| 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 | 38.8 | Very low | 64.8 | Low | 184 Ų | 184 | 91.4 Ų | 91.4 | 91% | 0.906 | 46% | 0.455 | S | S | * | . | 0 | -107.4 | 0 | -64.6 | -50.5 | -87.6 | 0 | 0 | 114 | R3 F4 S5 E40 | M1-R3 PolarHBondContact O-N 2.83Å; M1-F4 CarbonylContact O-C 3.52Å; M1-F4 WeakPolarHBondContact O-CA 3.32Å; M1-F4 PolarHBondContact O-N 2.9Å; M1-S5 PolarHBondContact O-N 3.36Å; M1-S5 VanDerWaalsContact O-N 3.11Å; M1-E40 PolarHBondContact N-OE1 2.68Å | |||
| 2 | E | 53.5 | Low | 65.9 | Low | 172 Ų | 172 | 90.7 Ų | 90.7 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -55.8 | -45.3 | -161.4 | -171.5 | 177.2 | -139.4 | 0 | 0 | 114.8 | F4 S5 | E2-F4 PolarHBondContact O-N 2.85Å; E2-S5 VanDerWaalsContact O-CB 3.23Å; E2-S5 WeakPolarHBondContact O-CB 3.12Å; E2-S5 PolarHBondContact O-N 3.08Å; E2-S5 PolarHBondContact O-OG 3.15Å |
| 3 | R | 57.4 | Low | 67.2 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 56% | 0.555 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -51.7 | -41.8 | 174.7 | -63 | -176.3 | -175.3 | 170.2 | 0.9 | 112.5 | M1 | M1-R3 PolarHBondContact O-N 2.83Å |
| 4 | F | 62.9 | Low | 68.1 | Low | 20 Ų | 20 | 88.3 Ų | 88.3 | 9% | 0.088 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -87.9 | -0.3 | 179.5 | -61.9 | -54.2 | 0 | 0 | 0 | 114.6 | M1 E2 K6 L7 D29 L36 E40 V44 | M1-F4 CarbonylContact O-C 3.52Å; M1-F4 WeakPolarHBondContact O-CA 3.32Å; M1-F4 PolarHBondContact O-N 2.9Å; E2-F4 PolarHBondContact O-N 2.85Å; F4-K6 PolarHBondContact O-N 3.5Å; F4-L7 HydrophobicContact CB-CD1 3.9Å; F4-L7 HydrophobicContact CB-CG 4.24Å; F4-L7 HydrophobicContact CD1-CD1 3.55Å; F4-L7 HydrophobicContact CD1-CG 3.96Å; F4-L7 HydrophobicContact CE1-CD1 4.42Å; F4-L7 HydrophobicContact CG-CD1 4Å; F4-L7 VanDerWaalsContact O-CB 3.3Å; F4-L7 WeakPolarHBondContact O-CB 3.45Å; F4-L7 PolarHBondContact O-N 2.89Å; F4-D29 HydrophobicContact CE1-CB 4.07Å; F4-D29 HydrophobicContact CZ-CB 4.39Å; F4-L36 HydrophobicContact CE1-CD1 4.24Å; F4-L36 HydrophobicContact CE2-CD1 3.53Å; F4-L36 HydrophobicContact CZ-CD1 3.36Å; F4-E40 HydrophobicContact CD2-CB 4.21Å; F4-E40 HydrophobicContact CD2-CG 4.03Å; F4-E40 VanDerWaalsContact CD2-OE1 3.29Å; F4-E40 WeakPolarHBondContact CD2-OE1 3.21Å; F4-E40 HydrophobicContact CE2-CB 4.32Å; F4-E40 HydrophobicContact CE2-CG 4.45Å; F4-E40 WeakPolarHBondContact CE2-OE2 3.36Å; F4-V44 HydrophobicContact CE1-CG2 4.28Å |
| 5 | S | 63.4 | Low | 68.9 | Low | 66 Ų | 66 | 85.5 Ų | 85.5 | 46% | 0.462 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.8 | -34.2 | 167.9 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | M1 E2 L7 V8 | M1-S5 PolarHBondContact O-N 3.36Å; M1-S5 VanDerWaalsContact O-N 3.11Å; E2-S5 VanDerWaalsContact O-CB 3.23Å; E2-S5 WeakPolarHBondContact O-CB 3.12Å; E2-S5 PolarHBondContact O-N 3.08Å; E2-S5 PolarHBondContact O-OG 3.15Å; S5-L7 PolarHBondContact O-N 2.83Å; S5-V8 PolarHBondContact O-N 3Å |
| 6 | K | 73.6 | Confident | 70 | Confident | 99 Ų | 99 | 81.3 Ų | 81.3 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -54.7 | -34.6 | 170.3 | -72.8 | -173.6 | 176.4 | -176.3 | 0 | 112.7 | F4 V8 L9 L10 D25 | F4-K6 PolarHBondContact O-N 3.5Å; K6-V8 VanDerWaalsContact C-N 3.26Å; K6-V8 PolarHBondContact O-N 2.94Å; K6-L9 WeakPolarHBondContact O-CB 3.49Å; K6-L9 PolarHBondContact O-N 2.84Å; K6-L9 VanDerWaalsContact O-N 3.15Å; K6-L10 HydrophobicContact CB-CD1 4.46Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.27Å; K6-L10 PolarHBondContact O-N 2.85Å; K6-D25 IonicContact NZ-OD2 3.72Å; K6-D25 PolarHBondContact NZ-OD2 3.07Å |
| 7 | L | 71.5 | Confident | 71 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.3 | -33.1 | -180 | -66.6 | 179.1 | 0 | 0 | 0 | 112.6 | F4 S5 L9 L10 N11 L26 V44 C47 | F4-L7 HydrophobicContact CB-CD1 3.9Å; F4-L7 HydrophobicContact CB-CG 4.24Å; F4-L7 HydrophobicContact CD1-CD1 3.55Å; F4-L7 HydrophobicContact CD1-CG 3.96Å; F4-L7 HydrophobicContact CE1-CD1 4.42Å; F4-L7 HydrophobicContact CG-CD1 4Å; F4-L7 VanDerWaalsContact O-CB 3.3Å; F4-L7 WeakPolarHBondContact O-CB 3.45Å; F4-L7 PolarHBondContact O-N 2.89Å; S5-L7 PolarHBondContact O-N 2.83Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.85Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-N11 WeakPolarHBondContact O-CB 3.47Å; L7-N11 PolarHBondContact O-N 3.2Å; L7-L26 HydrophobicContact CD2-CD1 3.91Å; L7-V44 HydrophobicContact CD1-CB 4.43Å; L7-V44 HydrophobicContact CD1-CG2 3.47Å; L7-V44 VanDerWaalsContact CD1-CG2 3.47Å; L7-V44 HydrophobicContact CD2-CG2 4.25Å; L7-V44 HydrophobicContact CG-CG2 4.5Å; L7-C47 HydrophobicContact CD2-CB 4.41Å |
| 8 | V | 68 | Low | 71.9 | Confident | 112 Ų | 112 | 73 Ų | 73 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | S5 K6 S12 | S5-V8 PolarHBondContact O-N 3Å; K6-V8 VanDerWaalsContact C-N 3.26Å; K6-V8 PolarHBondContact O-N 2.94Å; V8-S12 PolarHBondContact O-N 3.44Å |
| 9 | L | 71.3 | Confident | 72.6 | Confident | 123 Ų | 123 | 74.4 Ų | 74.4 | 64% | 0.644 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.2 | -49.9 | 174.4 | -68.1 | 166 | 0 | 0 | 0 | 111.4 | K6 L7 N11 S12 Q13 | K6-L9 WeakPolarHBondContact O-CB 3.49Å; K6-L9 PolarHBondContact O-N 2.84Å; K6-L9 VanDerWaalsContact O-N 3.15Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.85Å; L9-N11 VanDerWaalsContact C-N 3.32Å; L9-N11 PolarHBondContact O-N 2.92Å; L9-S12 WeakPolarHBondContact O-CA 3.28Å; L9-S12 WeakPolarHBondContact O-CB 3.35Å; L9-S12 PolarHBondContact O-N 2.9Å; L9-S12 PolarHBondContact O-OG 3.21Å; L9-Q13 PolarHBondContact O-N 3.36Å |
| 10 | L | 76 | Confident | 72.8 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 7% | 0.073 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 179.4 | -65.9 | 171.9 | 0 | 0 | 0 | 112 | K6 L7 S12 Q13 P14 S16 L17 N22 | K6-L10 HydrophobicContact CB-CD1 4.46Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.27Å; K6-L10 PolarHBondContact O-N 2.85Å; L7-L10 PolarHBondContact O-N 3.36Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 2.9Å; L10-Q13 CarbonylContact O-C 3.57Å; L10-Q13 PolarHBondContact O-N 2.95Å; L10-P14 VanDerWaalsContact O-CA 3.25Å; L10-P14 WeakPolarHBondContact O-CA 3.39Å; L10-P14 VanDerWaalsContact O-N 3.11Å; L10-S16 VanDerWaalsContact CD2-OG 3.27Å; L10-S16 WeakPolarHBondContact CD2-OG 3.45Å; L10-L17 HydrophobicContact CD1-CD1 4.03Å; L10-N22 HydrophobicContact CD2-CB 4.24Å |
| 11 | N | 76.7 | Confident | 73.4 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.8 | -20.4 | 176.1 | -165.5 | 29.3 | 0 | 0 | 0 | 112.7 | L7 L9 C47 N50 | L7-N11 WeakPolarHBondContact O-CB 3.47Å; L7-N11 PolarHBondContact O-N 3.2Å; L9-N11 VanDerWaalsContact C-N 3.32Å; L9-N11 PolarHBondContact O-N 2.92Å; N11-C47 HydrophobicContact CB-CB 4.34Å; N11-N50 PolarHBondContact OD1-ND2 2.78Å |
| 12 | S | 77.9 | Confident | 75.7 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 58% | 0.58 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -78.6 | -22.6 | 170.4 | 82.2 | 0 | 0 | 0 | 0 | 113.3 | V8 L9 L10 | V8-S12 PolarHBondContact O-N 3.44Å; L9-S12 WeakPolarHBondContact O-CA 3.28Å; L9-S12 WeakPolarHBondContact O-CB 3.35Å; L9-S12 PolarHBondContact O-N 2.9Å; L9-S12 PolarHBondContact O-OG 3.21Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 2.9Å |
| 13 | Q | 82.8 | Confident | 77.3 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -136.6 | 71.6 | 174.8 | -63.1 | -169.6 | 12.2 | 0 | 0 | 111.1 | L9 L10 S15 S16 | L9-Q13 PolarHBondContact O-N 3.36Å; L10-Q13 CarbonylContact O-C 3.57Å; L10-Q13 PolarHBondContact O-N 2.95Å; Q13-S15 PolarHBondContact O-N 2.9Å; Q13-S16 WeakPolarHBondContact O-CB 3.48Å; Q13-S16 PolarHBondContact O-N 3.37Å; Q13-S16 PolarHBondContact O-OG 3.37Å |
| 14 | P | 79.4 | Confident | 78.9 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -58.6 | -21.2 | -167.6 | -25.6 | 34.6 | 0 | 0 | 0 | 115.6 | L10 S16 L17 N50 A51 | L10-P14 VanDerWaalsContact O-CA 3.25Å; L10-P14 WeakPolarHBondContact O-CA 3.39Å; L10-P14 VanDerWaalsContact O-N 3.11Å; P14-S16 VanDerWaalsContact C-N 3.28Å; P14-S16 PolarHBondContact O-N 3.42Å; P14-L17 PolarHBondContact O-N 3.1Å; P14-N50 HydrophobicContact CB-CB 3.93Å; P14-N50 HydrophobicContact CG-CB 3.81Å; P14-A51 HydrophobicContact CB-CB 4.23Å; P14-A51 WeakPolarHBondContact O-CB 3.44Å |
