsContact C-N 3.31Å; T904-K906 PolarHBondContact O-N 3.03Å; T904-Q907 PolarHBondContact O-N 2.7Å; T904-Q907 VanDerWaalsContact O-N 3.12Å; T904-V908 HydrophobicContact CG2-CG2 4.5Å; T904-V908 WeakPolarHBondContact O-CG2 3.03Å; T904-V908 PolarHBondContact O-N 2.93Å |
| 905 | V | 89.1 | Confident | 89.8 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 175 | 166.5 | 0 | 0 | 0 | 0 | 110.2 | V813 L899 S902 Q907 V908 V909 | V813-V905 HydrophobicContact CG2-CG2 3.64Å; L899-V905 HydrophobicContact CD1-CG2 3.9Å; L899-V905 HydrophobicContact CD2-CG1 3.99Å; L899-V905 HydrophobicContact CG-CG1 4.19Å; L899-V905 HydrophobicContact CG-CG2 4.22Å; S902-V905 PolarHBondContact O-N 3.4Å; S902-V905 WeakPolarHBondContact OG-CB 3.22Å; S902-V905 VanDerWaalsContact OG-CG2 3.3Å; S902-V905 WeakPolarHBondContact OG-CG2 3.07Å; S902-V905 PolarHBondContact OG-N 3.35Å; S902-V905 VanDerWaalsContact OG-N 3.16Å; V905-Q907 VanDerWaalsContact C-N 3.31Å; V905-Q907 PolarHBondContact O-N 3.49Å; V905-V908 PolarHBondContact O-N 2.93Å; V905-V909 HydrophobicContact CG1-CG2 4.26Å; V905-V909 VanDerWaalsContact O-CB 3.32Å; V905-V909 WeakPolarHBondContact O-CB 3.45Å; V905-V909 VanDerWaalsContact O-CG2 3.29Å; V905-V909 WeakPolarHBondContact O-CG2 3.41Å; V905-V909 PolarHBondContact O-N 3.23Å |
| 906 | K | 89.6 | Confident | 90 | Very high | 119 Ų | 119 | 63 Ų | 63 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 175 | -72.6 | 161.1 | 174.3 | 148.4 | 0 | 112.1 | P901 S902 A903 T904 R910 | P901-K906 WeakPolarHBondContact O-CE 3.34Å; P901-K906 PolarHBondContact O-NZ 2.99Å; S902-K906 WeakPolarHBondContact O-CD 3.4Å; S902-K906 WeakPolarHBondContact O-CG 3.33Å; S902-K906 PolarHBondContact O-N 3.27Å; A903-K906 PolarHBondContact O-N 2.67Å; T904-K906 VanDerWaalsContact C-N 3.31Å; T904-K906 PolarHBondContact O-N 3.03Å; K906-R910 WeakPolarHBondContact O-CB 3.38Å; K906-R910 PolarHBondContact O-N 3.33Å; K906-R910 VanDerWaalsContact O-N 3.12Å |
| 907 | Q | 92.5 | Very high | 90.2 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.7 | -48.9 | 177.3 | -177.4 | 176.7 | -5.5 | 0 | 0 | 112.6 | A903 T904 V905 R910 R911 | A903-Q907 PolarHBondContact O-N 3.2Å; T904-Q907 PolarHBondContact O-N 2.7Å; T904-Q907 VanDerWaalsContact O-N 3.12Å; V905-Q907 VanDerWaalsContact C-N 3.31Å; V905-Q907 PolarHBondContact O-N 3.49Å; Q907-R910 PolarHBondContact O-N 3.44Å; Q907-R911 PolarHBondContact O-N 2.92Å |
| 908 | V | 91.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 65.6 Ų | 65.6 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | -179.3 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L816 R817 T904 V905 R910 R911 L912 | L816-V908 HydrophobicContact CB-CG1 3.84Å; R817-V908 HydrophobicContact CG-CG2 4.23Å; T904-V908 HydrophobicContact CG2-CG2 4.5Å; T904-V908 WeakPolarHBondContact O-CG2 3.03Å; T904-V908 PolarHBondContact O-N 2.93Å; V905-V908 PolarHBondContact O-N 2.93Å; V908-R910 VanDerWaalsContact C-N 3.34Å; V908-R910 PolarHBondContact O-N 3.34Å; V908-R911 PolarHBondContact O-N 3.19Å; V908-R911 VanDerWaalsContact O-N 3.14Å; V908-L912 HydrophobicContact CG1-CD1 3.93Å; V908-L912 HydrophobicContact CG1-CG 4.35Å; V908-L912 WeakPolarHBondContact O-CG 3.21Å; V908-L912 PolarHBondContact O-N 3.41Å |
| 909 | V | 92.6 | Very high | 90.9 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | L887 A890 V905 N913 | L887-V909 HydrophobicContact CD2-CG1 4Å; A890-V909 HydrophobicContact CB-CG2 3.92Å; V905-V909 HydrophobicContact CG1-CG2 4.26Å; V905-V909 VanDerWaalsContact O-CB 3.32Å; V905-V909 WeakPolarHBondContact O-CB 3.45Å; V905-V909 VanDerWaalsContact O-CG2 3.29Å; V905-V909 WeakPolarHBondContact O-CG2 3.41Å; V905-V909 PolarHBondContact O-N 3.23Å; V909-N913 WeakPolarHBondContact O-CB 3.22Å; V909-N913 PolarHBondContact O-N 3.43Å; V909-N913 VanDerWaalsContact O-N 3.09Å |
| 910 | R | 93.5 | Very high | 91 | Very high | 154 Ų | 154 | 63.9 Ų | 63.9 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | 172 | -175.9 | -171.7 | -60.5 | 138.7 | 2.1 | 111 | K906 Q907 V908 N913 E914 | K906-R910 WeakPolarHBondContact O-CB 3.38Å; K906-R910 PolarHBondContact O-N 3.33Å; K906-R910 VanDerWaalsContact O-N 3.12Å; Q907-R910 PolarHBondContact O-N 3.44Å; V908-R910 VanDerWaalsContact C-N 3.34Å; V908-R910 PolarHBondContact O-N 3.34Å; R910-N913 WeakPolarHBondContact O-CB 3.46Å; R910-N913 PolarHBondContact O-N 3.02Å; R910-E914 WeakPolarHBondContact O-CG 3.31Å; R910-E914 PolarHBondContact O-N 3.35Å |
| 911 | R | 94.3 | Very high | 91.2 | Very high | 116 Ų | 116 | 60.9 Ų | 60.9 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | -178.2 | -167.4 | 57.9 | 168.9 | 177.1 | -1 | 112.8 | L820 Q907 V908 N913 E914 L915 | L820-R911 HydrophobicContact CD1-CB 4.3Å; L820-R911 HydrophobicContact CD1-CG 3.67Å; L820-R911 HydrophobicContact CD2-CB 4.33Å; L820-R911 HydrophobicContact CD2-CG 4.15Å; Q907-R911 PolarHBondContact O-N 2.92Å; V908-R911 PolarHBondContact O-N 3.19Å; V908-R911 VanDerWaalsContact O-N 3.14Å; R911-N913 VanDerWaalsContact C-N 3.28Å; R911-N913 PolarHBondContact O-N 2.87Å; R911-E914 WeakPolarHBondContact CD-OE2 3.46Å; R911-E914 IonicContact CZ-OE2 3.47Å; R911-E914 IonicContact NE-OE2 3.32Å; R911-E914 IonicContact NH1-OE2 3.37Å; R911-E914 PolarHBondContact NH1-OE2 2.94Å; R911-E914 WeakPolarHBondContact O-CB 3.42Å; R911-E914 PolarHBondContact O-N 3.4Å; R911-L915 HydrophobicContact CG-CD1 4.44Å; R911-L915 WeakPolarHBondContact O-CG 3.48Å; R911-L915 PolarHBondContact O-N 2.94Å |
| 912 | L | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 172.6 | -68.3 | 168.4 | 0 | 0 | 0 | 111.3 | L816 L820 L883 A886 L887 V908 Y916 | L816-L912 HydrophobicContact CB-CD1 4.36Å; L816-L912 HydrophobicContact CD2-CD1 3.94Å; L820-L912 HydrophobicContact CB-CD2 3.98Å; L820-L912 HydrophobicContact CD1-CD2 4.35Å; L883-L912 HydrophobicContact CD2-CB 4.14Å; L883-L912 HydrophobicContact CD2-CD2 3.41Å; L883-L912 VanDerWaalsContact CD2-CD2 3.41Å; L883-L912 HydrophobicContact CD2-CG 4.38Å; A886-L912 HydrophobicContact CB-CD1 4.45Å; L887-L912 HydrophobicContact CD2-CB 3.85Å; L887-L912 HydrophobicContact CG-CB 4.23Å; V908-L912 HydrophobicContact CG1-CD1 3.93Å; V908-L912 HydrophobicContact CG1-CG 4.35Å; V908-L912 WeakPolarHBondContact O-CG 3.21Å; V908-L912 PolarHBondContact O-N 3.41Å; L912-Y916 WeakPolarHBondContact O-CB 3.42Å; L912-Y916 PolarHBondContact O-N 3.44Å |
| 913 | N | 94.7 | Very high | 91.6 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 177.1 | -170.7 | 6.9 | 0 | 0 | 0 | 113.1 | L887 V909 R910 R911 Y916 K917 | L887-N913 HydrophobicContact CD1-CB 4.45Å; L887-N913 HydrophobicContact CD2-CB 4.3Å; V909-N913 WeakPolarHBondContact O-CB 3.22Å; V909-N913 PolarHBondContact O-N 3.43Å; V909-N913 VanDerWaalsContact O-N 3.09Å; R910-N913 WeakPolarHBondContact O-CB 3.46Å; R910-N913 PolarHBondContact O-N 3.02Å; R911-N913 VanDerWaalsContact C-N 3.28Å; R911-N913 PolarHBondContact O-N 2.87Å; N913-Y916 PolarHBondContact O-N 3.45Å; N913-K917 WeakPolarHBondContact O-CG 3.45Å; N913-K917 PolarHBondContact O-N 3.39Å; N913-K917 VanDerWaalsContact OD1-CE 3.24Å; N913-K917 WeakPolarHBondContact OD1-CE 3.33Å |
| 914 | E | 95.3 | Very high | 91.7 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 171.5 | -73.2 | 166.6 | -165.7 | 0 | 0 | 111.5 | R910 R911 Y916 K917 S918 | R910-E914 WeakPolarHBondContact O-CG 3.31Å; R910-E914 PolarHBondContact O-N 3.35Å; R911-E914 WeakPolarHBondContact CD-OE2 3.46Å; R911-E914 IonicContact CZ-OE2 3.47Å; R911-E914 IonicContact NE-OE2 3.32Å; R911-E914 IonicContact NH1-OE2 3.37Å; R911-E914 PolarHBondContact NH1-OE2 2.94Å; R911-E914 WeakPolarHBondContact O-CB 3.42Å; R911-E914 PolarHBondContact O-N 3.4Å; E914-Y916 VanDerWaalsContact C-N 3.3Å; E914-Y916 PolarHBondContact O-N 3.34Å; E914-K917 PolarHBondContact O-N 2.96Å; E914-S918 WeakPolarHBondContact O-CB 3.39Å; E914-S918 PolarHBondContact O-N 3.44Å |
| 915 | L | 92.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 178.8 | -62.4 | 176.3 | 0 | 0 | 0 | 112.1 | L820 V823 L824 M827 L883 R911 S918 S919 | L820-L915 HydrophobicContact CD1-CD1 3.42Å; L820-L915 VanDerWaalsContact CD1-CD1 3.42Å; V823-L915 HydrophobicContact CG1-CB 4.33Å; V823-L915 HydrophobicContact CG1-CD1 3.86Å; L824-L915 HydrophobicContact CD2-CD1 3.77Å; L824-L915 HydrophobicContact CD2-CD2 4.07Å; L824-L915 HydrophobicContact CG-CD1 4.08Å; M827-L915 HydrophobicContact CE-CD2 4.4Å; M827-L915 HydrophobicContact SD-CB 4.36Å; M827-L915 HydrophobicContact SD-CD2 3.94Å; L883-L915 HydrophobicContact CD1-CB 3.8Å; R911-L915 HydrophobicContact CG-CD1 4.44Å; R911-L915 WeakPolarHBondContact O-CG 3.48Å; R911-L915 PolarHBondContact O-N 2.94Å; L915-S918 PolarHBondContact O-N 2.81Å; L915-S919 VanDerWaalsContact O-CB 3.31Å; L915-S919 WeakPolarHBondContact O-CB 3.35Å; L915-S919 PolarHBondContact O-N 3.22Å; L915-S919 PolarHBondContact O-OG 3.05Å |
| 916 | Y | 95.2 | Very high | 91.6 | Very high | 79 Ų | 79 | 67.1 Ų | 67.1 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 176 | 176.5 | -109.5 | 0 | 0 | 0 | 110.8 | A880 L883 L887 L912 N913 E914 S918 S919 V920 | A880-Y916 HydrophobicContact CB-CD2 4.39Å; A880-Y916 HydrophobicContact CB-CE2 4.26Å; A880-Y916 WeakPolarHBondContact O-CE2 2.95Å; L883-Y916 HydrophobicContact CB-CD2 4.02Å; L887-Y916 HydrophobicContact CD1-CD1 4.48Å; L887-Y916 HydrophobicContact CD1-CG 4.25Å; L912-Y916 WeakPolarHBondContact O-CB 3.42Å; L912-Y916 PolarHBondContact O-N 3.44Å; N913-Y916 PolarHBondContact O-N 3.45Å; E914-Y916 VanDerWaalsContact C-N 3.3Å; E914-Y916 PolarHBondContact O-N 3.34Å; Y916-S918 VanDerWaalsContact C-N 3.32Å; Y916-S918 PolarHBondContact O-N 2.93Å; Y916-S919 PolarHBondContact O-N 3.45Å; Y916-V920 HydrophobicContact CD2-CG2 4.21Å; Y916-V920 HydrophobicContact CE1-CG2 4.29Å; Y916-V920 HydrophobicContact CE2-CG2 3.82Å; Y916-V920 WeakPolarHBondContact O-CB 3.36Å; Y916-V920 WeakPolarHBondContact O-CG2 3.15Å; Y916-V920 PolarHBondContact O-N 2.92Å |
| 917 | K | 93.1 | Very high | 91.2 | Very high | 134 Ų | 134 | 62.6 Ų | 62.6 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.2 | -43 | 174.9 | -71.1 | 168.7 | 179.2 | 174.4 | 0 | 111.8 | N913 E914 A921 | N913-K917 WeakPolarHBondContact O-CG 3.45Å; N913-K917 PolarHBondContact O-N 3.39Å; N913-K917 VanDerWaalsContact OD1-CE 3.24Å; N913-K917 WeakPolarHBondContact OD1-CE 3.33Å; E914-K917 PolarHBondContact O-N 2.96Å; K917-A921 WeakPolarHBondContact O-CB 3.34Å; K917-A921 PolarHBondContact O-N 3Å |
| 918 | S | 93.6 | Very high | 90.7 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -50.5 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | E914 L915 Y916 V920 A921 S922 | E914-S918 WeakPolarHBondContact O-CB 3.39Å; E914-S918 PolarHBondContact O-N 3.44Å; L915-S918 PolarHBondContact O-N 2.81Å; Y916-S918 VanDerWaalsContact C-N 3.32Å; Y916-S918 PolarHBondContact O-N 2.93Å; S918-V920 PolarHBondContact O-N 2.95Å; S918-A921 WeakPolarHBondContact O-CB 3.5Å; S918-A921 PolarHBondContact O-N 3.27Å; S918-A921 VanDerWaalsContact O-N 3.15Å; S918-S922 PolarHBondContact O-N 2.98Å; S918-S922 PolarHBondContact O-OG 3.25Å |
| 919 | S | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | T879 L915 Y916 S922 C923 | T879-S919 WeakPolarHBondContact CG2-OG 3.48Å; L915-S919 VanDerWaalsContact O-CB 3.31Å; L915-S919 WeakPolarHBondContact O-CB 3.35Å; L915-S919 PolarHBondContact O-N 3.22Å; L915-S919 PolarHBondContact O-OG 3.05Å; Y916-S919 PolarHBondContact O-N 3.45Å; S919-S922 PolarHBondContact O-N 3Å; S919-C923 WeakPolarHBondContact O-CB 3.28Å; S919-C923 PolarHBondContact O-N 3.4Å; S919-C923 PolarHBondContact O-SG 2.97Å |
| 920 | V | 90.6 | Very high | 89.4 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | A880 Y916 S918 R924 | A880-V920 HydrophobicContact CB-CG2 4.17Å; Y916-V920 HydrophobicContact CD2-CG2 4.21Å; Y916-V920 HydrophobicContact CE1-CG2 4.29Å; Y916-V920 HydrophobicContact CE2-CG2 3.82Å; Y916-V920 WeakPolarHBondContact O-CB 3.36Å; Y916-V920 WeakPolarHBondContact O-CG2 3.15Å; Y916-V920 PolarHBondContact O-N 2.92Å; S918-V920 PolarHBondContact O-N 2.95Å; V920-R924 WeakPolarHBondContact O-CG 3.26Å; V920-R924 PolarHBondContact O-N 3.37Å; V920-R924 VanDerWaalsContact O-N 3.12Å |
| 921 | A | 90.1 | Very high | 88.3 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K917 S918 C923 R924 S925 | K917-A921 WeakPolarHBondContact O-CB 3.34Å; K917-A921 PolarHBondContact O-N 3Å; S918-A921 WeakPolarHBondContact O-CB 3.5Å; S918-A921 PolarHBondContact O-N 3.27Å; S918-A921 VanDerWaalsContact O-N 3.15Å; A921-C923 PolarHBondContact O-N 2.74Å; A921-R924 PolarHBondContact O-N 2.87Å; A921-S925 PolarHBondContact O-N 3.07Å; A921-S925 VanDerWaalsContact O-N 3.08Å |
| 922 | S | 90.6 | Very high | 87.1 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 173.9 | -63.3 | 0 | 0 | 0 | 0 | 112 | S918 S919 R924 S925 L926 | S918-S922 PolarHBondContact O-N 2.98Å; S918-S922 PolarHBondContact O-OG 3.25Å; S919-S922 PolarHBondContact O-N 3Å; S922-R924 VanDerWaalsContact C-N 3.32Å; S922-R924 PolarHBondContact O-N 2.9Å; S922-S925 PolarHBondContact O-N 3.47Å; S922-L926 WeakPolarHBondContact O-CB 3.37Å; S922-L926 WeakPolarHBondContact O-CG 3.44Å; S922-L926 PolarHBondContact O-N 2.78Å |
| 923 | C | 88.9 | Confident | 85.9 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.1 | -43.5 | 176.1 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | L873 Y876 L877 S919 A921 L926 S927 | L873-C923 HydrophobicContact CD1-CB 4.08Å; Y876-C923 VanDerWaalsContact CB-SG 3.53Å; L877-C923 HydrophobicContact CD2-CB 4.38Å; S919-C923 WeakPolarHBondContact O-CB 3.28Å; S919-C923 PolarHBondContact O-N 3.4Å; S919-C923 PolarHBondContact O-SG 2.97Å; A921-C923 PolarHBondContact O-N 2.74Å; C923-L926 PolarHBondContact O-N 3.43Å; C923-S927 WeakPolarHBondContact O-CB 3.4Å; C923-S927 PolarHBondContact O-N 3.11Å |
| 924 | R | 86.4 | Confident | 84.5 | Confident | 184 Ų | 184 | 60.1 Ų | 60.1 | 69% | 0.694 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -48.4 | 178 | -71 | 171.3 | -173.4 | -160 | 1.5 | 111.6 | V920 A921 S922 L926 S927 T928 | V920-R924 WeakPolarHBondContact O-CG 3.26Å; V920-R924 PolarHBondContact O-N 3.37Å; V920-R924 VanDerWaalsContact O-N 3.12Å; A921-R924 PolarHBondContact O-N 2.87Å; S922-R924 VanDerWaalsContact C-N 3.32Å; S922-R924 PolarHBondContact O-N 2.9Å; R924-L926 VanDerWaalsContact C-N 3.31Å; R924-L926 PolarHBondContact O-N 3.49Å; R924-S927 PolarHBondContact O-N 3.37Å; R924-T928 PolarHBondContact O-N 3.41Å; R924-T928 VanDerWaalsContact O-N 3.13Å; R924-T928 PolarHBondContact O-OG1 3.46Å |
| 925 | S | 87.5 | Confident | 82.9 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -33.8 | 179.5 | -172.2 | 0 | 0 | 0 | 0 | 113.2 | A921 S922 T928 H929 | A921-S925 PolarHBondContact O-N 3.07Å; A921-S925 VanDerWaalsContact O-N 3.08Å; S922-S925 PolarHBondContact O-N 3.47Å; S925-T928 PolarHBondContact O-OG1 3.02Å; S925-H929 PolarHBondContact O-N 2.88Å |
| 926 | L | 85.4 | Confident | 81.3 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.4 | -38.8 | 176.3 | -77.3 | 161.8 | 0 | 0 | 0 | 111.8 | H869 Q872 L873 Y876 S922 C923 R924 H929 L930 | H869-L926 HydrophobicContact CB-CD2 3.89Å; Q872-L926 HydrophobicContact CB-CD1 3.96Å; Q872-L926 HydrophobicContact CB-CD2 4.36Å; L873-L926 HydrophobicContact CB-CB 4.15Å; L873-L926 HydrophobicContact CB-CD1 4.49Å; L873-L926 HydrophobicContact CD1-CB 4.05Å; Y876-L926 HydrophobicContact CD2-CD1 3.54Å; Y876-L926 HydrophobicContact CE2-CD1 3.95Å; S922-L926 WeakPolarHBondContact O-CB 3.37Å; S922-L926 WeakPolarHBondContact O-CG 3.44Å; S922-L926 PolarHBondContact O-N 2.78Å; C923-L926 PolarHBondContact O-N 3.43Å; R924-L926 VanDerWaalsContact C-N 3.31Å; R924-L926 PolarHBondContact O-N 3.49Å; L926-H929 PolarHBondContact O-N 3.36Å; L926-L930 WeakPolarHBondContact O-CB 3.2Å; L926-L930 VanDerWaalsContact O-CG 3.31Å; L926-L930 WeakPolarHBondContact O-CG 3.38Å; L926-L930 PolarHBondContact O-N 2.89Å |
| 927 | S | 82.8 | Confident | 79.5 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.7 | -53.6 | 174.2 | -166 | 0 | 0 | 0 | 0 | 111.3 | C923 R924 H929 L930 E931 | C923-S927 WeakPolarHBondContact O-CB 3.4Å; C923-S927 PolarHBondContact O-N 3.11Å; R924-S927 PolarHBondContact O-N 3.37Å; S927-H929 VanDerWaalsContact C-N 3.25Å; S927-H929 PolarHBondContact O-N 3.23Å; S927-L930 PolarHBondContact O-N 2.72Å; S927-E931 VanDerWaalsContact C-OE1 3.23Å; S927-E931 WeakPolarHBondContact CB-OE1 3.21Å; S927-E931 VanDerWaalsContact O-CG 3.27Å; S927-E931 WeakPolarHBondContact O-CG 3.32Å; S927-E931 PolarHBondContact O-N 2.86Å; S927-E931 PolarHBondContact OG-OE1 2.81Å |
| 928 | T | 80.8 | Confident | 77.7 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -30 | -178.2 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | R924 S925 | R924-T928 PolarHBondContact O-N 3.41Å; R924-T928 VanDerWaalsContact O-N 3.13Å; R924-T928 PolarHBondContact O-OG1 3.46Å; S925-T928 PolarHBondContact O-OG1 3.02Å |
| 929 | H | 79.4 | Confident | 75.7 | Confident | 103 Ų | 103 | 79.6 Ų | 79.6 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 173 | -170.9 | -170 | 0 | 0 | 0 | 111.8 | H869 S925 L926 S927 | H869-H929 AromaticContact CD2-CE1 3.91Å; H869-H929 AromaticContact CD2-ND1 3.52Å; H869-H929 AromaticContact CE1-CE1 3.96Å; H869-H929 AromaticContact NE2-CE1 3.64Å; H869-H929 AromaticContact NE2-ND1 3.66Å; S925-H929 PolarHBondContact O-N 2.88Å; L926-H929 PolarHBondContact O-N 3.36Å; S927-H929 VanDerWaalsContact C-N 3.25Å; S927-H929 PolarHBondContact O-N 3.23Å |
| 930 | L | 77.4 | Confident | 73.8 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.9 | -23.5 | -177.1 | -71.1 | 166.9 | 0 | 0 | 0 | 113.9 | H869 A870 L873 L926 S927 H932 F933 F934 | H869-L930 HydrophobicContact CB-CD1 4.47Å; H869-L930 HydrophobicContact CB-CD2 4.07Å; H869-L930 HydrophobicContact CB-CG 4.38Å; A870-L930 HydrophobicContact CB-CD1 4.32Å; A870-L930 HydrophobicContact CB-CD2 4.36Å; L873-L930 HydrophobicContact CB-CD1 4.08Å; L873-L930 HydrophobicContact CD2-CD1 3.71Å; L926-L930 WeakPolarHBondContact O-CB 3.2Å; L926-L930 VanDerWaalsContact O-CG 3.31Å; L926-L930 WeakPolarHBondContact O-CG 3.38Å; L926-L930 PolarHBondContact O-N 2.89Å; S927-L930 PolarHBondContact O-N 2.72Å; L930-H932 VanDerWaalsContact C-N 3.3Å; L930-H932 PolarHBondContact O-N 3.09Å; L930-F933 HydrophobicContact CD2-CD1 4.04Å; L930-F933 WeakPolarHBondContact O-CA 3.43Å; L930-F933 WeakPolarHBondContact O-CB 3.37Å; L930-F933 PolarHBondContact O-N 2.96Å; L930-F934 HydrophobicContact CB-CD2 4.19Å; L930-F934 HydrophobicContact CB-CE2 3.62Å; L930-F934 HydrophobicContact CB-CZ 3.94Å; L930-F934 HydrophobicContact CD1-CZ 4.37Å; L930-F934 HydrophobicContact CD2-CZ 4.37Å; L930-F934 HydrophobicContact CG-CZ 4.47Å; L930-F934 VanDerWaalsContact O-CD2 3.26Å; L930-F934 WeakPolarHBondContact O-CD2 3.38Å; L930-F934 WeakPolarHBondContact O-CG 3.24Å; L930-F934 PolarHBondContact O-N 2.88Å |
| 931 | E | 71.6 | Confident | 72 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.8 | -43 | 174.2 | -79.7 | 154.7 | -142.3 | 0 | 0 | 111.7 | S927 F933 S935 | S927-E931 VanDerWaalsContact C-OE1 3.23Å; S927-E931 WeakPolarHBondContact CB-OE1 3.21Å; S927-E931 VanDerWaalsContact O-CG 3.27Å; S927-E931 WeakPolarHBondContact O-CG 3.32Å; S927-E931 PolarHBondContact O-N 2.86Å; S927-E931 PolarHBondContact OG-OE1 2.81Å; E931-F933 VanDerWaalsContact C-N 3.3Å; E931-F933 PolarHBondContact O-N 2.94Å; E931-S935 WeakPolarHBondContact O-CB 3.36Å; E931-S935 PolarHBondContact O-N 2.79Å; E931-S935 VanDerWaalsContact O-N 3.15Å; E931-S935 PolarHBondContact O-OG 2.87Å |
| 932 | H | 67.4 | Low | 70.1 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 69% | 0.694 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.8 | -27.1 | 173.6 | -70.5 | -52.8 | 0 | 0 | 0 | 114 | L930 | L930-H932 VanDerWaalsContact C-N 3.3Å; L930-H932 PolarHBondContact O-N 3.09Å |
| 933 | F | 68.2 | Low | 68.3 | Low | 18 Ų | 18 | 89.1 Ų | 89.1 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -78.5 | -49.6 | 177.9 | 168.3 | -110.2 | 0 | 0 | 0 | 111.6 | L863 E866 L930 E931 S935 R936 K937 L940 | L863-F933 HydrophobicContact CD2-CE2 4.15Å; L863-F933 HydrophobicContact CD2-CZ 4.48Å; E866-F933 HydrophobicContact CB-CD2 3.76Å; E866-F933 HydrophobicContact CB-CE1 4.35Å; E866-F933 HydrophobicContact CB-CE2 3.54Å; E866-F933 HydrophobicContact CB-CG 4.25Å; E866-F933 HydrophobicContact CB-CZ 3.83Å; E866-F933 HydrophobicContact CG-CD2 3.72Å; E866-F933 HydrophobicContact CG-CE2 3.9Å; E866-F933 HydrophobicContact CG-CG 4.38Å; E866-F933 VanDerWaalsContact OE2-CD2 3.25Å; E866-F933 WeakPolarHBondContact OE2-CD2 3.35Å; E866-F933 WeakPolarHBondContact OE2-CE2 3.44Å; L930-F933 HydrophobicContact CD2-CD1 4.04Å; L930-F933 WeakPolarHBondContact O-CA 3.43Å; L930-F933 WeakPolarHBondContact O-CB 3.37Å; L930-F933 PolarHBondContact O-N 2.96Å; E931-F933 VanDerWaalsContact C-N 3.3Å; E931-F933 PolarHBondContact O-N 2.94Å; F933-S935 VanDerWaalsContact C-N 3.3Å; F933-S935 PolarHBondContact O-N 2.81Å; F933-R936 PolarHBondContact O-N 2.89Å; F933-R936 VanDerWaalsContact O-N 3.08Å; F933-K937 HydrophobicContact CD2-CD 4.22Å; F933-K937 HydrophobicContact CE2-CD 3.72Å; F933-K937 HydrophobicContact CZ-CD 4.5Å; F933-K937 PolarHBondContact O-N 2.73Å; F933-L940 HydrophobicContact CE1-CD2 3.88Å; F933-L940 HydrophobicContact CE2-CD2 4.34Å; F933-L940 HydrophobicContact CZ-CD2 3.37Å |