| 15 | S | 80.9 | Confident | 80.1 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -61.4 | -30.2 | 171.7 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | Q13 L17 F18 C55 | Q13-S15 PolarHBondContact O-N 2.9Å; S15-L17 PolarHBondContact O-N 3.42Å; S15-F18 PolarHBondContact O-N 2.86Å; S15-C55 WeakPolarHBondContact CB-SG 3.29Å |
| 16 | S | 85.6 | Confident | 81.2 | Confident | 18 Ų | 18 | 61 Ų | 61 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -72.9 | -16.9 | -177.2 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | L10 Q13 P14 F18 Q19 N22 | L10-S16 VanDerWaalsContact CD2-OG 3.27Å; L10-S16 WeakPolarHBondContact CD2-OG 3.45Å; Q13-S16 WeakPolarHBondContact O-CB 3.48Å; Q13-S16 PolarHBondContact O-N 3.37Å; Q13-S16 PolarHBondContact O-OG 3.37Å; P14-S16 VanDerWaalsContact C-N 3.28Å; P14-S16 PolarHBondContact O-N 3.42Å; S16-F18 PolarHBondContact O-N 2.95Å; S16-Q19 WeakPolarHBondContact O-CB 3.3Å; S16-Q19 PolarHBondContact O-N 2.92Å; S16-N22 PolarHBondContact O-ND2 3Å; S16-N22 VanDerWaalsContact O-ND2 3.07Å |
| 17 | L | 87 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -59.6 | -32 | 175 | -175.3 | 65.8 | 0 | 0 | 0 | 111.9 | L10 P14 S15 Q19 N22 L23 L26 V48 A51 | L10-L17 HydrophobicContact CD1-CD1 4.03Å; P14-L17 PolarHBondContact O-N 3.1Å; S15-L17 PolarHBondContact O-N 3.42Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-N22 HydrophobicContact CD1-CB 4.44Å; L17-N22 WeakPolarHBondContact O-CB 3.48Å; L17-L23 HydrophobicContact CD1-CD1 4.2Å; L17-L23 HydrophobicContact CD2-CD1 3.77Å; L17-L23 HydrophobicContact CG-CB 4.47Å; L17-L23 HydrophobicContact CG-CD1 3.79Å; L17-L23 WeakPolarHBondContact O-CB 3.25Å; L17-L23 PolarHBondContact O-N 2.98Å; L17-L26 HydrophobicContact CD1-CB 4.42Å; L17-L26 HydrophobicContact CD1-CD2 3.73Å; L17-L26 HydrophobicContact CD2-CD2 4.32Å; L17-V48 HydrophobicContact CD2-CG2 4.16Å; L17-A51 HydrophobicContact CB-CB 4.01Å; L17-A51 HydrophobicContact CD2-CB 3.58Å; L17-A51 HydrophobicContact CG-CB 4.39Å |
| 18 | F | 88.4 | Confident | 82.7 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -85.8 | -2.1 | 177.7 | -59 | -55.5 | 0 | 0 | 0 | 114.2 | S15 S16 L23 A51 C55 N58 A59 Q62 L66 | S15-F18 PolarHBondContact O-N 2.86Å; S16-F18 PolarHBondContact O-N 2.95Å; F18-L23 HydrophobicContact CD1-CD2 4.14Å; F18-L23 HydrophobicContact CE1-CD2 4.15Å; F18-A51 HydrophobicContact CE2-CB 3.84Å; F18-A51 WeakPolarHBondContact CE2-O 3.39Å; F18-A51 HydrophobicContact CZ-CB 3.9Å; F18-C55 HydrophobicContact CD2-CB 3.77Å; F18-C55 HydrophobicContact CE2-CB 3.85Å; F18-N58 HydrophobicContact CB-CB 3.83Å; F18-N58 HydrophobicContact CD1-CB 4.46Å; F18-N58 HydrophobicContact CD2-CB 3.63Å; F18-N58 HydrophobicContact CE2-CB 4.29Å; F18-N58 HydrophobicContact CG-CB 3.72Å; F18-A59 HydrophobicContact CE1-CB 4.32Å; F18-A59 HydrophobicContact CE2-CB 4.22Å; F18-A59 HydrophobicContact CZ-CB 3.69Å; F18-Q62 PolarHBondContact O-NE2 2.94Å; F18-L66 HydrophobicContact CE1-CD1 3.9Å; F18-L66 HydrophobicContact CE1-CD2 4.16Å; F18-L66 HydrophobicContact CE1-CG 4.31Å; F18-L66 HydrophobicContact CZ-CD1 4.26Å |
| 19 | Q | 84.7 | Confident | 83.6 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -98.7 | 159.9 | 179.5 | -62.3 | 175.6 | -34.5 | 0 | 0 | 110.6 | S16 L17 N21 N22 | S16-Q19 WeakPolarHBondContact O-CB 3.3Å; S16-Q19 PolarHBondContact O-N 2.92Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-N21 VanDerWaalsContact C-N 3.25Å; Q19-N21 PolarHBondContact O-N 3.35Å; Q19-N22 WeakPolarHBondContact O-CB 3.27Å; Q19-N22 PolarHBondContact O-N 3Å; Q19-N22 PolarHBondContact O-ND2 3.21Å |
| 20 | D | 76.2 | Confident | 84.3 | Confident | 142 Ų | 142 | 51.6 Ų | 51.6 | 76% | 0.759 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 39.5 | 163.3 | -51.5 | -24.5 | 0 | 0 | 0 | 115.7 | N22 | D20-N22 PolarHBondContact O-N 3.33Å; D20-N22 VanDerWaalsContact O-N 3.12Å |
| 21 | N | 84.6 | Confident | 84.8 | Confident | 118 Ų | 118 | 56 Ų | 56 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 9.5 | -175.8 | -58.8 | -36.7 | 0 | 0 | 0 | 116 | Q19 L23 L24 D25 | Q19-N21 VanDerWaalsContact C-N 3.25Å; Q19-N21 PolarHBondContact O-N 3.35Å; N21-L23 PolarHBondContact O-N 2.88Å; N21-L23 VanDerWaalsContact O-N 3.09Å; N21-L24 HydrophobicContact CB-CB 4.43Å; N21-L24 WeakPolarHBondContact O-CA 3.4Å; N21-L24 WeakPolarHBondContact O-CB 3.49Å; N21-L24 PolarHBondContact O-N 2.99Å; N21-D25 PolarHBondContact O-N 3.29Å |
| 22 | N | 87.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.7 | -34.4 | -176.7 | -72.7 | -61 | 0 | 0 | 0 | 113.6 | L10 S16 L17 Q19 D20 L26 | L10-N22 HydrophobicContact CD2-CB 4.24Å; S16-N22 PolarHBondContact O-ND2 3Å; S16-N22 VanDerWaalsContact O-ND2 3.07Å; L17-N22 HydrophobicContact CD1-CB 4.44Å; L17-N22 WeakPolarHBondContact O-CB 3.48Å; Q19-N22 WeakPolarHBondContact O-CB 3.27Å; Q19-N22 PolarHBondContact O-N 3Å; Q19-N22 PolarHBondContact O-ND2 3.21Å; D20-N22 PolarHBondContact O-N 3.33Å; D20-N22 VanDerWaalsContact O-N 3.12Å; N22-L26 VanDerWaalsContact O-CB 3.27Å; N22-L26 WeakPolarHBondContact O-CB 3.33Å; N22-L26 PolarHBondContact O-N 3.08Å |
| 23 | L | 88.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.6 | -30.9 | 174.6 | -166.8 | 71.3 | 0 | 0 | 0 | 112.9 | L17 F18 N21 L27 Q62 L65 L66 I69 | L17-L23 HydrophobicContact CD1-CD1 4.2Å; L17-L23 HydrophobicContact CD2-CD1 3.77Å; L17-L23 HydrophobicContact CG-CB 4.47Å; L17-L23 HydrophobicContact CG-CD1 3.79Å; L17-L23 WeakPolarHBondContact O-CB 3.25Å; L17-L23 PolarHBondContact O-N 2.98Å; F18-L23 HydrophobicContact CD1-CD2 4.14Å; F18-L23 HydrophobicContact CE1-CD2 4.15Å; N21-L23 PolarHBondContact O-N 2.88Å; N21-L23 VanDerWaalsContact O-N 3.09Å; L23-L27 PolarHBondContact O-N 3.04Å; L23-Q62 HydrophobicContact CD2-CB 3.94Å; L23-Q62 VanDerWaalsContact CD2-OE1 3.26Å; L23-L65 HydrophobicContact CB-CD2 4.05Å; L23-L65 HydrophobicContact CD2-CB 4.13Å; L23-L65 HydrophobicContact CD2-CD2 3.75Å; L23-L65 HydrophobicContact CD2-CG 3.67Å; L23-L65 HydrophobicContact CG-CD2 3.88Å; L23-L65 HydrophobicContact CG-CG 3.88Å; L23-L66 HydrophobicContact CD1-CD2 3.93Å; L23-L66 HydrophobicContact CD2-CD2 4.08Å; L23-L66 HydrophobicContact CD2-CG 3.9Å; L23-I69 HydrophobicContact CD1-CD1 3.44Å; L23-I69 VanDerWaalsContact CD1-CD1 3.44Å; L23-I69 HydrophobicContact CD2-CD1 4.49Å; L23-I69 HydrophobicContact CG-CD1 3.66Å; L23-I69 WeakPolarHBondContact O-CD1 3.19Å |
| 24 | L | 89.7 | Confident | 84.6 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -78 | -41.3 | 177.3 | -173.9 | 64.8 | 0 | 0 | 0 | 111.1 | N21 L26 L27 H28 L65 | N21-L24 HydrophobicContact CB-CB 4.43Å; N21-L24 WeakPolarHBondContact O-CA 3.4Å; N21-L24 WeakPolarHBondContact O-CB 3.49Å; N21-L24 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.94Å; L24-L27 HydrophobicContact CD1-CD2 4.42Å; L24-L27 WeakPolarHBondContact O-CB 3.27Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-H28 PolarHBondContact O-N 2.9Å; L24-L65 HydrophobicContact CB-CD2 4.18Å; L24-L65 HydrophobicContact CD1-CD1 4.14Å; L24-L65 HydrophobicContact CD1-CD2 4.36Å |
| 25 | D | 87.9 | Confident | 84.1 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.8 | -46.7 | 167.3 | -80.5 | 20.5 | 0 | 0 | 0 | 110.2 | K6 N21 L27 H28 D29 | K6-D25 IonicContact NZ-OD2 3.72Å; K6-D25 PolarHBondContact NZ-OD2 3.07Å; N21-D25 PolarHBondContact O-N 3.29Å; D25-L27 PolarHBondContact O-N 2.76Å; D25-H28 WeakPolarHBondContact O-CB 3.49Å; D25-H28 PolarHBondContact O-N 3.27Å; D25-H28 VanDerWaalsContact O-N 3.11Å; D25-D29 PolarHBondContact O-N 3.46Å |
| 26 | L | 88 | Confident | 83.9 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.2 | -177.8 | 60.6 | 0 | 0 | 0 | 112.6 | L7 L17 N22 L24 H28 V30 V44 V48 | L7-L26 HydrophobicContact CD2-CD1 3.91Å; L17-L26 HydrophobicContact CD1-CB 4.42Å; L17-L26 HydrophobicContact CD1-CD2 3.73Å; L17-L26 HydrophobicContact CD2-CD2 4.32Å; N22-L26 VanDerWaalsContact O-CB 3.27Å; N22-L26 WeakPolarHBondContact O-CB 3.33Å; N22-L26 PolarHBondContact O-N 3.08Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.94Å; L26-H28 VanDerWaalsContact C-N 3.33Å; L26-V30 HydrophobicContact CD1-CG2 3.93Å; L26-V30 HydrophobicContact CG-CG2 4.34Å; L26-V30 VanDerWaalsContact O-CB 3.23Å; L26-V30 WeakPolarHBondContact O-CB 3.33Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 2.65Å; L26-V44 HydrophobicContact CD1-CG1 4.13Å; L26-V44 HydrophobicContact CD1-CG2 4.15Å; L26-V44 HydrophobicContact CD2-CG1 4.32Å; L26-V48 HydrophobicContact CD2-CG2 3.73Å |
| 27 | L | 88.8 | Confident | 83.7 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 171.3 | 175.1 | 66.2 | 0 | 0 | 0 | 110.7 | L23 L24 D25 V30 Q31 L65 I69 L72 | L23-L27 PolarHBondContact O-N 3.04Å; L24-L27 HydrophobicContact CD1-CD2 4.42Å; L24-L27 WeakPolarHBondContact O-CB 3.27Å; L24-L27 PolarHBondContact O-N 3.28Å; D25-L27 PolarHBondContact O-N 2.76Å; L27-V30 CarbonylContact O-C 3.52Å; L27-V30 PolarHBondContact O-N 3.37Å; L27-Q31 HydrophobicContact CD1-CG 4.16Å; L27-Q31 HydrophobicContact CG-CG 4.35Å; L27-Q31 WeakPolarHBondContact O-CB 3.4Å; L27-Q31 VanDerWaalsContact O-CG 3.26Å; L27-Q31 WeakPolarHBondContact O-CG 3.5Å; L27-Q31 PolarHBondContact O-N 3.02Å; L27-L65 HydrophobicContact CB-CD1 3.82Å; L27-L65 HydrophobicContact CD2-CD1 3.46Å; L27-L65 VanDerWaalsContact CD2-CD1 3.46Å; L27-L65 HydrophobicContact CG-CD1 4.17Å; L27-I69 HydrophobicContact CB-CD1 4.17Å; L27-I69 HydrophobicContact CB-CG1 3.78Å; L27-I69 HydrophobicContact CD1-CG1 3.76Å; L27-I69 HydrophobicContact CG-CG1 4.35Å; L27-L72 HydrophobicContact CD1-CD1 3.62Å |
| 28 | H | 88.3 | Confident | 83.6 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | -178.3 | -179.5 | -100.1 | 0 | 0 | 0 | 112.2 | L24 D25 L26 Q31 I32 | L24-H28 PolarHBondContact O-N 2.9Å; D25-H28 WeakPolarHBondContact O-CB 3.49Å; D25-H28 PolarHBondContact O-N 3.27Å; D25-H28 VanDerWaalsContact O-N 3.11Å; L26-H28 VanDerWaalsContact C-N 3.33Å; H28-Q31 WeakPolarHBondContact O-CB 3.38Å; H28-Q31 PolarHBondContact O-N 3.03Å; H28-Q31 VanDerWaalsContact O-N 3.15Å; H28-I32 WeakPolarHBondContact CE1-CD1 3.41Å; H28-I32 WeakPolarHBondContact NE2-CD1 3.41Å; H28-I32 PolarHBondContact O-N 3.34Å |
| 29 | D | 85.8 | Confident | 83.3 | Confident | 26 Ų | 26 | 71.4 Ų | 71.4 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 173.8 | -81.2 | -26.8 | 0 | 0 | 0 | 112.1 | F4 D25 Q31 I32 S33 | F4-D29 HydrophobicContact CE1-CB 4.07Å; F4-D29 HydrophobicContact CZ-CB 4.39Å; D25-D29 PolarHBondContact O-N 3.46Å; D29-Q31 VanDerWaalsContact C-N 3.26Å; D29-Q31 PolarHBondContact O-N 3.17Å; D29-I32 PolarHBondContact O-N 3.16Å; D29-S33 VanDerWaalsContact O-CB 3.25Å; D29-S33 WeakPolarHBondContact O-CB 3.29Å; D29-S33 PolarHBondContact O-N 3.19Å; D29-S33 PolarHBondContact O-OG 3.4Å |
| 30 | V | 86.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.1 | -17.8 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | L26 L27 V44 L72 L73 R76 | L26-V30 HydrophobicContact CD1-CG2 3.93Å; L26-V30 HydrophobicContact CG-CG2 4.34Å; L26-V30 VanDerWaalsContact O-CB 3.23Å; L26-V30 WeakPolarHBondContact O-CB 3.33Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 2.65Å; L27-V30 CarbonylContact O-C 3.52Å; L27-V30 PolarHBondContact O-N 3.37Å; V30-V44 HydrophobicContact CG2-CG1 4.07Å; V30-V44 HydrophobicContact CG2-CG2 4.36Å; V30-L72 HydrophobicContact CG1-CB 3.8Å; V30-L72 HydrophobicContact CG1-CD1 4.06Å; V30-L73 HydrophobicContact CG1-CD2 4.23Å; V30-L73 HydrophobicContact CG1-CG 4.47Å; V30-R76 VanDerWaalsContact O-CZ 3.23Å; V30-R76 PolarHBondContact O-NH1 3.2Å; V30-R76 PolarHBondContact O-NH2 2.94Å |
| 31 | Q | 86.8 | Confident | 83.7 | Confident | 106 Ų | 106 | 62 Ų | 62 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -81.4 | -49.6 | 169.9 | -78.6 | 174.3 | -17.5 | 0 | 0 | 111.6 | L27 H28 D29 L72 | L27-Q31 HydrophobicContact CD1-CG 4.16Å; L27-Q31 HydrophobicContact CG-CG 4.35Å; L27-Q31 WeakPolarHBondContact O-CB 3.4Å; L27-Q31 VanDerWaalsContact O-CG 3.26Å; L27-Q31 WeakPolarHBondContact O-CG 3.5Å; L27-Q31 PolarHBondContact O-N 3.02Å; H28-Q31 WeakPolarHBondContact O-CB 3.38Å; H28-Q31 PolarHBondContact O-N 3.03Å; H28-Q31 VanDerWaalsContact O-N 3.15Å; D29-Q31 VanDerWaalsContact C-N 3.26Å; D29-Q31 PolarHBondContact O-N 3.17Å; Q31-L72 HydrophobicContact CG-CD1 3.45Å; Q31-L72 VanDerWaalsContact CG-CD1 3.45Å |
| 32 | I | 84.1 | Confident | 83.9 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 44% | 0.436 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.6 | -28.6 | -175.8 | -70.5 | -176.7 | 0 | 0 | 0 | 113 | H28 D29 E34 | H28-I32 WeakPolarHBondContact CE1-CD1 3.41Å; H28-I32 WeakPolarHBondContact NE2-CD1 3.41Å; H28-I32 PolarHBondContact O-N 3.34Å; D29-I32 PolarHBondContact O-N 3.16Å; I32-E34 VanDerWaalsContact C-N 3.3Å; I32-E34 PolarHBondContact O-N 3.01Å |
| 33 | S | 80 | Confident | 83.8 | Confident | 19 Ų | 19 | 62 Ų | 62 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | trans | -73.8 | 80.1 | 179.6 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | D29 N35 L36 R76 | D29-S33 VanDerWaalsContact O-CB 3.25Å; D29-S33 WeakPolarHBondContact O-CB 3.29Å; D29-S33 PolarHBondContact O-N 3.19Å; D29-S33 PolarHBondContact O-OG 3.4Å; S33-N35 VanDerWaalsContact C-N 3.27Å; S33-N35 PolarHBondContact O-N 3.26Å; S33-L36 PolarHBondContact O-N 3.38Å; S33-R76 PolarHBondContact O-NE 3Å; S33-R76 PolarHBondContact O-NH2 3.46Å | ||
| 34 | E | 68.8 | Low | 83.8 | Confident | 164 Ų | 164 | 61.9 Ų | 61.9 | 77% | 0.766 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -52.3 | 179.5 | -62.7 | -169.9 | 148.3 | 0 | 0 | 110.9 | I32 | I32-E34 VanDerWaalsContact C-N 3.3Å; I32-E34 PolarHBondContact O-N 3.01Å |
| 35 | N | 67.8 | Low | 83.9 | Confident | 149 Ų | 149 | 57.9 Ų | 57.9 | 80% | 0.797 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 67.6 | 175.1 | -60.3 | -50.7 | 0 | 0 | 0 | 111.4 | S33 E37 | S33-N35 VanDerWaalsContact C-N 3.27Å; S33-N35 PolarHBondContact O-N 3.26Å; N35-E37 PolarHBondContact O-N 2.88Å |
| 36 | L | 77.8 | Confident | 83.9 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | trans | -62.8 | 114.5 | 167.5 | -176.4 | 70.8 | 0 | 0 | 0 | 109.3 | F4 S33 E40 A41 L73 F80 | F4-L36 HydrophobicContact CE1-CD1 4.24Å; F4-L36 HydrophobicContact CE2-CD1 3.53Å; F4-L36 HydrophobicContact CZ-CD1 3.36Å; S33-L36 PolarHBondContact O-N 3.38Å; L36-E40 HydrophobicContact CD1-CB 3.61Å; L36-E40 HydrophobicContact CG-CB 4.2Å; L36-A41 HydrophobicContact CD2-CB 3.83Å; L36-A41 HydrophobicContact CG-CB 4.04Å; L36-L73 HydrophobicContact CD2-CD2 4.24Å; L36-F80 WeakPolarHBondContact O-CZ 3.44Å | ||
| 37 | E | 81.8 | Confident | 84 | Confident | 125 Ų | 125 | 56.6 Ų | 56.6 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | trans | -65.8 | 162.2 | -174.2 | -67.6 | -168.7 | 173.3 | 0 | 0 | 113.4 | N35 F39 E40 A41 | N35-E37 PolarHBondContact O-N 2.88Å; E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 3.09Å; E37-E40 HydrophobicContact CB-CG 4.33Å; E37-E40 PolarHBondContact O-N 2.88Å; E37-A41 VanDerWaalsContact O-CB 3.32Å; E37-A41 WeakPolarHBondContact O-CB 3.34Å; E37-A41 PolarHBondContact O-N 3.45Å | ||
| 38 | Y | 83.1 | Confident | 84.2 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.6 | -43.6 | -180 | 176 | -80.2 | 0 | 0 | 0 | 112.4 | R42 F80 E82 S84 E86 L88 | Y38-R42 WeakPolarHBondContact O-CB 3.44Å; Y38-R42 PolarHBondContact O-N 3.25Å; Y38-F80 HydrophobicContact CD2-CD1 4.39Å; Y38-E82 HydrophobicContact CD2-CB 4.29Å; Y38-E82 WeakPolarHBondContact CD2-OE2 3.45Å; Y38-E82 HydrophobicContact CE2-CB 4.45Å; Y38-S84 WeakPolarHBondContact CE2-OG 3.42Å; Y38-S84 WeakPolarHBondContact OH-CB 3.4Å; Y38-S84 PolarHBondContact OH-OG 3.38Å; Y38-S84 VanDerWaalsContact OH-OG 3.13Å; Y38-E86 PolarHBondContact OH-O 3.46Å; Y38-E86 VanDerWaalsContact OH-O 3.12Å; Y38-L88 HydrophobicContact CD2-CD1 3.37Å; Y38-L88 HydrophobicContact CD2-CG 3.78Å; Y38-L88 HydrophobicContact CE2-CD1 3.81Å; Y38-L88 HydrophobicContact CE2-CD2 4.49Å; Y38-L88 HydrophobicContact CE2-CG 3.65Å; Y38-L88 HydrophobicContact CG-CD1 3.97Å; Y38-L88 HydrophobicContact CG-CG 4.5Å |
| 39 | F | 82.8 | Confident | 84.4 | Confident | 124 Ų | 124 | 51 Ų | 51 | 54% | 0.544 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.6 | -43.7 | -179.4 | -65.3 | -77.3 | 0 | 0 | 0 | 112.1 | E37 R42 D43 | E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 3.09Å; F39-R42 PolarHBondContact O-N 3.03Å; F39-D43 WeakPolarHBondContact O-CB 3.49Å; F39-D43 PolarHBondContact O-N 2.7Å |
| 40 | E | 83.6 | Confident | 84.6 | Confident | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 175.5 | -61.3 | -174 | 145.3 | 0 | 0 | 110.5 | M1 F4 L36 E37 R42 D43 V44 | M1-E40 PolarHBondContact N-OE1 2.68Å; F4-E40 HydrophobicContact CD2-CB 4.21Å; F4-E40 HydrophobicContact CD2-CG 4.03Å; F4-E40 VanDerWaalsContact CD2-OE1 3.29Å; F4-E40 WeakPolarHBondContact CD2-OE1 3.21Å; F4-E40 HydrophobicContact CE2-CB 4.32Å; F4-E40 HydrophobicContact CE2-CG 4.45Å; F4-E40 WeakPolarHBondContact CE2-OE2 3.36Å; L36-E40 HydrophobicContact CD1-CB 3.61Å; L36-E40 HydrophobicContact CG-CB 4.2Å; E37-E40 HydrophobicContact CB-CG 4.33Å; E37-E40 PolarHBondContact O-N 2.88Å; E40-R42 PolarHBondContact O-N 3.07Å; E40-D43 PolarHBondContact O-N 3.41Å; E40-V44 VanDerWaalsContact O-CG2 3.28Å; E40-V44 WeakPolarHBondContact O-CG2 3.08Å; E40-V44 PolarHBondContact O-N 2.99Å |