| 934 | F | 66.3 | Low | 66.7 | Low | 35 Ų | 35 | 88.6 Ų | 88.6 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 178.9 | -60 | -41 | 0 | 0 | 0 | 111.7 | L612 L616 L930 R936 K937 M941 I944 | L612-F934 HydrophobicContact CD2-CE2 4.15Å; L612-F934 HydrophobicContact CD2-CZ 3.82Å; L616-F934 HydrophobicContact CD1-CD2 3.85Å; L616-F934 HydrophobicContact CD1-CE2 3.74Å; L930-F934 HydrophobicContact CB-CD2 4.19Å; L930-F934 HydrophobicContact CB-CE2 3.62Å; L930-F934 HydrophobicContact CB-CZ 3.94Å; L930-F934 HydrophobicContact CD1-CZ 4.37Å; L930-F934 HydrophobicContact CD2-CZ 4.37Å; L930-F934 HydrophobicContact CG-CZ 4.47Å; L930-F934 VanDerWaalsContact O-CD2 3.26Å; L930-F934 WeakPolarHBondContact O-CD2 3.38Å; L930-F934 WeakPolarHBondContact O-CG 3.24Å; L930-F934 PolarHBondContact O-N 2.88Å; F934-R936 PolarHBondContact O-N 3.14Å; F934-R936 VanDerWaalsContact O-N 3.09Å; F934-K937 PolarHBondContact O-N 3.47Å; F934-M941 HydrophobicContact CD1-CE 4.32Å; F934-M941 HydrophobicContact CE1-CE 4.49Å; F934-I944 HydrophobicContact CD1-CD1 4.02Å; F934-I944 HydrophobicContact CE1-CD1 3.63Å |
| 935 | S | 62.1 | Low | 65.1 | Low | 105 Ų | 105 | 82.7 Ų | 82.7 | 73% | 0.734 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.1 | 175.3 | -60 | 0 | 0 | 0 | 0 | 114.4 | E931 F933 | E931-S935 WeakPolarHBondContact O-CB 3.36Å; E931-S935 PolarHBondContact O-N 2.79Å; E931-S935 VanDerWaalsContact O-N 3.15Å; E931-S935 PolarHBondContact O-OG 2.87Å; F933-S935 VanDerWaalsContact C-N 3.3Å; F933-S935 PolarHBondContact O-N 2.81Å |
| 936 | R | 58.8 | Low | 63.9 | Low | 221 Ų | 221 | 81 Ų | 81 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -19.4 | -178.4 | -85.7 | 179.4 | 164.4 | 168.7 | -3.2 | 114.9 | F933 F934 | F933-R936 PolarHBondContact O-N 2.89Å; F933-R936 VanDerWaalsContact O-N 3.08Å; F934-R936 PolarHBondContact O-N 3.14Å; F934-R936 VanDerWaalsContact O-N 3.09Å |
| 937 | K | 57.3 | Low | 63.1 | Low | 73 Ų | 73 | 80.5 Ų | 80.5 | 32% | 0.317 | 39% | 0.392 | S | S | . | . | trans | -138.5 | 59.5 | -166.1 | -67.2 | 173.7 | -174.6 | 166.9 | 0 | 112.3 | L863 E866 F933 F934 R939 L940 | L863-K937 HydrophobicContact CD2-CD 4.11Å; E866-K937 IonicContact OE2-NZ 2.96Å; E866-K937 PolarHBondContact OE2-NZ 3.38Å; F933-K937 HydrophobicContact CD2-CD 4.22Å; F933-K937 HydrophobicContact CE2-CD 3.72Å; F933-K937 HydrophobicContact CZ-CD 4.5Å; F933-K937 PolarHBondContact O-N 2.73Å; F934-K937 PolarHBondContact O-N 3.47Å; K937-R939 PolarHBondContact O-N 2.8Å; K937-L940 HydrophobicContact CB-CB 4.35Å; K937-L940 VanDerWaalsContact O-CB 3.31Å; K937-L940 WeakPolarHBondContact O-CB 3.25Å; K937-L940 PolarHBondContact O-N 2.74Å | ||
| 938 | H | 54.4 | Low | 63 | Low | 155 Ų | 155 | 81.2 Ų | 81.2 | 72% | 0.718 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -46.3 | -40.5 | 177.1 | 70.7 | -88 | 0 | 0 | 0 | 113.4 | L940 M941 | H938-L940 PolarHBondContact O-N 2.86Å; H938-M941 WeakPolarHBondContact O-CG 3.44Å; H938-M941 PolarHBondContact O-N 3.02Å |
| 939 | R | 51.5 | Low | 63.2 | Low | 216 Ų | 216 | 77.5 Ų | 77.5 | 82% | 0.815 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -67.5 | 1.8 | -178.7 | -138.2 | -179.5 | -170.3 | -172.7 | 3.4 | 115.1 | K937 | K937-R939 PolarHBondContact O-N 2.8Š|
| 940 | L | 52.8 | Low | 63.4 | Low | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -97.8 | -15.4 | 176.3 | -138.3 | 84.8 | 0 | 0 | 0 | 113.2 | W867 F933 K937 H938 D942 Q943 I944 | W867-L940 HydrophobicContact CZ2-CD2 3.84Å; W867-L940 HydrophobicContact CZ2-CG 4.01Å; F933-L940 HydrophobicContact CE1-CD2 3.88Å; F933-L940 HydrophobicContact CE2-CD2 4.34Å; F933-L940 HydrophobicContact CZ-CD2 3.37Å; K937-L940 HydrophobicContact CB-CB 4.35Å; K937-L940 VanDerWaalsContact O-CB 3.31Å; K937-L940 WeakPolarHBondContact O-CB 3.25Å; K937-L940 PolarHBondContact O-N 2.74Å; H938-L940 PolarHBondContact O-N 2.86Å; L940-D942 VanDerWaalsContact C-N 3.26Å; L940-D942 PolarHBondContact O-N 2.93Å; L940-Q943 PolarHBondContact O-N 2.82Å; L940-Q943 VanDerWaalsContact O-N 3.14Å; L940-I944 HydrophobicContact CB-CD1 4.28Å; L940-I944 HydrophobicContact CD2-CD1 4.23Å; L940-I944 WeakPolarHBondContact O-CG1 3.42Å; L940-I944 PolarHBondContact O-N 2.89Å |
| 941 | M | 53.2 | Low | 63.7 | Low | 55 Ų | 55 | 79 Ų | 79 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -37 | -173.9 | -75.6 | -93.1 | 76 | 0 | 0 | 113 | V613 F934 H938 Q943 I944 S945 | V613-M941 HydrophobicContact CG2-CE 3.97Å; V613-M941 HydrophobicContact CG2-SD 4.29Å; F934-M941 HydrophobicContact CD1-CE 4.32Å; F934-M941 HydrophobicContact CE1-CE 4.49Å; H938-M941 WeakPolarHBondContact O-CG 3.44Å; H938-M941 PolarHBondContact O-N 3.02Å; M941-Q943 VanDerWaalsContact C-N 3.31Å; M941-Q943 PolarHBondContact O-N 2.87Å; M941-I944 HydrophobicContact CE-CB 4.13Å; M941-I944 HydrophobicContact CE-CD1 3.63Å; M941-I944 HydrophobicContact CE-CG1 4.5Å; M941-I944 HydrophobicContact CE-CG2 3.96Å; M941-I944 WeakPolarHBondContact O-CB 3.49Å; M941-I944 PolarHBondContact O-N 3.15Å; M941-S945 PolarHBondContact O-N 3.43Å |
| 942 | D | 50.3 | Low | 64.3 | Low | 129 Ų | 129 | 76 Ų | 76 | 69% | 0.69 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -38.5 | 179.7 | -56.7 | -39 | 0 | 0 | 0 | 112 | L940 S945 | L940-D942 VanDerWaalsContact C-N 3.26Å; L940-D942 PolarHBondContact O-N 2.93Å; D942-S945 WeakPolarHBondContact O-CB 3.41Å; D942-S945 PolarHBondContact O-OG 3.31Å |
| 943 | Q | 51.2 | Low | 65.2 | Low | 114 Ų | 114 | 68.8 Ų | 68.8 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.6 | -32.8 | 177.9 | -60.5 | -173.5 | -36.9 | 0 | 0 | 112.2 | W867 L940 M941 S945 S946 | W867-Q943 HydrophobicContact CH2-CB 3.63Å; W867-Q943 HydrophobicContact CZ2-CB 3.96Å; L940-Q943 PolarHBondContact O-N 2.82Å; L940-Q943 VanDerWaalsContact O-N 3.14Å; M941-Q943 VanDerWaalsContact C-N 3.31Å; M941-Q943 PolarHBondContact O-N 2.87Å; Q943-S945 VanDerWaalsContact C-N 3.25Å; Q943-S945 PolarHBondContact O-N 2.87Å; Q943-S946 WeakPolarHBondContact O-CB 3.16Å; Q943-S946 PolarHBondContact O-N 3.12Å; Q943-S946 PolarHBondContact O-OG 3.35Å |
| 944 | I | 55.2 | Low | 66 | Low | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 178.1 | -69.8 | 161.2 | 0 | 0 | 0 | 111.5 | L612 V613 W867 F934 L940 M941 S946 I947 | L612-I944 HydrophobicContact CB-CG2 4.48Å; L612-I944 HydrophobicContact CD2-CG2 3.85Å; V613-I944 HydrophobicContact CG2-CG2 4.47Å; W867-I944 HydrophobicContact CH2-CG1 4.17Å; F934-I944 HydrophobicContact CD1-CD1 4.02Å; F934-I944 HydrophobicContact CE1-CD1 3.63Å; L940-I944 HydrophobicContact CB-CD1 4.28Å; L940-I944 HydrophobicContact CD2-CD1 4.23Å; L940-I944 WeakPolarHBondContact O-CG1 3.42Å; L940-I944 PolarHBondContact O-N 2.89Å; M941-I944 HydrophobicContact CE-CB 4.13Å; M941-I944 HydrophobicContact CE-CD1 3.63Å; M941-I944 HydrophobicContact CE-CG1 4.5Å; M941-I944 HydrophobicContact CE-CG2 3.96Å; M941-I944 WeakPolarHBondContact O-CB 3.49Å; M941-I944 PolarHBondContact O-N 3.15Å; I944-S946 PolarHBondContact O-N 3.43Å; I944-I947 HydrophobicContact CG2-CD1 4.42Å; I944-I947 PolarHBondContact O-N 3.45Å |
| 945 | S | 53.2 | Low | 66.7 | Low | 60 Ų | 60 | 69.6 Ų | 69.6 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.4 | 173.1 | 77.4 | 0 | 0 | 0 | 0 | 114.2 | M941 D942 Q943 | M941-S945 PolarHBondContact O-N 3.43Å; D942-S945 WeakPolarHBondContact O-CB 3.41Å; D942-S945 PolarHBondContact O-OG 3.31Å; Q943-S945 VanDerWaalsContact C-N 3.25Å; Q943-S945 PolarHBondContact O-N 2.87Å |
| 946 | S | 62 | Low | 67.8 | Low | 45 Ų | 45 | 66.4 Ų | 66.4 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.7 | 179.6 | 81.9 | 0 | 0 | 0 | 0 | 114.7 | Q943 I944 T948 R951 | Q943-S946 WeakPolarHBondContact O-CB 3.16Å; Q943-S946 PolarHBondContact O-N 3.12Å; Q943-S946 PolarHBondContact O-OG 3.35Å; I944-S946 PolarHBondContact O-N 3.43Å; S946-T948 PolarHBondContact O-N 3.03Å; S946-R951 VanDerWaalsContact CB-NH1 3.34Å; S946-R951 PolarHBondContact O-NE 3.01Å; S946-R951 PolarHBondContact O-NH1 3.45Å; S946-R951 PolarHBondContact O-NH2 2.89Å; S946-R951 VanDerWaalsContact O-NH2 3.09Å; S946-R951 PolarHBondContact OG-NH1 2.8Å; S946-R951 PolarHBondContact OG-NH2 3.2Å; S946-R951 VanDerWaalsContact OG-NH2 3.12Å |
| 947 | I | 69.9 | Low | 69.2 | Low | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -84.7 | 100.8 | -178.7 | -45.3 | 174 | 0 | 0 | 0 | 109.7 | W867 A870 E871 V874 I944 L952 | W867-I947 HydrophobicContact CE3-CD1 3.93Å; W867-I947 HydrophobicContact CZ3-CD1 3.57Å; W867-I947 HydrophobicContact CZ3-CG1 3.96Å; A870-I947 HydrophobicContact CB-CD1 4.2Å; E871-I947 HydrophobicContact CG-CG2 4.28Å; V874-I947 HydrophobicContact CB-CG2 4.31Å; V874-I947 HydrophobicContact CG1-CG2 4.49Å; V874-I947 HydrophobicContact CG2-CB 4.43Å; V874-I947 HydrophobicContact CG2-CG2 3.9Å; I944-I947 HydrophobicContact CG2-CD1 4.42Å; I944-I947 PolarHBondContact O-N 3.45Å; I947-L952 HydrophobicContact CG2-CD1 3.77Å; I947-L952 HydrophobicContact CG2-CG 4.31Å | ||
| 948 | T | 80.8 | Confident | 70.3 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | trans | -115.6 | 153.6 | 171 | 96.3 | 0 | 0 | 0 | 0 | 110.6 | S946 E950 R951 L952 | S946-T948 PolarHBondContact O-N 3.03Å; T948-E950 VanDerWaalsContact C-N 3.25Å; T948-E950 WeakPolarHBondContact CB-OE2 3.19Å; T948-E950 PolarHBondContact O-N 3.44Å; T948-E950 PolarHBondContact OG1-N 3.34Å; T948-E950 PolarHBondContact OG1-OE2 3.14Å; T948-R951 PolarHBondContact O-N 3.06Å; T948-R951 PolarHBondContact OG1-N 3.31Å; T948-L952 WeakPolarHBondContact O-CG 3.5Å; T948-L952 PolarHBondContact O-N 3.35Å | ||
| 949 | A | 83.3 | Confident | 71.5 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V874 L875 K878 L952 L953 | V874-A949 HydrophobicContact CG1-CB 4.03Å; L875-A949 HydrophobicContact CD2-CB 4.45Å; K878-A949 HydrophobicContact CB-CB 3.71Å; K878-A949 HydrophobicContact CD-CB 4.07Å; K878-A949 HydrophobicContact CG-CB 3.68Å; A949-L952 PolarHBondContact O-N 3.41Å; A949-L953 VanDerWaalsContact O-CB 3.3Å; A949-L953 WeakPolarHBondContact O-CB 3.38Å; A949-L953 VanDerWaalsContact O-CG 3.29Å; A949-L953 WeakPolarHBondContact O-CG 3.22Å; A949-L953 PolarHBondContact O-N 3.32Å |