| 41 | A | 86.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 E37 D43 I45 F80 L88 | L36-A41 HydrophobicContact CD2-CB 3.83Å; L36-A41 HydrophobicContact CG-CB 4.04Å; E37-A41 VanDerWaalsContact O-CB 3.32Å; E37-A41 WeakPolarHBondContact O-CB 3.34Å; E37-A41 PolarHBondContact O-N 3.45Å; A41-D43 PolarHBondContact O-N 2.98Å; A41-I45 WeakPolarHBondContact O-CB 3.46Å; A41-I45 VanDerWaalsContact O-CD1 3.27Å; A41-I45 WeakPolarHBondContact O-CD1 3.48Å; A41-I45 WeakPolarHBondContact O-CG1 3.49Å; A41-I45 PolarHBondContact O-N 2.93Å; A41-F80 HydrophobicContact CB-CE2 4.49Å; A41-L88 HydrophobicContact CB-CD1 4.2Å; A41-L88 HydrophobicContact CB-CD2 4.14Å |
| 42 | R | 87.3 | Confident | 85.2 | Confident | 85 Ų | 85 | 48 Ų | 48 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 175.9 | 165.7 | -176.2 | 153.2 | -158.7 | -13.1 | 111.6 | Y38 F39 E40 I45 I46 L88 | Y38-R42 WeakPolarHBondContact O-CB 3.44Å; Y38-R42 PolarHBondContact O-N 3.25Å; F39-R42 PolarHBondContact O-N 3.03Å; E40-R42 PolarHBondContact O-N 3.07Å; R42-I45 WeakPolarHBondContact O-CB 3.45Å; R42-I45 PolarHBondContact O-N 3.12Å; R42-I46 HydrophobicContact CG-CD1 3.8Å; R42-I46 WeakPolarHBondContact O-CG1 3.19Å; R42-I46 PolarHBondContact O-N 2.75Å; R42-L88 HydrophobicContact CB-CD2 3.93Å |
| 43 | D | 86.2 | Confident | 85.5 | Confident | 63 Ų | 63 | 48 Ų | 48 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -77.8 | -30.5 | -173.4 | -70.6 | -11.9 | 0 | 0 | 0 | 111.7 | F39 E40 A41 I46 C47 | F39-D43 WeakPolarHBondContact O-CB 3.49Å; F39-D43 PolarHBondContact O-N 2.7Å; E40-D43 PolarHBondContact O-N 3.41Å; A41-D43 PolarHBondContact O-N 2.98Å; D43-I46 PolarHBondContact O-N 3.44Å; D43-C47 VanDerWaalsContact O-CB 3.31Å; D43-C47 WeakPolarHBondContact O-CB 3.11Å; D43-C47 PolarHBondContact O-N 2.98Å |
| 44 | V | 89 | Confident | 85.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 163.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | F4 L7 L26 V30 E40 I46 C47 V48 L73 | F4-V44 HydrophobicContact CE1-CG2 4.28Å; L7-V44 HydrophobicContact CD1-CB 4.43Å; L7-V44 HydrophobicContact CD1-CG2 3.47Å; L7-V44 VanDerWaalsContact CD1-CG2 3.47Å; L7-V44 HydrophobicContact CD2-CG2 4.25Å; L7-V44 HydrophobicContact CG-CG2 4.5Å; L26-V44 HydrophobicContact CD1-CG1 4.13Å; L26-V44 HydrophobicContact CD1-CG2 4.15Å; L26-V44 HydrophobicContact CD2-CG1 4.32Å; V30-V44 HydrophobicContact CG2-CG1 4.07Å; V30-V44 HydrophobicContact CG2-CG2 4.36Å; E40-V44 VanDerWaalsContact O-CG2 3.28Å; E40-V44 WeakPolarHBondContact O-CG2 3.08Å; E40-V44 PolarHBondContact O-N 2.99Å; V44-I46 VanDerWaalsContact C-N 3.35Å; V44-I46 PolarHBondContact O-N 3.13Å; V44-C47 PolarHBondContact O-N 3.09Å; V44-V48 HydrophobicContact CG1-CG2 4.25Å; V44-V48 WeakPolarHBondContact O-CG2 3.37Å; V44-V48 PolarHBondContact O-N 2.81Å; V44-L73 HydrophobicContact CB-CD2 4.38Å; V44-L73 HydrophobicContact CG1-CD1 3.89Å; V44-L73 HydrophobicContact CG1-CD2 3.85Å; V44-L73 HydrophobicContact CG1-CG 4.45Å |
| 45 | I | 90.5 | Very high | 86.9 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | -179.1 | -70 | 158.5 | 0 | 0 | 0 | 111.4 | A41 R42 G49 L73 L88 R91 V92 I96 | A41-I45 WeakPolarHBondContact O-CB 3.46Å; A41-I45 VanDerWaalsContact O-CD1 3.27Å; A41-I45 WeakPolarHBondContact O-CD1 3.48Å; A41-I45 WeakPolarHBondContact O-CG1 3.49Å; A41-I45 PolarHBondContact O-N 2.93Å; R42-I45 WeakPolarHBondContact O-CB 3.45Å; R42-I45 PolarHBondContact O-N 3.12Å; I45-G49 PolarHBondContact O-N 2.85Å; I45-L73 HydrophobicContact CG1-CB 4.46Å; I45-L73 HydrophobicContact CG1-CD1 3.96Å; I45-L73 HydrophobicContact CG1-CD2 4.24Å; I45-L73 HydrophobicContact CG1-CG 4.46Å; I45-L88 HydrophobicContact CD1-CD2 3.72Å; I45-R91 HydrophobicContact CD1-CB 4.32Å; I45-R91 HydrophobicContact CG2-CB 3.78Å; I45-R91 WeakPolarHBondContact CG2-O 3.5Å; I45-V92 HydrophobicContact CD1-CG2 3.49Å; I45-V92 VanDerWaalsContact CD1-CG2 3.49Å; I45-V92 HydrophobicContact CG1-CG2 3.96Å; I45-I96 HydrophobicContact CB-CD1 4.31Å; I45-I96 HydrophobicContact CG1-CD1 4.12Å; I45-I96 HydrophobicContact CG2-CD1 4.02Å; I45-I96 HydrophobicContact CG2-CG1 4.12Å |
| 46 | I | 89.1 | Confident | 88 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.6 | -69.2 | 166.4 | 0 | 0 | 0 | 110.5 | R42 D43 V44 V48 G49 N50 | R42-I46 HydrophobicContact CG-CD1 3.8Å; R42-I46 WeakPolarHBondContact O-CG1 3.19Å; R42-I46 PolarHBondContact O-N 2.75Å; D43-I46 PolarHBondContact O-N 3.44Å; V44-I46 VanDerWaalsContact C-N 3.35Å; V44-I46 PolarHBondContact O-N 3.13Å; I46-V48 PolarHBondContact O-N 3.21Å; I46-G49 PolarHBondContact O-N 2.98Å; I46-N50 WeakPolarHBondContact CG2-ND2 2.99Å; I46-N50 VanDerWaalsContact O-CB 3.25Å; I46-N50 WeakPolarHBondContact O-CB 3.31Å; I46-N50 PolarHBondContact O-N 3.25Å; I46-N50 PolarHBondContact O-ND2 3.19Å |
| 47 | C | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 178.4 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | L7 N11 D43 V44 A51 | L7-C47 HydrophobicContact CD2-CB 4.41Å; N11-C47 HydrophobicContact CB-CB 4.34Å; D43-C47 VanDerWaalsContact O-CB 3.31Å; D43-C47 WeakPolarHBondContact O-CB 3.11Å; D43-C47 PolarHBondContact O-N 2.98Å; V44-C47 PolarHBondContact O-N 3.09Å; C47-A51 WeakPolarHBondContact O-CB 3.31Å; C47-A51 PolarHBondContact O-N 2.94Å |
| 48 | V | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L17 L26 V44 I46 A51 I52 L66 I69 I96 | L17-V48 HydrophobicContact CD2-CG2 4.16Å; L26-V48 HydrophobicContact CD2-CG2 3.73Å; V44-V48 HydrophobicContact CG1-CG2 4.25Å; V44-V48 WeakPolarHBondContact O-CG2 3.37Å; V44-V48 PolarHBondContact O-N 2.81Å; I46-V48 PolarHBondContact O-N 3.21Å; V48-A51 WeakPolarHBondContact O-CB 3.34Å; V48-A51 PolarHBondContact O-N 3.15Å; V48-I52 HydrophobicContact CG1-CD1 3.73Å; V48-I52 HydrophobicContact CG1-CG1 4.49Å; V48-I52 WeakPolarHBondContact O-CD1 3.25Å; V48-I52 VanDerWaalsContact O-CG1 3.28Å; V48-I52 WeakPolarHBondContact O-CG1 3.47Å; V48-I52 PolarHBondContact O-N 3.3Å; V48-L66 HydrophobicContact CG1-CD2 3.92Å; V48-I69 HydrophobicContact CG2-CG2 4.43Å; V48-I96 HydrophobicContact CB-CD1 4.24Å; V48-I96 HydrophobicContact CG1-CD1 3.97Å; V48-I96 HydrophobicContact CG1-CG1 4.12Å; V48-I96 HydrophobicContact CG1-CG2 4.26Å |
| 49 | G | 92.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I45 I46 S53 G95 | I45-G49 PolarHBondContact O-N 2.85Å; I46-G49 PolarHBondContact O-N 2.98Å; G49-S53 WeakPolarHBondContact O-CB 3.28Å; G49-S53 PolarHBondContact O-N 3.14Å; G49-S53 VanDerWaalsContact O-N 3.13Å; G49-S53 PolarHBondContact O-OG 3.49Å; G49-G95 WeakPolarHBondContact CA-O 3.47Å |
| 50 | N | 91.1 | Very high | 89.7 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 172.7 | -74.4 | -15.7 | 0 | 0 | 0 | 111.3 | N11 P14 I46 S53 S54 | N11-N50 PolarHBondContact OD1-ND2 2.78Å; P14-N50 HydrophobicContact CB-CB 3.93Å; P14-N50 HydrophobicContact CG-CB 3.81Å; I46-N50 WeakPolarHBondContact CG2-ND2 2.99Å; I46-N50 VanDerWaalsContact O-CB 3.25Å; I46-N50 WeakPolarHBondContact O-CB 3.31Å; I46-N50 PolarHBondContact O-N 3.25Å; I46-N50 PolarHBondContact O-ND2 3.19Å; N50-S53 PolarHBondContact O-N 3.11Å; N50-S54 VanDerWaalsContact O-CB 3.28Å; N50-S54 WeakPolarHBondContact O-CB 3.27Å; N50-S54 PolarHBondContact O-N 3.45Å; N50-S54 PolarHBondContact O-OG 3.18Å |
| 51 | A | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -52.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P14 L17 F18 C47 V48 S53 S54 C55 | P14-A51 HydrophobicContact CB-CB 4.23Å; P14-A51 WeakPolarHBondContact O-CB 3.44Å; L17-A51 HydrophobicContact CB-CB 4.01Å; L17-A51 HydrophobicContact CD2-CB 3.58Å; L17-A51 HydrophobicContact CG-CB 4.39Å; F18-A51 HydrophobicContact CE2-CB 3.84Å; F18-A51 WeakPolarHBondContact CE2-O 3.39Å; F18-A51 HydrophobicContact CZ-CB 3.9Å; C47-A51 WeakPolarHBondContact O-CB 3.31Å; C47-A51 PolarHBondContact O-N 2.94Å; V48-A51 WeakPolarHBondContact O-CB 3.34Å; V48-A51 PolarHBondContact O-N 3.15Å; A51-S53 PolarHBondContact O-N 3.45Å; A51-S54 PolarHBondContact O-N 3.12Å; A51-C55 PolarHBondContact O-N 3.18Å |