| 950 | E | 85.6 | Confident | 73.1 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 179.9 | -55 | 67.2 | -139.9 | 0 | 0 | 110.3 | T948 L953 F954 L990 L993 L994 | T948-E950 VanDerWaalsContact C-N 3.25Å; T948-E950 WeakPolarHBondContact CB-OE2 3.19Å; T948-E950 PolarHBondContact O-N 3.44Å; T948-E950 PolarHBondContact OG1-N 3.34Å; T948-E950 PolarHBondContact OG1-OE2 3.14Å; E950-L953 PolarHBondContact O-N 2.91Å; E950-F954 WeakPolarHBondContact O-CB 3.46Å; E950-F954 PolarHBondContact O-N 3.48Å; E950-L990 HydrophobicContact CB-CD1 3.74Å; E950-L990 HydrophobicContact CG-CD1 4.2Å; E950-L993 HydrophobicContact CG-CB 4.13Å; E950-L994 HydrophobicContact CB-CD2 4.32Å; E950-L994 HydrophobicContact CG-CD2 4.39Å |
| 951 | R | 81.9 | Confident | 74.6 | Confident | 115 Ų | 115 | 40 Ų | 40 | 43% | 0.434 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.2 | -164.6 | -178.4 | 77.8 | 177 | -4 | 112.1 | S946 T948 S955 | S946-R951 VanDerWaalsContact CB-NH1 3.34Å; S946-R951 PolarHBondContact O-NE 3.01Å; S946-R951 PolarHBondContact O-NH1 3.45Å; S946-R951 PolarHBondContact O-NH2 2.89Å; S946-R951 VanDerWaalsContact O-NH2 3.09Å; S946-R951 PolarHBondContact OG-NH1 2.8Å; S946-R951 PolarHBondContact OG-NH2 3.2Å; S946-R951 VanDerWaalsContact OG-NH2 3.12Å; T948-R951 PolarHBondContact O-N 3.06Å; T948-R951 PolarHBondContact OG1-N 3.31Å; R951-S955 WeakPolarHBondContact O-CB 3.45Å; R951-S955 PolarHBondContact O-N 3.16Å |
| 952 | L | 84.7 | Confident | 75.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 178.1 | -69.3 | 174.6 | 0 | 0 | 0 | 112.1 | E871 V874 L875 I947 T948 A949 H956 | E871-L952 HydrophobicContact CB-CD1 3.88Å; E871-L952 HydrophobicContact CB-CD2 4.22Å; E871-L952 HydrophobicContact CG-CD1 4.24Å; E871-L952 HydrophobicContact CG-CD2 3.88Å; E871-L952 WeakPolarHBondContact OE1-CD2 3.38Å; V874-L952 HydrophobicContact CB-CD1 4.43Å; V874-L952 HydrophobicContact CG1-CD1 4.34Å; L875-L952 HydrophobicContact CD1-CD1 4.33Å; L875-L952 HydrophobicContact CD2-CB 4.06Å; L875-L952 HydrophobicContact CD2-CD1 4.25Å; L875-L952 HydrophobicContact CG-CD1 3.98Å; I947-L952 HydrophobicContact CG2-CD1 3.77Å; I947-L952 HydrophobicContact CG2-CG 4.31Å; T948-L952 WeakPolarHBondContact O-CG 3.5Å; T948-L952 PolarHBondContact O-N 3.35Å; A949-L952 PolarHBondContact O-N 3.41Å; L952-H956 WeakPolarHBondContact O-CB 2.99Å; L952-H956 PolarHBondContact O-N 3.05Å |
| 953 | L | 86.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -50.9 | 174.1 | -80.8 | 175.2 | 0 | 0 | 0 | 111.4 | F822 L826 A949 E950 S955 H956 T957 L986 L990 L993 | F822-L953 HydrophobicContact CE2-CD1 4.33Å; F822-L953 HydrophobicContact CZ-CD1 3.91Å; L826-L953 HydrophobicContact CD2-CD1 4.17Å; L826-L953 HydrophobicContact CD2-CD2 3.73Å; L826-L953 HydrophobicContact CD2-CG 4.15Å; L826-L953 HydrophobicContact CG-CD2 4.11Å; A949-L953 VanDerWaalsContact O-CB 3.3Å; A949-L953 WeakPolarHBondContact O-CB 3.38Å; A949-L953 VanDerWaalsContact O-CG 3.29Å; A949-L953 WeakPolarHBondContact O-CG 3.22Å; A949-L953 PolarHBondContact O-N 3.32Å; E950-L953 PolarHBondContact O-N 2.91Å; L953-S955 PolarHBondContact O-N 2.68Å; L953-H956 PolarHBondContact O-N 2.6Å; L953-T957 WeakPolarHBondContact O-CB 3.16Å; L953-T957 PolarHBondContact O-N 3.12Å; L953-T957 PolarHBondContact O-OG1 3.3Å; L953-L986 HydrophobicContact CD2-CD1 4.47Å; L953-L986 HydrophobicContact CD2-CD2 3.98Å; L953-L990 HydrophobicContact CB-CD1 4.37Å; L953-L990 HydrophobicContact CD1-CD1 4.48Å; L953-L993 HydrophobicContact CD1-CD1 3.83Å |
| 954 | F | 85.1 | Confident | 78.6 | Confident | 18 Ų | 18 | 27.2 Ų | 27.2 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.1 | -49.9 | 178.7 | -173.8 | -97.5 | 0 | 0 | 0 | 111.2 | L672 L676 E950 H956 T957 V958 M987 L990 V1003 | L672-F954 HydrophobicContact CB-CE1 4.28Å; L672-F954 HydrophobicContact CB-CZ 4.23Å; L672-F954 HydrophobicContact CD2-CD1 3.97Å; L672-F954 HydrophobicContact CD2-CE1 3.93Å; L672-F954 WeakPolarHBondContact O-CZ 3.42Å; L676-F954 HydrophobicContact CD1-CE2 3.93Å; L676-F954 HydrophobicContact CD1-CZ 3.81Å; E950-F954 WeakPolarHBondContact O-CB 3.46Å; E950-F954 PolarHBondContact O-N 3.48Å; F954-H956 PolarHBondContact O-N 2.94Å; F954-T957 PolarHBondContact O-N 2.97Å; F954-T957 VanDerWaalsContact O-N 3.11Å; F954-V958 HydrophobicContact CD1-CG2 4.07Å; F954-V958 HydrophobicContact CE1-CG2 3.75Å; F954-V958 HydrophobicContact CZ-CG2 4.12Å; F954-V958 WeakPolarHBondContact O-CG2 3.45Å; F954-V958 PolarHBondContact O-N 3.02Å; F954-M987 HydrophobicContact CD2-CE 4.05Å; F954-M987 HydrophobicContact CD2-SD 4.35Å; F954-M987 HydrophobicContact CE2-CE 3.92Å; F954-L990 HydrophobicContact CB-CD2 3.9Å; F954-L990 HydrophobicContact CD2-CD2 3.86Å; F954-L990 HydrophobicContact CG-CD2 4.39Å; F954-V1003 HydrophobicContact CD2-CG2 4.3Å; F954-V1003 HydrophobicContact CE2-CG2 4.38Å |
| 955 | S | 81.6 | Confident | 79.6 | Confident | 51 Ų | 51 | 28.4 Ų | 28.4 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | R951 L953 T957 V958 Q959 | R951-S955 WeakPolarHBondContact O-CB 3.45Å; R951-S955 PolarHBondContact O-N 3.16Å; L953-S955 PolarHBondContact O-N 2.68Å; S955-T957 VanDerWaalsContact C-N 3.31Å; S955-T957 PolarHBondContact O-N 3.13Å; S955-V958 PolarHBondContact O-N 3.3Å; S955-Q959 WeakPolarHBondContact O-CG 3.36Å; S955-Q959 PolarHBondContact O-N 2.99Å; S955-Q959 VanDerWaalsContact O-N 3.09Å |
| 956 | H | 85.6 | Confident | 80.6 | Confident | 38 Ų | 38 | 25.7 Ų | 25.7 | 18% | 0.176 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 175 | -178.2 | -89.5 | 0 | 0 | 0 | 112.1 | V829 L952 L953 F954 Q959 M960 | V829-H956 HydrophobicContact CG1-CB 3.94Å; V829-H956 HydrophobicContact CG2-CB 4.5Å; V829-H956 WeakPolarHBondContact CG2-ND1 3.42Å; L952-H956 WeakPolarHBondContact O-CB 2.99Å; L952-H956 PolarHBondContact O-N 3.05Å; L953-H956 PolarHBondContact O-N 2.6Å; F954-H956 PolarHBondContact O-N 2.94Å; H956-Q959 PolarHBondContact O-N 2.89Å; H956-M960 WeakPolarHBondContact O-CB 3.25Å; H956-M960 PolarHBondContact O-N 3.05Å |
| 957 | T | 87.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 179.8 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | L953 F954 S955 M960 V961 A983 L986 M987 | L953-T957 WeakPolarHBondContact O-CB 3.16Å; L953-T957 PolarHBondContact O-N 3.12Å; L953-T957 PolarHBondContact O-OG1 3.3Å; F954-T957 PolarHBondContact O-N 2.97Å; F954-T957 VanDerWaalsContact O-N 3.11Å; S955-T957 VanDerWaalsContact C-N 3.31Å; S955-T957 PolarHBondContact O-N 3.13Å; T957-M960 PolarHBondContact O-N 3.18Å; T957-V961 WeakPolarHBondContact O-CB 3.43Å; T957-V961 WeakPolarHBondContact O-CG2 3.38Å; T957-V961 PolarHBondContact O-N 2.95Å; T957-A983 HydrophobicContact CG2-CB 3.76Å; T957-A983 WeakPolarHBondContact CG2-O 3.27Å; T957-L986 HydrophobicContact CG2-CB 4.16Å; T957-L986 VanDerWaalsContact OG1-CB 3.31Å; T957-L986 WeakPolarHBondContact OG1-CB 3.26Å; T957-L986 WeakPolarHBondContact OG1-CD1 3.27Å; T957-M987 HydrophobicContact CG2-CE 3.71Å; T957-M987 HydrophobicContact CG2-CG 3.92Å; T957-M987 HydrophobicContact CG2-SD 4.17Å |
| 958 | V | 80.2 | Confident | 81.6 | Confident | 15 Ų | 15 | 25.3 Ų | 25.3 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -47.9 | 169.4 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L676 F954 S955 M960 V961 Q962 | L676-V958 HydrophobicContact CD1-CG2 3.61Å; L676-V958 HydrophobicContact CG-CG2 4Å; F954-V958 HydrophobicContact CD1-CG2 4.07Å; F954-V958 HydrophobicContact CE1-CG2 3.75Å; F954-V958 HydrophobicContact CZ-CG2 4.12Å; F954-V958 WeakPolarHBondContact O-CG2 3.45Å; F954-V958 PolarHBondContact O-N 3.02Å; S955-V958 PolarHBondContact O-N 3.3Å; V958-M960 PolarHBondContact O-N 2.9Å; V958-V961 PolarHBondContact O-N 3.15Å; V958-Q962 WeakPolarHBondContact O-CG 3.34Å; V958-Q962 PolarHBondContact O-N 2.95Å |
| 959 | Q | 79.8 | Confident | 80.9 | Confident | 95 Ų | 95 | 26.4 Ų | 26.4 | 44% | 0.444 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.5 | -69.8 | 171.4 | -10.1 | 0 | 0 | 112.1 | S955 H956 Q962 A963 | S955-Q959 WeakPolarHBondContact O-CG 3.36Å; S955-Q959 PolarHBondContact O-N 2.99Å; S955-Q959 VanDerWaalsContact O-N 3.09Å; H956-Q959 PolarHBondContact O-N 2.89Å; Q959-Q962 PolarHBondContact O-N 3.28Å; Q959-A963 WeakPolarHBondContact O-CB 3.48Å; Q959-A963 PolarHBondContact O-N 2.8Å |
| 960 | M | 84.8 | Confident | 79.9 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 177.3 | -177.2 | 159 | 49.1 | 0 | 0 | 112.7 | H956 T957 V958 A963 A964 R979 K982 A983 L986 | H956-M960 WeakPolarHBondContact O-CB 3.25Å; H956-M960 PolarHBondContact O-N 3.05Å; T957-M960 PolarHBondContact O-N 3.18Å; V958-M960 PolarHBondContact O-N 2.9Å; M960-A963 PolarHBondContact O-N 2.98Å; M960-A964 WeakPolarHBondContact O-CB 3.25Å; M960-A964 PolarHBondContact O-N 2.81Å; M960-R979 HydrophobicContact CG-CB 4.03Å; M960-R979 HydrophobicContact CG-CG 4.48Å; M960-K982 HydrophobicContact CE-CB 3.85Å; M960-K982 HydrophobicContact SD-CB 3.61Å; M960-K982 HydrophobicContact SD-CD 4.4Å; M960-A983 HydrophobicContact CE-CB 4.08Å; M960-A983 HydrophobicContact CG-CB 4.38Å; M960-L986 HydrophobicContact CE-CD1 3.58Å; M960-L986 HydrophobicContact CE-CG 4.25Å |
| 961 | V | 85.2 | Confident | 79 | Confident | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 171.9 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | L676 T957 V958 A964 A965 Y980 A983 I1010 | L676-V961 HydrophobicContact CD2-CG1 4.19Å; T957-V961 WeakPolarHBondContact O-CB 3.43Å; T957-V961 WeakPolarHBondContact O-CG2 3.38Å; T957-V961 PolarHBondContact O-N 2.95Å; V958-V961 PolarHBondContact O-N 3.15Å; V961-A964 PolarHBondContact O-N 2.89Å; V961-A965 WeakPolarHBondContact O-CB 3.13Å; V961-A965 PolarHBondContact O-N 3.4Å; V961-Y980 HydrophobicContact CG1-CE1 4.3Å; V961-A983 HydrophobicContact CG2-CB 3.66Å; V961-I1010 HydrophobicContact CG2-CD1 3.95Å; V961-I1010 HydrophobicContact CG2-CG1 4.13Å |
| 962 | Q | 76.5 | Confident | 78 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 172.9 | -73.2 | 178.4 | 0.2 | 0 | 0 | 111.6 | V958 Q959 A964 A965 L966 | V958-Q962 WeakPolarHBondContact O-CG 3.34Å; V958-Q962 PolarHBondContact O-N 2.95Å; Q959-Q962 PolarHBondContact O-N 3.28Å; Q962-A964 VanDerWaalsContact C-N 3.34Å; Q962-A964 PolarHBondContact O-N 2.79Å; Q962-A965 PolarHBondContact O-N 2.72Å; Q962-L966 PolarHBondContact O-N 2.81Å |
| 963 | A | 78.3 | Confident | 77.1 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q959 M960 D967 R979 | Q959-A963 WeakPolarHBondContact O-CB 3.48Å; Q959-A963 PolarHBondContact O-N 2.8Å; M960-A963 PolarHBondContact O-N 2.98Å; A963-D967 PolarHBondContact O-N 2.81Å; A963-R979 PolarHBondContact O-NH1 3.08Å |
| 964 | A | 82.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.3 | -38.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M960 V961 Q962 L966 D967 E968 S976 R979 Y980 | M960-A964 WeakPolarHBondContact O-CB 3.25Å; M960-A964 PolarHBondContact O-N 2.81Å; V961-A964 PolarHBondContact O-N 2.89Å; Q962-A964 VanDerWaalsContact C-N 3.34Å; Q962-A964 PolarHBondContact O-N 2.79Å; A964-L966 VanDerWaalsContact C-N 3.34Å; A964-D967 PolarHBondContact O-N 3.18Å; A964-E968 WeakPolarHBondContact O-CB 3.37Å; A964-E968 PolarHBondContact O-N 3.13Å; A964-S976 WeakPolarHBondContact O-CB 3.41Å; A964-R979 HydrophobicContact CB-CB 3.79Å; A964-Y980 HydrophobicContact CB-CD1 3.89Å; A964-Y980 HydrophobicContact CB-CD2 3.81Å; A964-Y980 HydrophobicContact CB-CE1 3.75Å; A964-Y980 HydrophobicContact CB-CE2 3.67Å; A964-Y980 HydrophobicContact CB-CG 3.91Å |
| 965 | A | 76.7 | Confident | 76.3 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -33.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V961 Q962 M969 Y980 | V961-A965 WeakPolarHBondContact O-CB 3.13Å; V961-A965 PolarHBondContact O-N 3.4Å; Q962-A965 PolarHBondContact O-N 2.72Å; A965-M969 WeakPolarHBondContact O-CB 3.26Å; A965-M969 PolarHBondContact O-N 3.2Å; A965-M969 VanDerWaalsContact O-N 3.15Å; A965-Y980 PolarHBondContact N-OH 3.4Å |
| 966 | L | 73.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -52.9 | 169.5 | -78.9 | 166.9 | 0 | 0 | 0 | 111.1 | L174 I186 Q962 A964 E968 M969 F970 | L174-L966 HydrophobicContact CD1-CD2 4.31Å; L174-L966 HydrophobicContact CD2-CD2 3.77Å; L174-L966 HydrophobicContact CD2-CG 3.94Å; I186-L966 HydrophobicContact CG1-CD2 4.48Å; Q962-L966 PolarHBondContact O-N 2.81Å; A964-L966 VanDerWaalsContact C-N 3.34Å; L966-E968 VanDerWaalsContact C-N 3.26Å; L966-E968 PolarHBondContact O-N 2.8Å; L966-M969 HydrophobicContact CD2-CE 4.14Å; L966-M969 PolarHBondContact O-N 2.83Å; L966-F970 HydrophobicContact CD2-CE2 3.96Å; L966-F970 WeakPolarHBondContact O-CD2 3.4Å; L966-F970 PolarHBondContact O-N 2.88Å |
| 967 | D | 77.2 | Confident | 76.3 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -51.4 | -46.2 | 176.6 | -77.6 | 6 | 0 | 0 | 0 | 112 | A963 A964 F970 H971 Q972 A975 S976 R979 | A963-D967 PolarHBondContact O-N 2.81Å; A964-D967 PolarHBondContact O-N 3.18Å; D967-F970 CarbonylContact O-C 3.53Å; D967-F970 PolarHBondContact O-N 2.87Å; D967-H971 PolarHBondContact O-N 3.13Å; D967-Q972 HydrophobicContact CB-CB 3.99Å; D967-Q972 PolarHBondContact O-N 3.25Å; D967-A975 VanDerWaalsContact OD2-CB 3.27Å; D967-A975 WeakPolarHBondContact OD2-CB 3.41Å; D967-S976 PolarHBondContact OD2-N 3.16Å; D967-R979 IonicContact OD1-CZ 2.72Å; D967-R979 IonicContact OD1-NH1 2.78Å; D967-R979 PolarHBondContact OD1-NH1 3.46Å; D967-R979 IonicContact OD1-NH2 2.81Å; D967-R979 PolarHBondContact OD1-NH2 2.91Å; D967-R979 IonicContact OD2-CZ 2.73Å; D967-R979 IonicContact OD2-NE 3.2Å; D967-R979 PolarHBondContact OD2-NE 2.88Å; D967-R979 IonicContact OD2-NH1 3.56Å; D967-R979 PolarHBondContact OD2-NH1 3.06Å; D967-R979 IonicContact OD2-NH2 2.8Å; D967-R979 PolarHBondContact OD2-NH2 3.1Å |
| 968 | E | 76.6 | Confident | 76.4 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 16% | 0.164 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | -178.8 | -164.9 | -157.9 | 154.1 | 0 | 0 | 112.1 | A964 L966 F970 H971 R1013 L1017 | A964-E968 WeakPolarHBondContact O-CB 3.37Å; A964-E968 PolarHBondContact O-N 3.13Å; L966-E968 VanDerWaalsContact C-N 3.26Å; L966-E968 PolarHBondContact O-N 2.8Å; E968-F970 PolarHBondContact O-N 2.88Å; E968-H971 PolarHBondContact O-N 3.12Å; E968-H971 VanDerWaalsContact O-N 3.11Å; E968-R1013 IonicContact OE1-CZ 3.33Å; E968-R1013 IonicContact OE1-NE 3.43Å; E968-R1013 IonicContact OE1-NH1 3.84Å; E968-R1013 PolarHBondContact OE1-NH1 3.45Å; E968-R1013 IonicContact OE1-NH2 3.28Å; E968-R1013 PolarHBondContact OE1-NH2 3.48Å; E968-R1013 IonicContact OE2-CZ 2.75Å; E968-R1013 IonicContact OE2-NE 2.71Å; E968-R1013 PolarHBondContact OE2-NE 3.29Å; E968-R1013 IonicContact OE2-NH1 3.96Å; E968-R1013 IonicContact OE2-NH2 2.81Å; E968-R1013 PolarHBondContact OE2-NH2 3Å; E968-L1017 HydrophobicContact CG-CD2 3.86Å |
| 969 | M | 65.2 | Low | 76.7 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -16.8 | 178.2 | -174.3 | 167.4 | 39.3 | 0 | 0 | 112.7 | L174 M181 A965 L966 | L174-M969 HydrophobicContact CD1-CE 4.47Å; L174-M969 HydrophobicContact CD2-CE 4.09Å; L174-M969 HydrophobicContact CG-CE 3.91Å; M181-M969 HydrophobicContact CE-CE 4.13Å; A965-M969 WeakPolarHBondContact O-CB 3.26Å; A965-M969 PolarHBondContact O-N 3.2Å; A965-M969 VanDerWaalsContact O-N 3.15Å; L966-M969 HydrophobicContact CD2-CE 4.14Å; L966-M969 PolarHBondContact O-N 2.83Å |
| 970 | F | 62.8 | Low | 77.2 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 23% | 0.232 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 30 | 178 | -51.6 | -57.7 | 0 | 0 | 0 | 113.4 | P178 M181 P219 L966 D967 E968 Q972 | P178-F970 HydrophobicContact CG-CD1 4.11Å; P178-F970 HydrophobicContact CG-CD2 4.22Å; P178-F970 HydrophobicContact CG-CE1 3.38Å; P178-F970 HydrophobicContact CG-CE2 3.47Å; P178-F970 VanDerWaalsContact CG-CE2 3.47Å; P178-F970 HydrophobicContact CG-CZ 3.02Å; M181-F970 HydrophobicContact CE-CZ 4.32Å; P219-F970 HydrophobicContact CB-CD2 3.62Å; P219-F970 HydrophobicContact CB-CE2 3.75Å; P219-F970 HydrophobicContact CB-CG 4.38Å; P219-F970 HydrophobicContact CG-CB 4.26Å; P219-F970 HydrophobicContact CG-CD1 4.32Å; P219-F970 HydrophobicContact CG-CD2 3.43Å; P219-F970 VanDerWaalsContact CG-CD2 3.43Å; P219-F970 HydrophobicContact CG-CE2 3.92Å; P219-F970 HydrophobicContact CG-CG 3.69Å; L966-F970 HydrophobicContact CD2-CE2 3.96Å; L966-F970 WeakPolarHBondContact O-CD2 3.4Å; L966-F970 PolarHBondContact O-N 2.88Å; D967-F970 CarbonylContact O-C 3.53Å; D967-F970 PolarHBondContact O-N 2.87Å; E968-F970 PolarHBondContact O-N 2.88Å; F970-Q972 PolarHBondContact O-N 2.87Å; F970-Q972 VanDerWaalsContact O-N 3.14Å |
| 971 | H | 66.1 | Low | 77.5 | Confident | 154 Ų | 154 | 48.7 Ų | 48.7 | 71% | 0.713 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 17.3 | 170.1 | -50.8 | -72.4 | 0 | 0 | 0 | 115.9 | D967 E968 G973 | D967-H971 PolarHBondContact O-N 3.13Å; E968-H971 PolarHBondContact O-N 3.12Å; E968-H971 VanDerWaalsContact O-N 3.11Å; H971-G973 PolarHBondContact O-N 2.78Å |
| 972 | Q | 60.8 | Low | 77.7 | Confident | 86 Ų | 86 | 51.1 Ų | 51.1 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | trans | -82.8 | 57.3 | 172 | -62.2 | -166.6 | 1.2 | 0 | 0 | 111.1 | D967 F970 E974 A975 S976 | D967-Q972 HydrophobicContact CB-CB 3.99Å; D967-Q972 PolarHBondContact O-N 3.25Å; F970-Q972 PolarHBondContact O-N 2.87Å; F970-Q972 VanDerWaalsContact O-N 3.14Å; Q972-E974 PolarHBondContact O-N 2.76Å; Q972-A975 HydrophobicContact CB-CB 4.37Å; Q972-A975 PolarHBondContact O-N 3.02Å; Q972-S976 PolarHBondContact O-N 3.14Å; Q972-S976 VanDerWaalsContact O-N 3.08Å | ||
| 973 | G | 66.1 | Low | 78.4 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -51.8 | -52.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H971 A975 S976 I977 | H971-G973 PolarHBondContact O-N 2.78Å; G973-A975 PolarHBondContact O-N 3.22Å; G973-S976 PolarHBondContact O-N 2.86Å; G973-S976 PolarHBondContact O-OG 2.84Å; G973-I977 WeakPolarHBondContact O-CG1 3.36Å; G973-I977 PolarHBondContact O-N 3.39Å |
| 974 | E | 77.5 | Confident | 79.1 | Confident | 175 Ų | 175 | 51.1 Ų | 51.1 | 82% | 0.818 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.7 | -39.1 | -177.6 | -61.1 | -173.4 | 159.7 | 0 | 0 | 113.1 | Q972 I977 L978 | Q972-E974 PolarHBondContact O-N 2.76Å; E974-I977 PolarHBondContact O-N 2.97Å; E974-L978 PolarHBondContact O-N 3.46Å; E974-L978 VanDerWaalsContact O-N 3.07Å |
| 975 | A | 77.3 | Confident | 79.5 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D967 Q972 G973 I977 L978 R979 | D967-A975 VanDerWaalsContact OD2-CB 3.27Å; D967-A975 WeakPolarHBondContact OD2-CB 3.41Å; Q972-A975 HydrophobicContact CB-CB 4.37Å; Q972-A975 PolarHBondContact O-N 3.02Å; G973-A975 PolarHBondContact O-N 3.22Å; A975-I977 PolarHBondContact O-N 3.43Å; A975-L978 PolarHBondContact O-N 3.15Å; A975-R979 WeakPolarHBondContact O-CG 3.38Å; A975-R979 PolarHBondContact O-N 3.48Å |
| 976 | S | 82 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 174.6 | 78.9 | 0 | 0 | 0 | 0 | 111.6 | A964 D967 Q972 G973 L978 R979 Y980 | A964-S976 WeakPolarHBondContact O-CB 3.41Å; D967-S976 PolarHBondContact OD2-N 3.16Å; Q972-S976 PolarHBondContact O-N 3.14Å; Q972-S976 VanDerWaalsContact O-N 3.08Å; G973-S976 PolarHBondContact O-N 2.86Å; G973-S976 PolarHBondContact O-OG 2.84Å; S976-L978 PolarHBondContact O-N 2.95Å; S976-R979 PolarHBondContact O-N 3.14Å; S976-Y980 WeakPolarHBondContact O-CD2 3.24Å; S976-Y980 PolarHBondContact O-N 3.02Å |
| 977 | I | 86.6 | Confident | 81 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | -179.2 | -68.1 | 166.1 | 0 | 0 | 0 | 110.7 | G973 E974 A975 Y980 H981 L1014 L1017 | G973-I977 WeakPolarHBondContact O-CG1 3.36Å; G973-I977 PolarHBondContact O-N 3.39Å; E974-I977 PolarHBondContact O-N 2.97Å; A975-I977 PolarHBondContact O-N 3.43Å; I977-Y980 PolarHBondContact O-N 3.27Å; I977-H981 PolarHBondContact O-N 2.85Å; I977-H981 PolarHBondContact O-ND1 3.46Å; I977-L1014 HydrophobicContact CG2-CD2 4.2Å; I977-L1017 HydrophobicContact CD1-CB 4.22Å; I977-L1017 HydrophobicContact CG1-CB 4.03Å; I977-L1017 HydrophobicContact CG1-CD1 4Å |
| 978 | L | 87.9 | Confident | 81.7 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 57% | 0.571 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 177 | -179 | 61.8 | 0 | 0 | 0 | 111.8 | E974 A975 S976 H981 K982 | E974-L978 PolarHBondContact O-N 3.46Å; E974-L978 VanDerWaalsContact O-N 3.07Å; A975-L978 PolarHBondContact O-N 3.15Å; S976-L978 PolarHBondContact O-N 2.95Å; L978-H981 PolarHBondContact O-N 2.83Å; L978-K982 PolarHBondContact O-N 2.9Å |
| 979 | R | 86.8 | Confident | 82.3 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 177.1 | -69.7 | -178 | -161.5 | 159.1 | 20.2 | 112 | M960 A963 A964 D967 A975 S976 K982 A983 | M960-R979 HydrophobicContact CG-CB 4.03Å; M960-R979 HydrophobicContact CG-CG 4.48Å; A963-R979 PolarHBondContact O-NH1 3.08Å; A964-R979 HydrophobicContact CB-CB 3.79Å; D967-R979 IonicContact OD1-CZ 2.72Å; D967-R979 IonicContact OD1-NH1 2.78Å; D967-R979 PolarHBondContact OD1-NH1 3.46Å; D967-R979 IonicContact OD1-NH2 2.81Å; D967-R979 PolarHBondContact OD1-NH2 2.91Å; D967-R979 IonicContact OD2-CZ 2.73Å; D967-R979 IonicContact OD2-NE 3.2Å; D967-R979 PolarHBondContact OD2-NE 2.88Å; D967-R979 IonicContact OD2-NH1 3.56Å; D967-R979 PolarHBondContact OD2-NH1 3.06Å; D967-R979 IonicContact OD2-NH2 2.8Å; D967-R979 PolarHBondContact OD2-NH2 3.1Å; A975-R979 WeakPolarHBondContact O-CG 3.38Å; A975-R979 PolarHBondContact O-N 3.48Å; S976-R979 PolarHBondContact O-N 3.14Å; R979-K982 PolarHBondContact O-N 3.32Å; R979-A983 WeakPolarHBondContact O-CB 3.14Å; R979-A983 PolarHBondContact O-N 3.28Å |