| 52 | I | 93.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.2 | -43.5 | 177.1 | -67.3 | 157.4 | 0 | 0 | 0 | 111 | V48 A59 L66 I96 P99 L100 L103 | V48-I52 HydrophobicContact CG1-CD1 3.73Å; V48-I52 HydrophobicContact CG1-CG1 4.49Å; V48-I52 WeakPolarHBondContact O-CD1 3.25Å; V48-I52 VanDerWaalsContact O-CG1 3.28Å; V48-I52 WeakPolarHBondContact O-CG1 3.47Å; V48-I52 PolarHBondContact O-N 3.3Å; I52-A59 HydrophobicContact CB-CB 4.43Å; I52-A59 HydrophobicContact CG1-CB 4.31Å; I52-A59 HydrophobicContact CG2-CB 4.33Å; I52-L66 HydrophobicContact CD1-CD2 4.23Å; I52-L66 HydrophobicContact CG1-CD1 4.19Å; I52-L66 HydrophobicContact CG1-CD2 4.1Å; I52-I96 HydrophobicContact CD1-CG2 3.9Å; I52-P99 HydrophobicContact CG2-CB 3.82Å; I52-L100 HydrophobicContact CD1-CD2 3.68Å; I52-L100 HydrophobicContact CD1-CG 3.87Å; I52-L100 HydrophobicContact CG1-CD2 3.9Å; I52-L100 HydrophobicContact CG2-CD2 4.1Å; I52-L103 HydrophobicContact CG2-CD1 4.28Å; I52-L103 HydrophobicContact CG2-CD2 4.31Å; I52-L103 HydrophobicContact CG2-CG 4.47Å |
| 53 | S | 89.7 | Confident | 90.5 | Very high | 84 Ų | 84 | 44 Ų | 44 | 59% | 0.587 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -74.7 | -23.3 | -178.4 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | G49 N50 A51 | G49-S53 WeakPolarHBondContact O-CB 3.28Å; G49-S53 PolarHBondContact O-N 3.14Å; G49-S53 VanDerWaalsContact O-N 3.13Å; G49-S53 PolarHBondContact O-OG 3.49Å; N50-S53 PolarHBondContact O-N 3.11Å; A51-S53 PolarHBondContact O-N 3.45Å |
| 54 | S | 89.1 | Confident | 90.8 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -91.8 | -29.1 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | N50 A51 | N50-S54 VanDerWaalsContact O-CB 3.28Å; N50-S54 WeakPolarHBondContact O-CB 3.27Å; N50-S54 PolarHBondContact O-N 3.45Å; N50-S54 PolarHBondContact O-OG 3.18Å; A51-S54 PolarHBondContact O-N 3.12Å |
| 55 | C | 90 | Very high | 91 | Very high | 27 Ų | 27 | 48 Ų | 48 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -139 | 69.8 | -175.8 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | S15 F18 A51 D57 N58 A59 | S15-C55 WeakPolarHBondContact CB-SG 3.29Å; F18-C55 HydrophobicContact CD2-CB 3.77Å; F18-C55 HydrophobicContact CE2-CB 3.85Å; A51-C55 PolarHBondContact O-N 3.18Å; C55-D57 VanDerWaalsContact C-N 3.32Å; C55-D57 PolarHBondContact O-N 3.33Å; C55-N58 HydrophobicContact CB-CB 4.14Å; C55-N58 PolarHBondContact O-N 2.69Å; C55-A59 PolarHBondContact O-N 3.4Å | ||
| 56 | P | 90.3 | Very high | 91.2 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | -172.7 | 23.5 | -34.6 | 0 | 0 | 0 | 113.7 | A59 L60 L103 | P56-A59 PolarHBondContact O-N 3.18Å; P56-L60 WeakPolarHBondContact O-CB 3.43Å; P56-L60 PolarHBondContact O-N 2.86Å; P56-L103 HydrophobicContact CB-CD2 3.48Å; P56-L103 VanDerWaalsContact CB-CD2 3.48Å |
| 57 | D | 89.8 | Confident | 91.4 | Very high | 114 Ų | 114 | 46 Ų | 46 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 178.8 | -58.6 | -57.7 | 0 | 0 | 0 | 112.3 | C55 L60 Q61 | C55-D57 VanDerWaalsContact C-N 3.32Å; C55-D57 PolarHBondContact O-N 3.33Å; D57-L60 PolarHBondContact O-N 3.01Å; D57-Q61 WeakPolarHBondContact O-CG 3.43Å; D57-Q61 PolarHBondContact O-N 3.16Å |
| 58 | N | 89.3 | Confident | 91.6 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 175.5 | -66.7 | -6.3 | 0 | 0 | 0 | 110.9 | F18 C55 L60 Q61 Q62 | F18-N58 HydrophobicContact CB-CB 3.83Å; F18-N58 HydrophobicContact CD1-CB 4.46Å; F18-N58 HydrophobicContact CD2-CB 3.63Å; F18-N58 HydrophobicContact CE2-CB 4.29Å; F18-N58 HydrophobicContact CG-CB 3.72Å; C55-N58 HydrophobicContact CB-CB 4.14Å; C55-N58 PolarHBondContact O-N 2.69Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 2.8Å; N58-Q61 PolarHBondContact O-N 3.03Å; N58-Q62 PolarHBondContact O-N 3.2Å |
| 59 | A | 90.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F18 I52 C55 P56 K63 L66 L103 | F18-A59 HydrophobicContact CE1-CB 4.32Å; F18-A59 HydrophobicContact CE2-CB 4.22Å; F18-A59 HydrophobicContact CZ-CB 3.69Å; I52-A59 HydrophobicContact CB-CB 4.43Å; I52-A59 HydrophobicContact CG1-CB 4.31Å; I52-A59 HydrophobicContact CG2-CB 4.33Å; C55-A59 PolarHBondContact O-N 3.4Å; P56-A59 PolarHBondContact O-N 3.18Å; A59-K63 WeakPolarHBondContact O-CA 3.47Å; A59-K63 PolarHBondContact O-N 2.78Å; A59-K63 VanDerWaalsContact O-N 3.12Å; A59-L66 HydrophobicContact CB-CD1 3.76Å; A59-L66 WeakPolarHBondContact O-CD1 3.49Å; A59-L103 HydrophobicContact CB-CD1 3.73Å |
| 60 | L | 90.6 | Very high | 91.7 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.5 | -38.5 | 173.7 | -174.1 | 61.5 | 0 | 0 | 0 | 112 | P56 D57 N58 K63 T107 | P56-L60 WeakPolarHBondContact O-CB 3.43Å; P56-L60 PolarHBondContact O-N 2.86Å; D57-L60 PolarHBondContact O-N 3.01Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 2.8Å; L60-K63 WeakPolarHBondContact O-CB 3.46Å; L60-K63 WeakPolarHBondContact O-CG 3.15Å; L60-T107 VanDerWaalsContact CD1-OG1 3.29Å; L60-T107 WeakPolarHBondContact CD1-OG1 3.42Å |
| 61 | Q | 91.2 | Very high | 91.8 | Very high | 150 Ų | 150 | 47.1 Ų | 47.1 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 174.8 | -71.6 | 172.6 | 39.7 | 0 | 0 | 112.7 | D57 N58 | D57-Q61 WeakPolarHBondContact O-CG 3.43Å; D57-Q61 PolarHBondContact O-N 3.16Å; N58-Q61 PolarHBondContact O-N 3.03Å |
| 62 | Q | 91.2 | Very high | 91.7 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 22.2 | -178.9 | -59 | -175.2 | 15.2 | 0 | 0 | 112.7 | F18 L23 N58 D64 L65 L66 | F18-Q62 PolarHBondContact O-NE2 2.94Å; L23-Q62 HydrophobicContact CD2-CB 3.94Å; L23-Q62 VanDerWaalsContact CD2-OE1 3.26Å; N58-Q62 PolarHBondContact O-N 3.2Å; Q62-D64 VanDerWaalsContact C-N 3.29Å; Q62-D64 PolarHBondContact O-N 2.59Å; Q62-L65 PolarHBondContact O-N 3.17Å; Q62-L66 PolarHBondContact O-N 3.11Å |
| 63 | K | 92.6 | Very high | 91.6 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.2 | -38.2 | -172 | 68.9 | 166.8 | -159.1 | 168.5 | 0 | 113.9 | A59 L60 L66 L67 D110 | A59-K63 WeakPolarHBondContact O-CA 3.47Å; A59-K63 PolarHBondContact O-N 2.78Å; A59-K63 VanDerWaalsContact O-N 3.12Å; L60-K63 WeakPolarHBondContact O-CB 3.46Å; L60-K63 WeakPolarHBondContact O-CG 3.15Å; K63-L66 PolarHBondContact O-N 3.17Å; K63-L67 WeakPolarHBondContact O-CB 3.17Å; K63-L67 VanDerWaalsContact O-CG 3.23Å; K63-L67 WeakPolarHBondContact O-CG 3.42Å; K63-L67 PolarHBondContact O-N 3.3Å; K63-D110 IonicContact NZ-OD1 2.69Å; K63-D110 IonicContact NZ-OD2 3.17Å; K63-D110 PolarHBondContact NZ-OD2 2.91Å |
| 64 | D | 92.7 | Very high | 91.7 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -75.1 | -31.7 | -173.9 | -59.7 | -37.2 | 0 | 0 | 0 | 111.6 | Q62 S68 | Q62-D64 VanDerWaalsContact C-N 3.29Å; Q62-D64 PolarHBondContact O-N 2.59Å; D64-S68 WeakPolarHBondContact O-CB 3.48Å; D64-S68 PolarHBondContact O-N 2.82Å; D64-S68 VanDerWaalsContact O-N 3.12Å; D64-S68 PolarHBondContact O-OG 2.92Å |
| 65 | L | 93.1 | Very high | 91.7 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.9 | -44.2 | 172 | -179.9 | 51.3 | 0 | 0 | 0 | 110.5 | L23 L24 L27 Q62 L67 S68 I69 | L23-L65 HydrophobicContact CB-CD2 4.05Å; L23-L65 HydrophobicContact CD2-CB 4.13Å; L23-L65 HydrophobicContact CD2-CD2 3.75Å; L23-L65 HydrophobicContact CD2-CG 3.67Å; L23-L65 HydrophobicContact CG-CD2 3.88Å; L23-L65 HydrophobicContact CG-CG 3.88Å; L24-L65 HydrophobicContact CB-CD2 4.18Å; L24-L65 HydrophobicContact CD1-CD1 4.14Å; L24-L65 HydrophobicContact CD1-CD2 4.36Å; L27-L65 HydrophobicContact CB-CD1 3.82Å; L27-L65 HydrophobicContact CD2-CD1 3.46Å; L27-L65 VanDerWaalsContact CD2-CD1 3.46Å; L27-L65 HydrophobicContact CG-CD1 4.17Å; Q62-L65 PolarHBondContact O-N 3.17Å; L65-L67 PolarHBondContact O-N 3.17Å; L65-S68 WeakPolarHBondContact O-CB 3.43Å; L65-S68 PolarHBondContact O-N 3.19Å; L65-I69 HydrophobicContact CD1-CD1 4.44Å; L65-I69 HydrophobicContact CG-CD1 4.47Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 3.1Å |
| 66 | L | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 171.3 | -76.3 | 165.6 | 0 | 0 | 0 | 112.2 | F18 L23 V48 I52 A59 Q62 K63 S68 I69 S70 L100 | F18-L66 HydrophobicContact CE1-CD1 3.9Å; F18-L66 HydrophobicContact CE1-CD2 4.16Å; F18-L66 HydrophobicContact CE1-CG 4.31Å; F18-L66 HydrophobicContact CZ-CD1 4.26Å; L23-L66 HydrophobicContact CD1-CD2 3.93Å; L23-L66 HydrophobicContact CD2-CD2 4.08Å; L23-L66 HydrophobicContact CD2-CG 3.9Å; V48-L66 HydrophobicContact CG1-CD2 3.92Å; I52-L66 HydrophobicContact CD1-CD2 4.23Å; I52-L66 HydrophobicContact CG1-CD1 4.19Å; I52-L66 HydrophobicContact CG1-CD2 4.1Å; A59-L66 HydrophobicContact CB-CD1 3.76Å; A59-L66 WeakPolarHBondContact O-CD1 3.49Å; Q62-L66 PolarHBondContact O-N 3.11Å; K63-L66 PolarHBondContact O-N 3.17Å; L66-S68 PolarHBondContact O-N 3.26Å; L66-I69 PolarHBondContact O-N 2.82Å; L66-S70 WeakPolarHBondContact O-CB 3.28Å; L66-S70 PolarHBondContact O-N 3.49Å; L66-S70 PolarHBondContact O-OG 3.15Å; L66-L100 HydrophobicContact CB-CD2 4.24Å; L66-L100 HydrophobicContact CD1-CD2 3.94Å |