| 980 | Y | 89.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 174.1 | -78.1 | -56.8 | 0 | 0 | 0 | 112.5 | V961 A964 A965 S976 I977 A983 L984 I1010 R1013 L1014 L1017 | V961-Y980 HydrophobicContact CG1-CE1 4.3Å; A964-Y980 HydrophobicContact CB-CD1 3.89Å; A964-Y980 HydrophobicContact CB-CD2 3.81Å; A964-Y980 HydrophobicContact CB-CE1 3.75Å; A964-Y980 HydrophobicContact CB-CE2 3.67Å; A964-Y980 HydrophobicContact CB-CG 3.91Å; A965-Y980 PolarHBondContact N-OH 3.4Å; S976-Y980 WeakPolarHBondContact O-CD2 3.24Å; S976-Y980 PolarHBondContact O-N 3.02Å; I977-Y980 PolarHBondContact O-N 3.27Å; Y980-A983 PolarHBondContact O-N 2.99Å; Y980-L984 WeakPolarHBondContact O-CB 3.32Å; Y980-L984 PolarHBondContact O-N 3.17Å; Y980-I1010 HydrophobicContact CD1-CG2 4.2Å; Y980-I1010 WeakPolarHBondContact O-CG2 3.24Å; Y980-R1013 HydrophobicContact CE1-CG 4.28Å; Y980-R1013 HydrophobicContact CE2-CG 3.99Å; Y980-L1014 VanDerWaalsContact CB-CD2 3.43Å; Y980-L1014 HydrophobicContact CG-CD2 4.38Å; Y980-L1017 HydrophobicContact CD2-CD1 3.73Å; Y980-L1017 HydrophobicContact CE2-CD1 3.77Å |
| 981 | H | 90.7 | Very high | 84.7 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.3 | -77.2 | 87 | 0 | 0 | 0 | 112.3 | I977 L978 A983 L984 L985 L1014 | I977-H981 PolarHBondContact O-N 2.85Å; I977-H981 PolarHBondContact O-ND1 3.46Å; L978-H981 PolarHBondContact O-N 2.83Å; H981-A983 VanDerWaalsContact C-N 3.32Å; H981-A983 PolarHBondContact O-N 3.46Å; H981-L984 WeakPolarHBondContact O-CB 3.39Å; H981-L984 PolarHBondContact O-N 3.36Å; H981-L985 PolarHBondContact O-N 2.9Å; H981-L1014 VanDerWaalsContact CE1-CD2 3.5Å; H981-L1014 WeakPolarHBondContact CE1-CD2 3.38Å; H981-L1014 WeakPolarHBondContact ND1-CD2 2.89Å |
| 982 | K | 90.9 | Very high | 85.6 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 26% | 0.261 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.3 | -71 | -164.8 | -178 | -161.9 | 0 | 111.9 | E828 M960 L978 R979 L984 L985 L986 | E828-K982 IonicContact OE1-NZ 2.76Å; E828-K982 PolarHBondContact OE1-NZ 3.36Å; E828-K982 IonicContact OE2-NZ 3.86Å; E828-K982 PolarHBondContact OE2-NZ 2.88Å; M960-K982 HydrophobicContact CE-CB 3.85Å; M960-K982 HydrophobicContact SD-CB 3.61Å; M960-K982 HydrophobicContact SD-CD 4.4Å; L978-K982 PolarHBondContact O-N 2.9Å; R979-K982 PolarHBondContact O-N 3.32Å; K982-L984 VanDerWaalsContact C-N 3.34Å; K982-L984 PolarHBondContact O-N 3.34Å; K982-L985 PolarHBondContact O-N 3.12Å; K982-L986 WeakPolarHBondContact O-CG 3.26Å; K982-L986 PolarHBondContact O-N 2.97Å |
| 983 | A | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T957 M960 V961 R979 Y980 H981 L986 M987 I1010 | T957-A983 HydrophobicContact CG2-CB 3.76Å; T957-A983 WeakPolarHBondContact CG2-O 3.27Å; M960-A983 HydrophobicContact CE-CB 4.08Å; M960-A983 HydrophobicContact CG-CB 4.38Å; V961-A983 HydrophobicContact CG2-CB 3.66Å; R979-A983 WeakPolarHBondContact O-CB 3.14Å; R979-A983 PolarHBondContact O-N 3.28Å; Y980-A983 PolarHBondContact O-N 2.99Å; H981-A983 VanDerWaalsContact C-N 3.32Å; H981-A983 PolarHBondContact O-N 3.46Å; A983-L986 PolarHBondContact O-N 2.9Å; A983-M987 WeakPolarHBondContact O-CG 3.37Å; A983-M987 PolarHBondContact O-N 2.98Å; A983-I1010 HydrophobicContact CB-CD1 4.25Å |
| 984 | L | 92.6 | Very high | 87.7 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 174 | -172.4 | 66 | 0 | 0 | 0 | 111.5 | Y980 H981 K982 L986 M987 E988 K1007 I1010 E1011 L1014 | Y980-L984 WeakPolarHBondContact O-CB 3.32Å; Y980-L984 PolarHBondContact O-N 3.17Å; H981-L984 WeakPolarHBondContact O-CB 3.39Å; H981-L984 PolarHBondContact O-N 3.36Å; K982-L984 VanDerWaalsContact C-N 3.34Å; K982-L984 PolarHBondContact O-N 3.34Å; L984-L986 VanDerWaalsContact C-N 3.32Å; L984-L986 PolarHBondContact O-N 3.41Å; L984-M987 PolarHBondContact O-N 3.48Å; L984-E988 WeakPolarHBondContact O-CB 3.46Å; L984-E988 PolarHBondContact O-N 3.44Å; L984-K1007 HydrophobicContact CD1-CB 4.5Å; L984-K1007 HydrophobicContact CD1-CD 4.34Å; L984-K1007 HydrophobicContact CD1-CG 3.41Å; L984-K1007 VanDerWaalsContact CD1-CG 3.41Å; L984-I1010 HydrophobicContact CB-CG2 4.01Å; L984-I1010 HydrophobicContact CD1-CB 4.32Å; L984-I1010 HydrophobicContact CD1-CG2 4.19Å; L984-E1011 HydrophobicContact CD1-CG 3.48Å; L984-E1011 VanDerWaalsContact CD1-CG 3.48Å; L984-E1011 HydrophobicContact CD2-CG 4.01Å; L984-E1011 HydrophobicContact CG-CG 4.41Å; L984-L1014 HydrophobicContact CD2-CD1 4.06Å |
| 985 | L | 92.2 | Very high | 87.9 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -41.6 | 176.2 | 177.6 | 64.5 | 0 | 0 | 0 | 112.1 | F818 E821 F822 C825 H981 K982 G989 | F818-L985 HydrophobicContact CD2-CD1 4.18Å; F818-L985 HydrophobicContact CE2-CD1 3.73Å; F818-L985 HydrophobicContact CZ-CD1 4.22Å; E821-L985 HydrophobicContact CB-CD1 4.44Å; E821-L985 HydrophobicContact CB-CD2 4.02Å; F822-L985 HydrophobicContact CB-CD1 4.26Å; C825-L985 HydrophobicContact CB-CD2 4.32Å; H981-L985 PolarHBondContact O-N 2.9Å; K982-L985 PolarHBondContact O-N 3.12Å; L985-G989 PolarHBondContact O-N 2.78Å |
| 986 | L | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.8 | -38.9 | 175.7 | -68.7 | -169.9 | 0 | 0 | 0 | 112.9 | F822 C825 V829 L953 T957 M960 K982 A983 L984 L990 | F822-L986 HydrophobicContact CD2-CD2 3.99Å; F822-L986 HydrophobicContact CE2-CD2 3.86Å; C825-L986 HydrophobicContact CB-CD2 3.87Å; V829-L986 HydrophobicContact CG2-CD1 4.12Å; L953-L986 HydrophobicContact CD2-CD1 4.47Å; L953-L986 HydrophobicContact CD2-CD2 3.98Å; T957-L986 HydrophobicContact CG2-CB 4.16Å; T957-L986 VanDerWaalsContact OG1-CB 3.31Å; T957-L986 WeakPolarHBondContact OG1-CB 3.26Å; T957-L986 WeakPolarHBondContact OG1-CD1 3.27Å; M960-L986 HydrophobicContact CE-CD1 3.58Å; M960-L986 HydrophobicContact CE-CG 4.25Å; K982-L986 WeakPolarHBondContact O-CG 3.26Å; K982-L986 PolarHBondContact O-N 2.97Å; A983-L986 PolarHBondContact O-N 2.9Å; L984-L986 VanDerWaalsContact C-N 3.32Å; L984-L986 PolarHBondContact O-N 3.41Å; L986-L990 WeakPolarHBondContact O-CB 3.43Å; L986-L990 PolarHBondContact O-N 2.82Å |
| 987 | M | 90.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 174.3 | -75.4 | -56.7 | -176.5 | 0 | 0 | 112.2 | L676 F954 T957 A983 L984 L990 S991 V1003 C1006 K1007 I1010 | L676-M987 HydrophobicContact CD1-CE 3.35Å; F954-M987 HydrophobicContact CD2-CE 4.05Å; F954-M987 HydrophobicContact CD2-SD 4.35Å; F954-M987 HydrophobicContact CE2-CE 3.92Å; T957-M987 HydrophobicContact CG2-CE 3.71Å; T957-M987 HydrophobicContact CG2-CG 3.92Å; T957-M987 HydrophobicContact CG2-SD 4.17Å; A983-M987 WeakPolarHBondContact O-CG 3.37Å; A983-M987 PolarHBondContact O-N 2.98Å; L984-M987 PolarHBondContact O-N 3.48Å; M987-L990 PolarHBondContact O-N 2.74Å; M987-L990 HydrophobicContact SD-CD2 4.27Å; M987-S991 PolarHBondContact O-N 3.25Å; M987-V1003 HydrophobicContact CB-CG1 4.19Å; M987-V1003 VanDerWaalsContact O-CG1 3.27Å; M987-V1003 WeakPolarHBondContact O-CG1 3.36Å; M987-V1003 HydrophobicContact SD-CG1 3.91Å; M987-V1003 HydrophobicContact SD-CG2 4.42Å; M987-C1006 HydrophobicContact CE-CB 3.93Å; M987-C1006 HydrophobicContact SD-CB 4.35Å; M987-K1007 HydrophobicContact CB-CB 4.38Å; M987-I1010 HydrophobicContact CG-CD1 3.87Å |
| 988 | E | 91.2 | Very high | 87.8 | Confident | 69 Ų | 69 | 53 Ų | 53 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 177.6 | -170.2 | 156.1 | -117.6 | 0 | 0 | 111.3 | F818 L984 L990 S991 L992 K1007 | F818-E988 HydrophobicContact CE2-CB 4.17Å; F818-E988 HydrophobicContact CE2-CG 3.78Å; F818-E988 HydrophobicContact CZ-CB 4.15Å; F818-E988 HydrophobicContact CZ-CG 3.86Å; L984-E988 WeakPolarHBondContact O-CB 3.46Å; L984-E988 PolarHBondContact O-N 3.44Å; E988-L990 VanDerWaalsContact C-N 3.35Å; E988-L990 PolarHBondContact O-N 2.93Å; E988-S991 PolarHBondContact O-N 2.8Å; E988-S991 PolarHBondContact O-OG 3.32Å; E988-L992 PolarHBondContact O-N 2.93Å; E988-K1007 WeakPolarHBondContact OE1-CE 3.46Å; E988-K1007 IonicContact OE1-NZ 2.77Å; E988-K1007 PolarHBondContact OE1-NZ 2.58Å |
| 989 | G | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L985 S991 L992 L993 | L985-G989 PolarHBondContact O-N 2.78Å; G989-S991 VanDerWaalsContact C-N 3.33Å; G989-S991 PolarHBondContact O-N 2.92Å; G989-L992 WeakPolarHBondContact O-CB 3.42Å; G989-L992 PolarHBondContact O-N 3.08Å; G989-L992 VanDerWaalsContact O-N 3.17Å; G989-L993 PolarHBondContact O-N 3.01Å |
| 990 | L | 89.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 173.5 | 179.8 | 63 | 0 | 0 | 0 | 112.2 | E950 L953 F954 L986 M987 E988 L992 L993 L994 V1003 | E950-L990 HydrophobicContact CB-CD1 3.74Å; E950-L990 HydrophobicContact CG-CD1 4.2Å; L953-L990 HydrophobicContact CB-CD1 4.37Å; L953-L990 HydrophobicContact CD1-CD1 4.48Å; F954-L990 HydrophobicContact CB-CD2 3.9Å; F954-L990 HydrophobicContact CD2-CD2 3.86Å; F954-L990 HydrophobicContact CG-CD2 4.39Å; L986-L990 WeakPolarHBondContact O-CB 3.43Å; L986-L990 PolarHBondContact O-N 2.82Å; M987-L990 PolarHBondContact O-N 2.74Å; M987-L990 HydrophobicContact SD-CD2 4.27Å; E988-L990 VanDerWaalsContact C-N 3.35Å; E988-L990 PolarHBondContact O-N 2.93Å; L990-L992 PolarHBondContact O-N 3.45Å; L990-L993 PolarHBondContact O-N 3.46Å; L990-L994 HydrophobicContact CD1-CD1 4.42Å; L990-L994 HydrophobicContact CD1-CG 4.24Å; L990-L994 HydrophobicContact CG-CD1 4.02Å; L990-L994 HydrophobicContact CG-CG 4.33Å; L990-L994 WeakPolarHBondContact O-CG 3.12Å; L990-L994 PolarHBondContact O-N 3.42Å; L990-V1003 HydrophobicContact CD2-CG1 4.47Å; L990-V1003 HydrophobicContact CD2-CG2 3.77Å; L990-V1003 HydrophobicContact CG-CG2 4.25Å |
| 991 | S | 88.4 | Confident | 87 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -20.3 | 176.6 | 78.3 | 0 | 0 | 0 | 0 | 113.8 | M987 E988 G989 | M987-S991 PolarHBondContact O-N 3.25Å; E988-S991 PolarHBondContact O-N 2.8Å; E988-S991 PolarHBondContact O-OG 3.32Å; G989-S991 VanDerWaalsContact C-N 3.33Å; G989-S991 PolarHBondContact O-N 2.92Å |
| 992 | L | 84.1 | Confident | 86.5 | Confident | 110 Ų | 110 | 48.3 Ų | 48.3 | 58% | 0.576 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.9 | 173.4 | -59.4 | 173.6 | 0 | 0 | 0 | 113.6 | F818 E988 G989 L990 | F818-L992 HydrophobicContact CD1-CD1 4.35Å; F818-L992 HydrophobicContact CE1-CD1 3.66Å; F818-L992 HydrophobicContact CZ-CD1 4.25Å; E988-L992 PolarHBondContact O-N 2.93Å; G989-L992 WeakPolarHBondContact O-CB 3.42Å; G989-L992 PolarHBondContact O-N 3.08Å; G989-L992 VanDerWaalsContact O-N 3.17Å; L990-L992 PolarHBondContact O-N 3.45Å |
| 993 | L | 85.5 | Confident | 86.3 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -26.5 | 177.8 | -63.5 | -174 | 0 | 0 | 0 | 113.2 | F822 K878 L882 E950 L953 G989 L990 | F822-L993 HydrophobicContact CE1-CD1 4.46Å; F822-L993 HydrophobicContact CZ-CD1 4.25Å; K878-L993 VanDerWaalsContact CE-CD2 3.41Å; K878-L993 HydrophobicContact CG-CD1 4.26Å; L882-L993 HydrophobicContact CD1-CD2 4.38Å; L882-L993 HydrophobicContact CD2-CD2 3.86Å; L882-L993 HydrophobicContact CG-CD2 4.42Å; E950-L993 HydrophobicContact CG-CB 4.13Å; L953-L993 HydrophobicContact CD1-CD1 3.83Å; G989-L993 PolarHBondContact O-N 3.01Å; L990-L993 PolarHBondContact O-N 3.46Å |
| 994 | L | 86.7 | Confident | 86 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | trans | -75.8 | 137.9 | -178.3 | -69.1 | 167.4 | 0 | 0 | 0 | 111.7 | E950 L990 D999 I1000 V1003 | E950-L994 HydrophobicContact CB-CD2 4.32Å; E950-L994 HydrophobicContact CG-CD2 4.39Å; L990-L994 HydrophobicContact CD1-CD1 4.42Å; L990-L994 HydrophobicContact CD1-CG 4.24Å; L990-L994 HydrophobicContact CG-CD1 4.02Å; L990-L994 HydrophobicContact CG-CG 4.33Å; L990-L994 WeakPolarHBondContact O-CG 3.12Å; L990-L994 PolarHBondContact O-N 3.42Å; L994-D999 HydrophobicContact CD1-CB 3.94Å; L994-D999 HydrophobicContact CD2-CB 3.96Å; L994-D999 HydrophobicContact CG-CB 4.39Å; L994-I1000 HydrophobicContact CB-CG1 3.76Å; L994-V1003 HydrophobicContact CD1-CB 4.2Å; L994-V1003 HydrophobicContact CD1-CG2 3.63Å | ||
| 995 | T | 82.4 | Confident | 85.6 | Confident | 99 Ų | 99 | 53 Ų | 53 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | trans | -103.3 | -24.5 | 174.6 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 996 | E | 84.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | trans | -85.5 | 129 | -175.9 | -60.5 | -53.6 | 136.2 | 0 | 0 | 111.6 | D998 D999 I1000 | E996-D998 VanDerWaalsContact C-N 3.34Å; E996-D998 PolarHBondContact O-N 3.35Å; E996-D999 HydrophobicContact CB-CB 4.4Å; E996-D999 PolarHBondContact O-N 3.33Å; E996-I1000 WeakPolarHBondContact O-CG1 3.47Å; E996-I1000 PolarHBondContact O-N 3.08Å; E996-I1000 VanDerWaalsContact O-N 3.07Å | ||
| 997 | Q | 81.3 | Confident | 85.2 | Confident | 119 Ų | 119 | 53.9 Ų | 53.9 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.3 | -34.5 | -170.3 | -173.6 | 57.8 | 88.5 | 0 | 0 | 113.2 | I1000 L1001 | Q997-I1000 PolarHBondContact O-N 2.83Å; Q997-L1001 HydrophobicContact CG-CD1 4.31Å; Q997-L1001 WeakPolarHBondContact O-CB 3.25Å; Q997-L1001 VanDerWaalsContact O-CG 3.27Å; Q997-L1001 WeakPolarHBondContact O-CG 3.33Å; Q997-L1001 PolarHBondContact O-N 3.47Å |
| 998 | D | 76.6 | Confident | 85 | Confident | 124 Ų | 124 | 57.9 Ų | 57.9 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.3 | -32.9 | 178.2 | -72.1 | -43.5 | 0 | 0 | 0 | 112.9 | E996 S1002 | E996-D998 VanDerWaalsContact C-N 3.34Å; E996-D998 PolarHBondContact O-N 3.35Å; D998-S1002 VanDerWaalsContact O-CB 3.31Å; D998-S1002 WeakPolarHBondContact O-CB 3.41Å; D998-S1002 PolarHBondContact O-N 2.81Å; D998-S1002 PolarHBondContact O-OG 2.96Å |
| 999 | D | 81.1 | Confident | 84.6 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 173.9 | -73.9 | -27.3 | 0 | 0 | 0 | 110.8 | A669 L994 E996 L1001 S1002 V1003 | A669-D999 VanDerWaalsContact CB-CG 3.49Å; A669-D999 WeakPolarHBondContact CB-OD1 3.49Å; A669-D999 WeakPolarHBondContact CB-OD2 3.42Å; L994-D999 HydrophobicContact CD1-CB 3.94Å; L994-D999 HydrophobicContact CD2-CB 3.96Å; L994-D999 HydrophobicContact CG-CB 4.39Å; E996-D999 HydrophobicContact CB-CB 4.4Å; E996-D999 PolarHBondContact O-N 3.33Å; D999-L1001 VanDerWaalsContact C-N 3.33Å; D999-L1001 PolarHBondContact O-N 3.44Å; D999-S1002 PolarHBondContact O-N 2.92Å; D999-S1002 VanDerWaalsContact O-N 3.16Å; D999-V1003 WeakPolarHBondContact O-CB 3.39Å; D999-V1003 PolarHBondContact O-N 3.3Å |
| 1000 | I | 83.6 | Confident | 84.6 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 173.1 | -65.3 | 165.5 | 0 | 0 | 0 | 110.5 | L994 E996 Q997 S1002 V1003 S1004 | L994-I1000 HydrophobicContact CB-CG1 3.76Å; E996-I1000 WeakPolarHBondContact O-CG1 3.47Å; E996-I1000 PolarHBondContact O-N 3.08Å; E996-I1000 VanDerWaalsContact O-N 3.07Å; Q997-I1000 PolarHBondContact O-N 2.83Å; I1000-S1002 VanDerWaalsContact C-N 3.32Å; I1000-S1002 PolarHBondContact O-N 3.36Å; I1000-V1003 PolarHBondContact O-N 3.35Å; I1000-S1004 WeakPolarHBondContact O-CB 3.43Å; I1000-S1004 PolarHBondContact O-N 2.76Å |
| 1001 | L | 82.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 176.2 | -73.1 | 170.1 | 0 | 0 | 0 | 112.4 | Q997 D999 K1005 | Q997-L1001 HydrophobicContact CG-CD1 4.31Å; Q997-L1001 WeakPolarHBondContact O-CB 3.25Å; Q997-L1001 VanDerWaalsContact O-CG 3.27Å; Q997-L1001 WeakPolarHBondContact O-CG 3.33Å; Q997-L1001 PolarHBondContact O-N 3.47Å; D999-L1001 VanDerWaalsContact C-N 3.33Å; D999-L1001 PolarHBondContact O-N 3.44Å; L1001-K1005 WeakPolarHBondContact O-CD 3.48Å; L1001-K1005 VanDerWaalsContact O-CG 3.28Å; L1001-K1005 WeakPolarHBondContact O-CG 3.48Å; L1001-K1005 PolarHBondContact O-N 3.37Å; L1001-K1005 VanDerWaalsContact O-N 3.14Å |
| 1002 | S | 80.2 | Confident | 84.5 | Confident | 18 Ų | 18 | 63 Ų | 63 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.8 | -45.2 | 177.2 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | D998 D999 I1000 K1005 C1006 | D998-S1002 VanDerWaalsContact O-CB 3.31Å; D998-S1002 WeakPolarHBondContact O-CB 3.41Å; D998-S1002 PolarHBondContact O-N 2.81Å; D998-S1002 PolarHBondContact O-OG 2.96Å; D999-S1002 PolarHBondContact O-N 2.92Å; D999-S1002 VanDerWaalsContact O-N 3.16Å; I1000-S1002 VanDerWaalsContact C-N 3.32Å; I1000-S1002 PolarHBondContact O-N 3.36Å; S1002-K1005 PolarHBondContact O-N 2.71Å; S1002-C1006 PolarHBondContact O-N 2.83Å; S1002-C1006 VanDerWaalsContact O-N 3.14Å; S1002-C1006 PolarHBondContact O-SG 3.37Å |
| 1003 | V | 87.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -39.2 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | F954 M987 L990 L994 D999 I1000 K1005 C1006 K1007 | F954-V1003 HydrophobicContact CD2-CG2 4.3Å; F954-V1003 HydrophobicContact CE2-CG2 4.38Å; M987-V1003 HydrophobicContact CB-CG1 4.19Å; M987-V1003 VanDerWaalsContact O-CG1 3.27Å; M987-V1003 WeakPolarHBondContact O-CG1 3.36Å; M987-V1003 HydrophobicContact SD-CG1 3.91Å; M987-V1003 HydrophobicContact SD-CG2 4.42Å; L990-V1003 HydrophobicContact CD2-CG1 4.47Å; L990-V1003 HydrophobicContact CD2-CG2 3.77Å; L990-V1003 HydrophobicContact CG-CG2 4.25Å; L994-V1003 HydrophobicContact CD1-CB 4.2Å; L994-V1003 HydrophobicContact CD1-CG2 3.63Å; D999-V1003 WeakPolarHBondContact O-CB 3.39Å; D999-V1003 PolarHBondContact O-N 3.3Å; I1000-V1003 PolarHBondContact O-N 3.35Å; V1003-K1005 PolarHBondContact O-N 3.09Å; V1003-C1006 CarbonylContact O-C 3.59Å; V1003-C1006 WeakPolarHBondContact O-CA 3.16Å; V1003-C1006 WeakPolarHBondContact O-CB 3.49Å; V1003-C1006 PolarHBondContact O-N 3.29Å; V1003-K1007 PolarHBondContact O-N 3.06Å |
| 1004 | S | 84.6 | Confident | 84.5 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 46% | 0.462 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | I1000 C1006 K1007 E1008 | I1000-S1004 WeakPolarHBondContact O-CB 3.43Å; I1000-S1004 PolarHBondContact O-N 2.76Å; S1004-C1006 VanDerWaalsContact C-N 3.26Å; S1004-C1006 PolarHBondContact O-N 3.33Å; S1004-K1007 WeakPolarHBondContact O-CB 3.45Å; S1004-K1007 PolarHBondContact O-N 3.34Å; S1004-E1008 PolarHBondContact O-N 2.81Å |
| 1005 | K | 84.9 | Confident | 84.5 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 52% | 0.522 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -35.6 | 172.8 | -71.4 | 164.2 | -175.5 | 169.2 | 0 | 112.5 | L1001 S1002 V1003 C1009 | L1001-K1005 WeakPolarHBondContact O-CD 3.48Å; L1001-K1005 VanDerWaalsContact O-CG 3.28Å; L1001-K1005 WeakPolarHBondContact O-CG 3.48Å; L1001-K1005 PolarHBondContact O-N 3.37Å; L1001-K1005 VanDerWaalsContact O-N 3.14Å; S1002-K1005 PolarHBondContact O-N 2.71Å; V1003-K1005 PolarHBondContact O-N 3.09Å; K1005-C1009 WeakPolarHBondContact O-CB 3.34Å; K1005-C1009 PolarHBondContact O-N 2.84Å; K1005-C1009 VanDerWaalsContact O-N 3.12Å; K1005-C1009 PolarHBondContact O-SG 3.04Å |
| 1006 | C | 84.4 | Confident | 84.3 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.054 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.4 | -40.1 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | L676 M987 S1002 V1003 S1004 C1009 I1010 | L676-C1006 HydrophobicContact CD1-CB 4.08Å; M987-C1006 HydrophobicContact CE-CB 3.93Å; M987-C1006 HydrophobicContact SD-CB 4.35Å; S1002-C1006 PolarHBondContact O-N 2.83Å; S1002-C1006 VanDerWaalsContact O-N 3.14Å; S1002-C1006 PolarHBondContact O-SG 3.37Å; V1003-C1006 CarbonylContact O-C 3.59Å; V1003-C1006 WeakPolarHBondContact O-CA 3.16Å; V1003-C1006 WeakPolarHBondContact O-CB 3.49Å; V1003-C1006 PolarHBondContact O-N 3.29Å; S1004-C1006 VanDerWaalsContact C-N 3.26Å; S1004-C1006 PolarHBondContact O-N 3.33Å; C1006-C1009 WeakPolarHBondContact O-CB 3.42Å; C1006-C1009 PolarHBondContact O-N 3.08Å; C1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; C1006-I1010 PolarHBondContact O-N 3.12Å; C1006-I1010 VanDerWaalsContact O-N 3.08Å |
| 1007 | K | 89.8 | Confident | 84 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56 | -54.9 | 172.9 | -167.1 | -159.7 | -176.8 | -151 | 0 | 110.4 | L984 M987 E988 V1003 S1004 C1009 I1010 E1011 | L984-K1007 HydrophobicContact CD1-CB 4.5Å; L984-K1007 HydrophobicContact CD1-CD 4.34Å; L984-K1007 HydrophobicContact CD1-CG 3.41Å; L984-K1007 VanDerWaalsContact CD1-CG 3.41Å; M987-K1007 HydrophobicContact CB-CB 4.38Å; E988-K1007 WeakPolarHBondContact OE1-CE 3.46Å; E988-K1007 IonicContact OE1-NZ 2.77Å; E988-K1007 PolarHBondContact OE1-NZ 2.58Å; V1003-K1007 PolarHBondContact O-N 3.06Å; S1004-K1007 WeakPolarHBondContact O-CB 3.45Å; S1004-K1007 PolarHBondContact O-N 3.34Å; K1007-C1009 VanDerWaalsContact C-N 3.26Å; K1007-C1009 PolarHBondContact O-N 2.71Å; K1007-I1010 WeakPolarHBondContact O-CA 3.39Å; K1007-I1010 WeakPolarHBondContact O-CB 3.48Å; K1007-I1010 PolarHBondContact O-N 2.79Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.44Å; K1007-E1011 IonicContact NZ-OE1 2.67Å; K1007-E1011 PolarHBondContact NZ-OE1 2.93Å; K1007-E1011 WeakPolarHBondContact O-CG 3.18Å; K1007-E1011 PolarHBondContact O-N 3Å |