| 67 | L | 94.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -23.3 | 175.3 | -76.8 | 170.4 | 0 | 0 | 0 | 112.9 | K63 L65 E71 D110 V111 K114 F115 | K63-L67 WeakPolarHBondContact O-CB 3.17Å; K63-L67 VanDerWaalsContact O-CG 3.23Å; K63-L67 WeakPolarHBondContact O-CG 3.42Å; K63-L67 PolarHBondContact O-N 3.3Å; L65-L67 PolarHBondContact O-N 3.17Å; L67-E71 PolarHBondContact O-N 3.43Å; L67-D110 HydrophobicContact CD1-CB 4.02Å; L67-V111 HydrophobicContact CD2-CB 4.44Å; L67-V111 HydrophobicContact CD2-CG2 3.72Å; L67-K114 HydrophobicContact CB-CD 4.12Å; L67-K114 PolarHBondContact O-NZ 3.16Å; L67-F115 HydrophobicContact CD2-CE2 3.94Å |
| 68 | S | 94.2 | Very high | 91 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -82.2 | -43.5 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | D64 L65 L66 E71 L72 | D64-S68 WeakPolarHBondContact O-CB 3.48Å; D64-S68 PolarHBondContact O-N 2.82Å; D64-S68 VanDerWaalsContact O-N 3.12Å; D64-S68 PolarHBondContact O-OG 2.92Å; L65-S68 WeakPolarHBondContact O-CB 3.43Å; L65-S68 PolarHBondContact O-N 3.19Å; L66-S68 PolarHBondContact O-N 3.26Å; S68-E71 PolarHBondContact O-N 2.95Å; S68-L72 PolarHBondContact O-N 3.3Å |
| 69 | I | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 170.5 | -63.1 | 166.1 | 0 | 0 | 0 | 110.2 | L23 L27 V48 L65 L66 E71 L72 L73 | L23-I69 HydrophobicContact CD1-CD1 3.44Å; L23-I69 VanDerWaalsContact CD1-CD1 3.44Å; L23-I69 HydrophobicContact CD2-CD1 4.49Å; L23-I69 HydrophobicContact CG-CD1 3.66Å; L23-I69 WeakPolarHBondContact O-CD1 3.19Å; L27-I69 HydrophobicContact CB-CD1 4.17Å; L27-I69 HydrophobicContact CB-CG1 3.78Å; L27-I69 HydrophobicContact CD1-CG1 3.76Å; L27-I69 HydrophobicContact CG-CG1 4.35Å; V48-I69 HydrophobicContact CG2-CG2 4.43Å; L65-I69 HydrophobicContact CD1-CD1 4.44Å; L65-I69 HydrophobicContact CG-CD1 4.47Å; L65-I69 WeakPolarHBondContact O-CG1 3.37Å; L65-I69 PolarHBondContact O-N 3.1Å; L66-I69 PolarHBondContact O-N 2.82Å; I69-E71 PolarHBondContact O-N 3.38Å; I69-L72 PolarHBondContact O-N 3.37Å; I69-L72 VanDerWaalsContact O-N 3.13Å; I69-L73 HydrophobicContact CG2-CD1 3.69Å; I69-L73 HydrophobicContact CG2-CG 4.2Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 2.84Å |
| 70 | S | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.9 | -37.4 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | L66 F74 I96 | L66-S70 WeakPolarHBondContact O-CB 3.28Å; L66-S70 PolarHBondContact O-N 3.49Å; L66-S70 PolarHBondContact O-OG 3.15Å; S70-F74 WeakPolarHBondContact O-CB 3.25Å; S70-F74 PolarHBondContact O-N 2.9Å; S70-I96 VanDerWaalsContact OG-CG2 3.3Å; S70-I96 WeakPolarHBondContact OG-CG2 3.34Å |
| 71 | E | 92.9 | Very high | 88.2 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 179.8 | 176.9 | 166.5 | -159.1 | 0 | 0 | 112.9 | L67 S68 I69 K75 K114 F115 R118 | L67-E71 PolarHBondContact O-N 3.43Å; S68-E71 PolarHBondContact O-N 2.95Å; I69-E71 PolarHBondContact O-N 3.38Å; E71-K75 WeakPolarHBondContact O-CB 3.23Å; E71-K75 PolarHBondContact O-N 2.91Å; E71-K114 WeakPolarHBondContact OE2-CE 3.33Å; E71-K114 IonicContact OE2-NZ 3.38Å; E71-K114 PolarHBondContact OE2-NZ 3.21Å; E71-F115 HydrophobicContact CB-CE1 3.71Å; E71-F115 HydrophobicContact CB-CZ 3.89Å; E71-F115 HydrophobicContact CG-CE1 4.11Å; E71-R118 IonicContact OE1-CZ 2.66Å; E71-R118 IonicContact OE1-NH1 2.84Å; E71-R118 PolarHBondContact OE1-NH1 2.93Å; E71-R118 IonicContact OE1-NH2 2.79Å; E71-R118 PolarHBondContact OE1-NH2 3.25Å |
| 72 | L | 90.7 | Very high | 86.6 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 178.6 | -63.6 | 170 | 0 | 0 | 0 | 111.3 | L27 V30 Q31 S68 I69 R76 | L27-L72 HydrophobicContact CD1-CD1 3.62Å; V30-L72 HydrophobicContact CG1-CB 3.8Å; V30-L72 HydrophobicContact CG1-CD1 4.06Å; Q31-L72 HydrophobicContact CG-CD1 3.45Å; Q31-L72 VanDerWaalsContact CG-CD1 3.45Å; S68-L72 PolarHBondContact O-N 3.3Å; I69-L72 PolarHBondContact O-N 3.37Å; I69-L72 VanDerWaalsContact O-N 3.13Å; L72-R76 PolarHBondContact O-N 3.5Å; L72-R76 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 91.4 | Very high | 84.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -45.6 | 174.1 | -65.7 | 173.9 | 0 | 0 | 0 | 111.1 | V30 L36 V44 I45 I69 R76 S77 V92 I96 | V30-L73 HydrophobicContact CG1-CD2 4.23Å; V30-L73 HydrophobicContact CG1-CG 4.47Å; L36-L73 HydrophobicContact CD2-CD2 4.24Å; V44-L73 HydrophobicContact CB-CD2 4.38Å; V44-L73 HydrophobicContact CG1-CD1 3.89Å; V44-L73 HydrophobicContact CG1-CD2 3.85Å; V44-L73 HydrophobicContact CG1-CG 4.45Å; I45-L73 HydrophobicContact CG1-CB 4.46Å; I45-L73 HydrophobicContact CG1-CD1 3.96Å; I45-L73 HydrophobicContact CG1-CD2 4.24Å; I45-L73 HydrophobicContact CG1-CG 4.46Å; I69-L73 HydrophobicContact CG2-CD1 3.69Å; I69-L73 HydrophobicContact CG2-CG 4.2Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 2.84Å; L73-R76 PolarHBondContact O-N 2.99Å; L73-S77 WeakPolarHBondContact O-CB 3.46Å; L73-S77 PolarHBondContact O-N 2.93Å; L73-S77 PolarHBondContact O-OG 3.26Å; L73-V92 HydrophobicContact CB-CG2 4.1Å; L73-I96 HydrophobicContact CD1-CD1 3.63Å |
| 74 | F | 92.3 | Very high | 82.7 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.8 | -177.1 | -100.4 | 0 | 0 | 0 | 111.8 | S70 S77 C78 L89 V92 L93 F97 F115 R118 M119 I122 | S70-F74 WeakPolarHBondContact O-CB 3.25Å; S70-F74 PolarHBondContact O-N 2.9Å; F74-S77 WeakPolarHBondContact CA-OG 3.38Å; F74-S77 PolarHBondContact O-N 2.86Å; F74-S77 PolarHBondContact O-OG 2.97Å; F74-C78 PolarHBondContact O-N 2.97Å; F74-C78 PolarHBondContact O-SG 2.93Å; F74-C78 VanDerWaalsContact O-SG 3.35Å; F74-L89 HydrophobicContact CD2-CD1 4.12Å; F74-L89 HydrophobicContact CE2-CD1 3.63Å; F74-L89 HydrophobicContact CZ-CD1 4.41Å; F74-V92 HydrophobicContact CB-CG1 4.05Å; F74-V92 HydrophobicContact CD2-CG1 4.13Å; F74-L93 HydrophobicContact CE2-CD2 4.31Å; F74-F97 HydrophobicContact CB-CE1 4.25Å; F74-F97 HydrophobicContact CB-CZ 3.74Å; F74-F97 HydrophobicContact CD2-CE1 4.37Å; F74-F97 AromaticContact CD2-CE2 3.73Å; F74-F97 HydrophobicContact CD2-CE2 3.73Å; F74-F97 AromaticContact CD2-CZ 3.48Å; F74-F97 HydrophobicContact CD2-CZ 3.48Å; F74-F97 VanDerWaalsContact CD2-CZ 3.48Å; F74-F97 HydrophobicContact CE2-CE2 4.01Å; F74-F97 HydrophobicContact CE2-CZ 4.22Å; F74-F97 HydrophobicContact CG-CE2 4.27Å; F74-F97 AromaticContact CG-CZ 3.69Å; F74-F97 HydrophobicContact CG-CZ 3.69Å; F74-F115 HydrophobicContact CD1-CD1 4.41Å; F74-R118 HydrophobicContact CE1-CB 3.88Å; F74-M119 HydrophobicContact CE2-CG 4.13Å; F74-M119 HydrophobicContact CZ-CG 3.77Å; F74-I122 HydrophobicContact CE1-CD1 4.3Å; F74-I122 HydrophobicContact CE2-CD1 4.49Å; F74-I122 HydrophobicContact CZ-CD1 3.68Å |
| 75 | K | 88.2 | Confident | 80.6 | Confident | 131 Ų | 131 | 49.5 Ų | 49.5 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -55.4 | -57.9 | 176.2 | -175.9 | -172.5 | 169.2 | -169.4 | 0 | 110.8 | E71 S77 C78 | E71-K75 WeakPolarHBondContact O-CB 3.23Å; E71-K75 PolarHBondContact O-N 2.91Å; K75-S77 PolarHBondContact O-N 3.11Å; K75-C78 WeakPolarHBondContact O-CB 3.47Å; K75-C78 PolarHBondContact O-N 3.11Å; K75-C78 VanDerWaalsContact O-N 3.08Å |
| 76 | R | 85.3 | Confident | 79.2 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.1 | -38 | 179.3 | -70.4 | -168.4 | -176.1 | 90.4 | -4.5 | 112.1 | V30 S33 L72 L73 C78 D79 F80 | V30-R76 VanDerWaalsContact O-CZ 3.23Å; V30-R76 PolarHBondContact O-NH1 3.2Å; V30-R76 PolarHBondContact O-NH2 2.94Å; S33-R76 PolarHBondContact O-NE 3Å; S33-R76 PolarHBondContact O-NH2 3.46Å; L72-R76 PolarHBondContact O-N 3.5Å; L72-R76 VanDerWaalsContact O-N 3.1Å; L73-R76 PolarHBondContact O-N 2.99Å; R76-C78 PolarHBondContact O-N 3.18Å; R76-C78 VanDerWaalsContact O-N 3.14Å; R76-D79 WeakPolarHBondContact O-CB 3.23Å; R76-D79 PolarHBondContact O-N 3.45Å; R76-F80 HydrophobicContact CB-CE2 4.37Å; R76-F80 WeakPolarHBondContact O-CD2 3.43Å; R76-F80 PolarHBondContact O-N 2.9Å |
| 77 | S | 87.3 | Confident | 78.4 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -20.7 | 180 | 79.9 | 0 | 0 | 0 | 0 | 114.6 | L73 F74 K75 | L73-S77 WeakPolarHBondContact O-CB 3.46Å; L73-S77 PolarHBondContact O-N 2.93Å; L73-S77 PolarHBondContact O-OG 3.26Å; F74-S77 WeakPolarHBondContact CA-OG 3.38Å; F74-S77 PolarHBondContact O-N 2.86Å; F74-S77 PolarHBondContact O-OG 2.97Å; K75-S77 PolarHBondContact O-N 3.11Å |
| 78 | C | 81.9 | Confident | 78.1 | Confident | 56 Ų | 56 | 52 Ų | 52 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -84.8 | -23.7 | 172.6 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | F74 K75 R76 | F74-C78 PolarHBondContact O-N 2.97Å; F74-C78 PolarHBondContact O-SG 2.93Å; F74-C78 VanDerWaalsContact O-SG 3.35Å; K75-C78 WeakPolarHBondContact O-CB 3.47Å; K75-C78 PolarHBondContact O-N 3.11Å; K75-C78 VanDerWaalsContact O-N 3.08Å; R76-C78 PolarHBondContact O-N 3.18Å; R76-C78 VanDerWaalsContact O-N 3.14Å |
| 79 | D | 76.4 | Confident | 77.9 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -79.9 | -26.9 | 179.7 | -58.9 | -44.3 | 0 | 0 | 0 | 111.5 | R76 K81 | R76-D79 WeakPolarHBondContact O-CB 3.23Å; R76-D79 PolarHBondContact O-N 3.45Å; D79-K81 PolarHBondContact O-N 2.82Å |
| 80 | F | 74.1 | Confident | 77.8 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | trans | -72.2 | 104.1 | 176.4 | -78.5 | -75.5 | 0 | 0 | 0 | 113.3 | L36 Y38 A41 R76 E82 L88 | L36-F80 WeakPolarHBondContact O-CZ 3.44Å; Y38-F80 HydrophobicContact CD2-CD1 4.39Å; A41-F80 HydrophobicContact CB-CE2 4.49Å; R76-F80 HydrophobicContact CB-CE2 4.37Å; R76-F80 WeakPolarHBondContact O-CD2 3.43Å; R76-F80 PolarHBondContact O-N 2.9Å; F80-E82 HydrophobicContact CD1-CG 4.49Å; F80-E82 PolarHBondContact O-N 3.39Å; F80-L88 HydrophobicContact CB-CD1 4.09Å; F80-L88 HydrophobicContact CD1-CD1 4.15Å; F80-L88 HydrophobicContact CD2-CD1 3.28Å; F80-L88 HydrophobicContact CE1-CD1 4.45Å; F80-L88 HydrophobicContact CE2-CD1 3.65Å; F80-L88 HydrophobicContact CG-CD1 3.58Å; F80-L88 HydrophobicContact CZ-CD1 4.22Å | ||
| 81 | K | 62.7 | Low | 77.7 | Confident | 208 Ų | 208 | 55.8 Ų | 55.8 | 90% | 0.904 | 28% | 0.279 | S | S | * | . | trans | -85.1 | 19.1 | 172.8 | -60 | -176.6 | -179.8 | -179.5 | 0 | 113.8 | D79 S83 | D79-K81 PolarHBondContact O-N 2.82Å; K81-S83 PolarHBondContact O-N 3.29Å | ||
| 82 | E | 56.3 | Low | 77.7 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | trans | -73.2 | 124.9 | -171.5 | -77.7 | -164.7 | -179 | 0 | 0 | 113 | Y38 F80 S84 | Y38-E82 HydrophobicContact CD2-CB 4.29Å; Y38-E82 WeakPolarHBondContact CD2-OE2 3.45Å; Y38-E82 HydrophobicContact CE2-CB 4.45Å; F80-E82 HydrophobicContact CD1-CG 4.49Å; F80-E82 PolarHBondContact O-N 3.39Å; E82-S84 PolarHBondContact O-N 2.64Å; E82-S84 PolarHBondContact O-OG 3.01Å | ||
| 83 | S | 48.7 | Very low | 77.9 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | trans | -67.7 | 84.1 | 171.1 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | K81 F959 | K81-S83 PolarHBondContact O-N 3.29Å; S83-F959 WeakPolarHBondContact O-CE1 3.42Å | ||
| 84 | S | 52.7 | Low | 77.9 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | trans | -130.7 | 141.4 | 179.8 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | Y38 E82 E86 | Y38-S84 WeakPolarHBondContact CE2-OG 3.42Å; Y38-S84 WeakPolarHBondContact OH-CB 3.4Å; Y38-S84 PolarHBondContact OH-OG 3.38Å; Y38-S84 VanDerWaalsContact OH-OG 3.13Å; E82-S84 PolarHBondContact O-N 2.64Å; E82-S84 PolarHBondContact O-OG 3.01Å; S84-E86 PolarHBondContact O-N 3.05Å; S84-E86 PolarHBondContact OG-O 2.98Å | ||
| 85 | S | 50.1 | Low | 77.9 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -68.3 | -5.4 | -169.9 | 78.8 | 0 | 0 | 0 | 0 | 115.4 | R955 | S85-R955 PolarHBondContact O-NH2 2.96Å; S85-R955 WeakPolarHBondContact OG-CD 3.33Å; S85-R955 WeakPolarHBondContact OG-CG 3.47Å; S85-R955 PolarHBondContact OG-NE 3.17Å |
| 86 | E | 63.1 | Low | 78.2 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -141.3 | 111.6 | 165.3 | -66.9 | -175.7 | 146.8 | 0 | 0 | 106.9 | Y38 S84 R91 | Y38-E86 PolarHBondContact OH-O 3.46Å; Y38-E86 VanDerWaalsContact OH-O 3.12Å; S84-E86 PolarHBondContact O-N 3.05Å; S84-E86 PolarHBondContact OG-O 2.98Å; E86-R91 IonicContact OE2-CZ 2.61Å; E86-R91 IonicContact OE2-NH1 3.15Å; E86-R91 PolarHBondContact OE2-NH1 3.16Å; E86-R91 IonicContact OE2-NH2 2.72Å; E86-R91 PolarHBondContact OE2-NH2 3.35Å |
| 87 | T | 78.5 | Confident | 78.7 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | trans | -64.3 | 152.2 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | L89 K90 R91 | T87-L89 PolarHBondContact O-N 3.46Å; T87-K90 WeakPolarHBondContact O-CB 3.5Å; T87-K90 PolarHBondContact O-N 2.93Å; T87-K90 VanDerWaalsContact O-N 3.15Å; T87-K90 WeakPolarHBondContact OG1-CB 3.46Å; T87-K90 PolarHBondContact OG1-N 3.12Å; T87-R91 PolarHBondContact O-N 2.83Å | ||
| 88 | L | 87 | Confident | 79 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 171.5 | -81 | 166.3 | 0 | 0 | 0 | 111.4 | Y38 A41 R42 I45 F80 K90 R91 V92 | Y38-L88 HydrophobicContact CD2-CD1 3.37Å; Y38-L88 HydrophobicContact CD2-CG 3.78Å; Y38-L88 HydrophobicContact CE2-CD1 3.81Å; Y38-L88 HydrophobicContact CE2-CD2 4.49Å; Y38-L88 HydrophobicContact CE2-CG 3.65Å; Y38-L88 HydrophobicContact CG-CD1 3.97Å; Y38-L88 HydrophobicContact CG-CG 4.5Å; A41-L88 HydrophobicContact CB-CD1 4.2Å; A41-L88 HydrophobicContact CB-CD2 4.14Å; R42-L88 HydrophobicContact CB-CD2 3.93Å; I45-L88 HydrophobicContact CD1-CD2 3.72Å; F80-L88 HydrophobicContact CB-CD1 4.09Å; F80-L88 HydrophobicContact CD1-CD1 4.15Å; F80-L88 HydrophobicContact CD2-CD1 3.28Å; F80-L88 HydrophobicContact CE1-CD1 4.45Å; F80-L88 HydrophobicContact CE2-CD1 3.65Å; F80-L88 HydrophobicContact CG-CD1 3.58Å; F80-L88 HydrophobicContact CZ-CD1 4.22Å; L88-K90 PolarHBondContact O-N 3.37Å; L88-R91 WeakPolarHBondContact O-CB 3.29Å; L88-R91 PolarHBondContact O-N 3.14Å; L88-R91 VanDerWaalsContact O-N 3.12Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.8Å |
| 89 | L | 90.3 | Very high | 79.6 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.6 | -50.6 | 173.3 | 177.4 | 60.1 | 0 | 0 | 0 | 111 | F74 T87 R91 V92 L93 V136 | F74-L89 HydrophobicContact CD2-CD1 4.12Å; F74-L89 HydrophobicContact CE2-CD1 3.63Å; F74-L89 HydrophobicContact CZ-CD1 4.41Å; T87-L89 PolarHBondContact O-N 3.46Å; L89-R91 VanDerWaalsContact C-N 3.3Å; L89-R91 PolarHBondContact O-N 3.36Å; L89-V92 PolarHBondContact O-N 3.31Å; L89-L93 HydrophobicContact CD1-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CG 4.23Å; L89-L93 HydrophobicContact CG-CD1 3.91Å; L89-L93 WeakPolarHBondContact O-CB 3.42Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 2.67Å; L89-V136 HydrophobicContact CD1-CG2 4.37Å; L89-V136 HydrophobicContact CD2-CG2 4.1Å; L89-V136 HydrophobicContact CG-CG2 4.47Å |
| 90 | K | 90.1 | Very high | 80.4 | Confident | 58 Ų | 58 | 41 Ų | 41 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.3 | -39.6 | 175.3 | -165.1 | 177.6 | -164.3 | -59 | 0 | 112.2 | T87 L88 L93 D94 D135 | T87-K90 WeakPolarHBondContact O-CB 3.5Å; T87-K90 PolarHBondContact O-N 2.93Å; T87-K90 VanDerWaalsContact O-N 3.15Å; T87-K90 WeakPolarHBondContact OG1-CB 3.46Å; T87-K90 PolarHBondContact OG1-N 3.12Å; L88-K90 PolarHBondContact O-N 3.37Å; K90-L93 PolarHBondContact O-N 2.74Å; K90-D94 IonicContact NZ-OD2 2.65Å; K90-D94 PolarHBondContact NZ-OD2 3.37Å; K90-D94 WeakPolarHBondContact O-CB 3.3Å; K90-D94 PolarHBondContact O-N 2.97Å; K90-D135 HydrophobicContact CB-CB 4.45Å; K90-D135 WeakPolarHBondContact CB-OD2 3.25Å; K90-D135 WeakPolarHBondContact CD-OD1 3.32Å; K90-D135 WeakPolarHBondContact CE-OD1 3.33Å; K90-D135 HydrophobicContact CG-CB 4.35Å |
| 91 | R | 91.1 | Very high | 81.3 | Confident | 52 Ų | 52 | 38.7 Ų | 38.7 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.9 | -62.9 | -167.2 | -176.2 | -64.8 | -10.4 | 112.7 | I45 E86 T87 L88 L89 G95 | I45-R91 HydrophobicContact CD1-CB 4.32Å; I45-R91 HydrophobicContact CG2-CB 3.78Å; I45-R91 WeakPolarHBondContact CG2-O 3.5Å; E86-R91 IonicContact OE2-CZ 2.61Å; E86-R91 IonicContact OE2-NH1 3.15Å; E86-R91 PolarHBondContact OE2-NH1 3.16Å; E86-R91 IonicContact OE2-NH2 2.72Å; E86-R91 PolarHBondContact OE2-NH2 3.35Å; T87-R91 PolarHBondContact O-N 2.83Å; L88-R91 WeakPolarHBondContact O-CB 3.29Å; L88-R91 PolarHBondContact O-N 3.14Å; L88-R91 VanDerWaalsContact O-N 3.12Å; L89-R91 VanDerWaalsContact C-N 3.3Å; L89-R91 PolarHBondContact O-N 3.36Å; R91-G95 WeakPolarHBondContact O-CA 3.45Å; R91-G95 PolarHBondContact O-N 2.96Å |