| 1008 | E | 86.8 | Confident | 83.6 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -33.3 | -179.5 | -159.8 | -160.1 | -172.6 | 0 | 0 | 112.2 | S1004 E1011 R1012 | S1004-E1008 PolarHBondContact O-N 2.81Å; E1008-E1011 WeakPolarHBondContact CA-OE2 3.24Å; E1008-R1012 VanDerWaalsContact CD-NH1 3.26Å; E1008-R1012 WeakPolarHBondContact O-CB 3.36Å; E1008-R1012 VanDerWaalsContact O-CG 3.22Å; E1008-R1012 WeakPolarHBondContact O-CG 3.29Å; E1008-R1012 PolarHBondContact O-N 3.07Å; E1008-R1012 IonicContact OE1-CZ 3.91Å; E1008-R1012 IonicContact OE1-NE 3.1Å; E1008-R1012 IonicContact OE1-NH1 2.65Å; E1008-R1012 IonicContact OE1-NH2 2.83Å; E1008-R1012 PolarHBondContact OE1-NH2 3.21Å; E1008-R1012 IonicContact OE2-CZ 3.99Å; E1008-R1012 IonicContact OE2-NH1 3.03Å; E1008-R1012 PolarHBondContact OE2-NH1 2.89Å; E1008-R1012 IonicContact OE2-NH2 2.68Å; E1008-R1012 PolarHBondContact OE2-NH2 3.32Å |
| 1009 | C | 83.6 | Confident | 83.2 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 14% | 0.142 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 171.9 | -77 | 0 | 0 | 0 | 0 | 113.5 | F681 K1005 C1006 K1007 R1013 | F681-C1009 HydrophobicContact CE2-CB 3.88Å; F681-C1009 VanDerWaalsContact CE2-SG 3.55Å; F681-C1009 HydrophobicContact CZ-CB 4.41Å; K1005-C1009 WeakPolarHBondContact O-CB 3.34Å; K1005-C1009 PolarHBondContact O-N 2.84Å; K1005-C1009 VanDerWaalsContact O-N 3.12Å; K1005-C1009 PolarHBondContact O-SG 3.04Å; C1006-C1009 WeakPolarHBondContact O-CB 3.42Å; C1006-C1009 PolarHBondContact O-N 3.08Å; K1007-C1009 VanDerWaalsContact C-N 3.26Å; K1007-C1009 PolarHBondContact O-N 2.71Å; C1009-R1013 PolarHBondContact O-N 3.23Å |
| 1010 | I | 88.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.2 | -43.8 | 175.8 | -65 | 159.2 | 0 | 0 | 0 | 110.2 | V961 Y980 A983 L984 M987 C1006 K1007 R1013 L1014 | V961-I1010 HydrophobicContact CG2-CD1 3.95Å; V961-I1010 HydrophobicContact CG2-CG1 4.13Å; Y980-I1010 HydrophobicContact CD1-CG2 4.2Å; Y980-I1010 WeakPolarHBondContact O-CG2 3.24Å; A983-I1010 HydrophobicContact CB-CD1 4.25Å; L984-I1010 HydrophobicContact CB-CG2 4.01Å; L984-I1010 HydrophobicContact CD1-CB 4.32Å; L984-I1010 HydrophobicContact CD1-CG2 4.19Å; M987-I1010 HydrophobicContact CG-CD1 3.87Å; C1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; C1006-I1010 PolarHBondContact O-N 3.12Å; C1006-I1010 VanDerWaalsContact O-N 3.08Å; K1007-I1010 WeakPolarHBondContact O-CA 3.39Å; K1007-I1010 WeakPolarHBondContact O-CB 3.48Å; K1007-I1010 PolarHBondContact O-N 2.79Å; I1010-R1013 PolarHBondContact O-N 3.27Å; I1010-R1013 VanDerWaalsContact O-N 3.09Å; I1010-L1014 HydrophobicContact CG2-CD1 4.21Å; I1010-L1014 PolarHBondContact O-N 2.79Å |
| 1011 | E | 89.9 | Confident | 80 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.5 | -52.8 | 177.3 | -69.2 | 170.4 | 155.7 | 0 | 0 | 111.2 | L984 K1007 E1008 R1013 L1014 T1015 | L984-E1011 HydrophobicContact CD1-CG 3.48Å; L984-E1011 VanDerWaalsContact CD1-CG 3.48Å; L984-E1011 HydrophobicContact CD2-CG 4.01Å; L984-E1011 HydrophobicContact CG-CG 4.41Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.44Å; K1007-E1011 IonicContact NZ-OE1 2.67Å; K1007-E1011 PolarHBondContact NZ-OE1 2.93Å; K1007-E1011 WeakPolarHBondContact O-CG 3.18Å; K1007-E1011 PolarHBondContact O-N 3Å; E1008-E1011 WeakPolarHBondContact CA-OE2 3.24Å; E1011-R1013 PolarHBondContact O-N 2.95Å; E1011-R1013 VanDerWaalsContact O-N 3.13Å; E1011-L1014 PolarHBondContact O-N 3.36Å; E1011-L1014 VanDerWaalsContact O-N 3.11Å; E1011-T1015 PolarHBondContact O-N 2.95Å; E1011-T1015 PolarHBondContact O-OG1 3.17Å; E1011-T1015 VanDerWaalsContact O-OG1 3.08Å |
| 1012 | R | 85.8 | Confident | 78 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.2 | -34.1 | 175.1 | -71.8 | 173.1 | -174.3 | 122.4 | -10.9 | 112.7 | E1008 A1016 | E1008-R1012 VanDerWaalsContact CD-NH1 3.26Å; E1008-R1012 WeakPolarHBondContact O-CB 3.36Å; E1008-R1012 VanDerWaalsContact O-CG 3.22Å; E1008-R1012 WeakPolarHBondContact O-CG 3.29Å; E1008-R1012 PolarHBondContact O-N 3.07Å; E1008-R1012 IonicContact OE1-CZ 3.91Å; E1008-R1012 IonicContact OE1-NE 3.1Å; E1008-R1012 IonicContact OE1-NH1 2.65Å; E1008-R1012 IonicContact OE1-NH2 2.83Å; E1008-R1012 PolarHBondContact OE1-NH2 3.21Å; E1008-R1012 IonicContact OE2-CZ 3.99Å; E1008-R1012 IonicContact OE2-NH1 3.03Å; E1008-R1012 PolarHBondContact OE2-NH1 2.89Å; E1008-R1012 IonicContact OE2-NH2 2.68Å; E1008-R1012 PolarHBondContact OE2-NH2 3.32Å; R1012-A1016 PolarHBondContact O-N 2.72Å |
| 1013 | R | 84.6 | Confident | 75.9 | Confident | 64 Ų | 64 | 64 Ų | 64 | 24% | 0.242 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -76.7 | -41 | 178.9 | -171.4 | 45.6 | 152 | 179.7 | -13.7 | 112.2 | E968 Y980 C1009 I1010 E1011 T1015 A1016 L1017 C1022 | E968-R1013 IonicContact OE1-CZ 3.33Å; E968-R1013 IonicContact OE1-NE 3.43Å; E968-R1013 IonicContact OE1-NH1 3.84Å; E968-R1013 PolarHBondContact OE1-NH1 3.45Å; E968-R1013 IonicContact OE1-NH2 3.28Å; E968-R1013 PolarHBondContact OE1-NH2 3.48Å; E968-R1013 IonicContact OE2-CZ 2.75Å; E968-R1013 IonicContact OE2-NE 2.71Å; E968-R1013 PolarHBondContact OE2-NE 3.29Å; E968-R1013 IonicContact OE2-NH1 3.96Å; E968-R1013 IonicContact OE2-NH2 2.81Å; E968-R1013 PolarHBondContact OE2-NH2 3Å; Y980-R1013 HydrophobicContact CE1-CG 4.28Å; Y980-R1013 HydrophobicContact CE2-CG 3.99Å; C1009-R1013 PolarHBondContact O-N 3.23Å; I1010-R1013 PolarHBondContact O-N 3.27Å; I1010-R1013 VanDerWaalsContact O-N 3.09Å; E1011-R1013 PolarHBondContact O-N 2.95Å; E1011-R1013 VanDerWaalsContact O-N 3.13Å; R1013-T1015 VanDerWaalsContact C-N 3.35Å; R1013-T1015 PolarHBondContact O-N 3.31Å; R1013-A1016 PolarHBondContact O-N 3.41Å; R1013-L1017 HydrophobicContact CG-CD1 4.37Å; R1013-L1017 WeakPolarHBondContact O-CG 3.38Å; R1013-L1017 PolarHBondContact O-N 2.98Å; R1013-C1022 PolarHBondContact NH1-SG 3.45Å |
| 1014 | L | 86.1 | Confident | 75.3 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 171.8 | -77.7 | 172.5 | 0 | 0 | 0 | 111.6 | I977 Y980 H981 L984 I1010 E1011 A1016 L1017 Q1018 | I977-L1014 HydrophobicContact CG2-CD2 4.2Å; Y980-L1014 VanDerWaalsContact CB-CD2 3.43Å; Y980-L1014 HydrophobicContact CG-CD2 4.38Å; H981-L1014 VanDerWaalsContact CE1-CD2 3.5Å; H981-L1014 WeakPolarHBondContact CE1-CD2 3.38Å; H981-L1014 WeakPolarHBondContact ND1-CD2 2.89Å; L984-L1014 HydrophobicContact CD2-CD1 4.06Å; I1010-L1014 HydrophobicContact CG2-CD1 4.21Å; I1010-L1014 PolarHBondContact O-N 2.79Å; E1011-L1014 PolarHBondContact O-N 3.36Å; E1011-L1014 VanDerWaalsContact O-N 3.11Å; L1014-A1016 VanDerWaalsContact C-N 3.33Å; L1014-A1016 PolarHBondContact O-N 3.43Å; L1014-L1017 PolarHBondContact O-N 3.16Å; L1014-Q1018 WeakPolarHBondContact O-CB 3.39Å; L1014-Q1018 WeakPolarHBondContact O-CG 3.42Å; L1014-Q1018 PolarHBondContact O-N 3.4Å |
| 1015 | T | 85.6 | Confident | 74.8 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 176.4 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | E1011 R1013 L1017 S1019 | E1011-T1015 PolarHBondContact O-N 2.95Å; E1011-T1015 PolarHBondContact O-OG1 3.17Å; E1011-T1015 VanDerWaalsContact O-OG1 3.08Å; R1013-T1015 VanDerWaalsContact C-N 3.35Å; R1013-T1015 PolarHBondContact O-N 3.31Å; T1015-L1017 VanDerWaalsContact C-N 3.34Å; T1015-L1017 PolarHBondContact O-N 2.96Å; T1015-S1019 WeakPolarHBondContact O-CB 3.29Å; T1015-S1019 PolarHBondContact O-N 2.83Å; T1015-S1019 VanDerWaalsContact O-N 3.08Å; T1015-S1019 PolarHBondContact O-OG 3.2Å |
| 1016 | A | 79.2 | Confident | 74.3 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 24% | 0.24 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.8 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1012 R1013 L1014 S1019 | R1012-A1016 PolarHBondContact O-N 2.72Å; R1013-A1016 PolarHBondContact O-N 3.41Å; L1014-A1016 VanDerWaalsContact C-N 3.33Å; L1014-A1016 PolarHBondContact O-N 3.43Å; A1016-S1019 PolarHBondContact O-OG 3.32Å |
| 1017 | L | 76.8 | Confident | 73.7 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.6 | -46.8 | 175.6 | -68 | 168.5 | 0 | 0 | 0 | 111.7 | E968 I977 Y980 R1013 L1014 T1015 S1019 G1020 C1022 | E968-L1017 HydrophobicContact CG-CD2 3.86Å; I977-L1017 HydrophobicContact CD1-CB 4.22Å; I977-L1017 HydrophobicContact CG1-CB 4.03Å; I977-L1017 HydrophobicContact CG1-CD1 4Å; Y980-L1017 HydrophobicContact CD2-CD1 3.73Å; Y980-L1017 HydrophobicContact CE2-CD1 3.77Å; R1013-L1017 HydrophobicContact CG-CD1 4.37Å; R1013-L1017 WeakPolarHBondContact O-CG 3.38Å; R1013-L1017 PolarHBondContact O-N 2.98Å; L1014-L1017 PolarHBondContact O-N 3.16Å; T1015-L1017 VanDerWaalsContact C-N 3.34Å; T1015-L1017 PolarHBondContact O-N 2.96Å; L1017-S1019 VanDerWaalsContact C-N 3.27Å; L1017-S1019 PolarHBondContact O-N 3.03Å; L1017-G1020 PolarHBondContact O-N 3.27Å; L1017-C1022 HydrophobicContact CD2-CB 4.37Å |
| 1018 | Q | 73.1 | Confident | 72.7 | Confident | 122 Ų | 122 | 68.8 Ų | 68.8 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.6 | -26.4 | -179.4 | -73.1 | 171.5 | -22.7 | 0 | 0 | 113.6 | L1014 G1020 | L1014-Q1018 WeakPolarHBondContact O-CB 3.39Å; L1014-Q1018 WeakPolarHBondContact O-CG 3.42Å; L1014-Q1018 PolarHBondContact O-N 3.4Å; Q1018-G1020 VanDerWaalsContact C-N 3.28Å; Q1018-G1020 PolarHBondContact O-N 2.9Å |
| 1019 | S | 68.9 | Low | 71.7 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.7 | 177.6 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | T1015 A1016 L1017 L1021 | T1015-S1019 WeakPolarHBondContact O-CB 3.29Å; T1015-S1019 PolarHBondContact O-N 2.83Å; T1015-S1019 VanDerWaalsContact O-N 3.08Å; T1015-S1019 PolarHBondContact O-OG 3.2Å; A1016-S1019 PolarHBondContact O-OG 3.32Å; L1017-S1019 VanDerWaalsContact C-N 3.27Å; L1017-S1019 PolarHBondContact O-N 3.03Å; S1019-L1021 PolarHBondContact O-N 3.1Å |
| 1020 | G | 52.4 | Low | 70.9 | Confident | 57 Ų | 57 | 71 Ų | 71 | 59% | 0.588 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 13.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1017 Q1018 C1022 | L1017-G1020 PolarHBondContact O-N 3.27Å; Q1018-G1020 VanDerWaalsContact C-N 3.28Å; Q1018-G1020 PolarHBondContact O-N 2.9Å; G1020-C1022 PolarHBondContact O-N 2.88Å |
| 1021 | L | 45.4 | Very low | 69.5 | Low | 127 Ų | 127 | 76 Ų | 76 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | trans | -81.9 | 18.6 | -177.7 | -81.3 | 167.5 | 0 | 0 | 0 | 113.7 | S1019 | S1019-L1021 PolarHBondContact O-N 3.1Š| ||
| 1022 | C | 40.5 | Very low | 67.8 | Low | 59 Ų | 59 | 76.9 Ų | 76.9 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | trans | -140.7 | 85.3 | 178.9 | -72.8 | 0 | 0 | 0 | 0 | 110.4 | R1013 L1017 G1020 | R1013-C1022 PolarHBondContact NH1-SG 3.45Å; L1017-C1022 HydrophobicContact CD2-CB 4.37Å; G1020-C1022 PolarHBondContact O-N 2.88Å | ||
| 1023 | V | 35.5 | Very low | 66.2 | Low | 152 Ų | 152 | 72.5 Ų | 72.5 | 92% | 0.921 | 44% | 0.437 | S | S | * | . | trans | -138 | 0 | 162.1 | -176.1 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 1,023 of 1,023 residues in 330.8 ms
(Link to these results)