| 92 | V | 94 | Very high | 82.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110.6 | I45 L73 F74 L88 L89 I96 F97 | I45-V92 HydrophobicContact CD1-CG2 3.49Å; I45-V92 VanDerWaalsContact CD1-CG2 3.49Å; I45-V92 HydrophobicContact CG1-CG2 3.96Å; L73-V92 HydrophobicContact CB-CG2 4.1Å; F74-V92 HydrophobicContact CB-CG1 4.05Å; F74-V92 HydrophobicContact CD2-CG1 4.13Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.8Å; L89-V92 PolarHBondContact O-N 3.31Å; V92-I96 WeakPolarHBondContact O-CA 3.34Å; V92-I96 WeakPolarHBondContact O-CB 3.49Å; V92-I96 PolarHBondContact O-N 3.48Å; V92-F97 HydrophobicContact CG1-CD1 3.76Å; V92-F97 HydrophobicContact CG1-CE1 3.38Å; V92-F97 HydrophobicContact CG1-CZ 3.99Å; V92-F97 PolarHBondContact O-N 3.02Å |
| 93 | L | 94.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -67.5 | -59.2 | -177.9 | -68.5 | 169 | 0 | 0 | 0 | 112.6 | F74 L89 K90 F97 V98 M119 D135 V136 S139 | F74-L93 HydrophobicContact CE2-CD2 4.31Å; L89-L93 HydrophobicContact CD1-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CG 4.23Å; L89-L93 HydrophobicContact CG-CD1 3.91Å; L89-L93 WeakPolarHBondContact O-CB 3.42Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 2.67Å; K90-L93 PolarHBondContact O-N 2.74Å; L93-F97 HydrophobicContact CD2-CD2 3.81Å; L93-F97 HydrophobicContact CD2-CE2 4.23Å; L93-F97 HydrophobicContact CD2-CG 4.42Å; L93-F97 PolarHBondContact O-N 2.91Å; L93-V98 WeakPolarHBondContact O-CG2 3.48Å; L93-V98 PolarHBondContact O-N 3.26Å; L93-M119 HydrophobicContact CD2-SD 3.84Å; L93-D135 HydrophobicContact CD1-CB 4.17Å; L93-V136 HydrophobicContact CD1-CB 4.47Å; L93-V136 HydrophobicContact CD1-CG2 3.8Å; L93-S139 WeakPolarHBondContact CB-OG 3.23Å |
| 94 | D | 91.2 | Very high | 86.5 | Confident | 73 Ų | 73 | 31.3 Ų | 31.3 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -73.4 | -32.2 | -178.6 | -76.2 | -33.9 | 0 | 0 | 0 | 113 | K90 P99 | K90-D94 IonicContact NZ-OD2 2.65Å; K90-D94 PolarHBondContact NZ-OD2 3.37Å; K90-D94 WeakPolarHBondContact O-CB 3.3Å; K90-D94 PolarHBondContact O-N 2.97Å; D94-P99 WeakPolarHBondContact O-CD 3.17Å; D94-P99 WeakPolarHBondContact O-CG 3.41Å |
| 95 | G | 91.5 | Very high | 88.4 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 26% | 0.258 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -91.7 | -23 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G49 R91 | G49-G95 WeakPolarHBondContact CA-O 3.47Å; R91-G95 WeakPolarHBondContact O-CA 3.45Å; R91-G95 PolarHBondContact O-N 2.96Å |
| 96 | I | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -124.6 | -58.2 | 179.9 | -54 | 176.9 | 0 | 0 | 0 | 111.3 | I45 V48 I52 S70 L73 V92 P99 L100 | I45-I96 HydrophobicContact CB-CD1 4.31Å; I45-I96 HydrophobicContact CG1-CD1 4.12Å; I45-I96 HydrophobicContact CG2-CD1 4.02Å; I45-I96 HydrophobicContact CG2-CG1 4.12Å; V48-I96 HydrophobicContact CB-CD1 4.24Å; V48-I96 HydrophobicContact CG1-CD1 3.97Å; V48-I96 HydrophobicContact CG1-CG1 4.12Å; V48-I96 HydrophobicContact CG1-CG2 4.26Å; I52-I96 HydrophobicContact CD1-CG2 3.9Å; S70-I96 VanDerWaalsContact OG-CG2 3.3Å; S70-I96 WeakPolarHBondContact OG-CG2 3.34Å; L73-I96 HydrophobicContact CD1-CD1 3.63Å; V92-I96 WeakPolarHBondContact O-CA 3.34Å; V92-I96 WeakPolarHBondContact O-CB 3.49Å; V92-I96 PolarHBondContact O-N 3.48Å; I96-P99 WeakPolarHBondContact O-CD 3.23Å; I96-L100 HydrophobicContact CG2-CD1 3.77Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CB 3.28Å; I96-L100 VanDerWaalsContact O-CG 3.28Å; I96-L100 WeakPolarHBondContact O-CG 3.16Å; I96-L100 PolarHBondContact O-N 2.97Å |
| 97 | F | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -65.6 | -47.7 | -169.9 | -73.6 | 23.6 | 0 | 0 | 0 | 112 | F74 V92 L93 L100 A101 V111 F115 M119 M143 | F74-F97 HydrophobicContact CB-CE1 4.25Å; F74-F97 HydrophobicContact CB-CZ 3.74Å; F74-F97 HydrophobicContact CD2-CE1 4.37Å; F74-F97 AromaticContact CD2-CE2 3.73Å; F74-F97 HydrophobicContact CD2-CE2 3.73Å; F74-F97 AromaticContact CD2-CZ 3.48Å; F74-F97 HydrophobicContact CD2-CZ 3.48Å; F74-F97 VanDerWaalsContact CD2-CZ 3.48Å; F74-F97 HydrophobicContact CE2-CE2 4.01Å; F74-F97 HydrophobicContact CE2-CZ 4.22Å; F74-F97 HydrophobicContact CG-CE2 4.27Å; F74-F97 AromaticContact CG-CZ 3.69Å; F74-F97 HydrophobicContact CG-CZ 3.69Å; V92-F97 HydrophobicContact CG1-CD1 3.76Å; V92-F97 HydrophobicContact CG1-CE1 3.38Å; V92-F97 HydrophobicContact CG1-CZ 3.99Å; V92-F97 PolarHBondContact O-N 3.02Å; L93-F97 HydrophobicContact CD2-CD2 3.81Å; L93-F97 HydrophobicContact CD2-CE2 4.23Å; L93-F97 HydrophobicContact CD2-CG 4.42Å; L93-F97 PolarHBondContact O-N 2.91Å; F97-L100 PolarHBondContact O-N 2.99Å; F97-A101 WeakPolarHBondContact O-CB 3.47Å; F97-A101 PolarHBondContact O-N 3.45Å; F97-V111 HydrophobicContact CB-CG1 4.17Å; F97-V111 HydrophobicContact CD2-CG1 4.18Å; F97-V111 HydrophobicContact CG-CG1 4.21Å; F97-F115 HydrophobicContact CD2-CD2 4.19Å; F97-F115 HydrophobicContact CE1-CD2 4.12Å; F97-F115 AromaticContact CE1-CE2 3.92Å; F97-F115 HydrophobicContact CE1-CE2 3.92Å; F97-F115 HydrophobicContact CE1-CZ 4.31Å; F97-F115 HydrophobicContact CE2-CB 3.75Å; F97-F115 HydrophobicContact CE2-CD1 4.25Å; F97-F115 AromaticContact CE2-CD2 3.51Å; F97-F115 HydrophobicContact CE2-CD2 3.51Å; F97-F115 HydrophobicContact CE2-CE2 4.15Å; F97-F115 AromaticContact CE2-CG 3.57Å; F97-F115 HydrophobicContact CE2-CG 3.57Å; F97-F115 HydrophobicContact CZ-CB 4.3Å; F97-F115 AromaticContact CZ-CD1 3.94Å; F97-F115 HydrophobicContact CZ-CD1 3.94Å; F97-F115 AromaticContact CZ-CD2 3.45Å; F97-F115 HydrophobicContact CZ-CD2 3.45Å; F97-F115 VanDerWaalsContact CZ-CD2 3.45Å; F97-F115 HydrophobicContact CZ-CE1 4.11Å; F97-F115 AromaticContact CZ-CE2 3.62Å; F97-F115 HydrophobicContact CZ-CE2 3.62Å; F97-F115 AromaticContact CZ-CG 3.62Å; F97-F115 HydrophobicContact CZ-CG 3.62Å; F97-F115 AromaticContact CZ-CZ 3.95Å; F97-F115 HydrophobicContact CZ-CZ 3.95Å; F97-M119 HydrophobicContact CD2-CE 4.17Å; F97-M119 HydrophobicContact CD2-SD 4.37Å; F97-M119 HydrophobicContact CE2-CE 4.17Å; F97-M119 HydrophobicContact CE2-SD 4.39Å; F97-M143 HydrophobicContact CB-CE 4.5Å; F97-M143 HydrophobicContact CB-SD 4.07Å |
| 98 | V | 94 | Very high | 92.6 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.2 | 169.7 | 0 | 0 | 0 | 0 | 112 | L93 K102 M143 | L93-V98 WeakPolarHBondContact O-CG2 3.48Å; L93-V98 PolarHBondContact O-N 3.26Å; V98-K102 HydrophobicContact CG1-CD 4.18Å; V98-K102 WeakPolarHBondContact O-CD 3.48Å; V98-K102 VanDerWaalsContact O-CG 3.29Å; V98-K102 WeakPolarHBondContact O-CG 3.32Å; V98-K102 PolarHBondContact O-N 3.2Å; V98-K102 VanDerWaalsContact O-N 3.15Å; V98-M143 HydrophobicContact CG2-CG 4.06Å |
| 99 | P | 93.8 | Very high | 93 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 169 | -31.7 | 39.1 | 0 | 0 | 0 | 114.4 | I52 D94 I96 A101 K102 L103 | I52-P99 HydrophobicContact CG2-CB 3.82Å; D94-P99 WeakPolarHBondContact O-CD 3.17Å; D94-P99 WeakPolarHBondContact O-CG 3.41Å; I96-P99 WeakPolarHBondContact O-CD 3.23Å; P99-A101 PolarHBondContact O-N 3.3Å; P99-K102 PolarHBondContact O-N 3.49Å; P99-K102 VanDerWaalsContact O-N 3.14Å; P99-L103 PolarHBondContact O-N 2.77Å |
| 100 | L | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 176.2 | -72.8 | 177.8 | 0 | 0 | 0 | 111.8 | I52 L66 I96 F97 K102 L103 T107 V111 | I52-L100 HydrophobicContact CD1-CD2 3.68Å; I52-L100 HydrophobicContact CD1-CG 3.87Å; I52-L100 HydrophobicContact CG1-CD2 3.9Å; I52-L100 HydrophobicContact CG2-CD2 4.1Å; L66-L100 HydrophobicContact CB-CD2 4.24Å; L66-L100 HydrophobicContact CD1-CD2 3.94Å; I96-L100 HydrophobicContact CG2-CD1 3.77Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CB 3.28Å; I96-L100 VanDerWaalsContact O-CG 3.28Å; I96-L100 WeakPolarHBondContact O-CG 3.16Å; I96-L100 PolarHBondContact O-N 2.97Å; F97-L100 PolarHBondContact O-N 2.99Å; L100-K102 PolarHBondContact O-N 2.78Å; L100-L103 HydrophobicContact CD2-CD1 4.06Å; L100-L103 WeakPolarHBondContact O-CB 3.46Å; L100-L103 WeakPolarHBondContact O-CG 3.32Å; L100-L103 PolarHBondContact O-N 2.77Å; L100-L103 VanDerWaalsContact O-N 3.11Å; L100-T107 HydrophobicContact CB-CG2 4.41Å; L100-T107 WeakPolarHBondContact O-CB 3.26Å; L100-T107 WeakPolarHBondContact O-CG2 3.41Å; L100-V111 HydrophobicContact CB-CG2 3.86Å; L100-V111 HydrophobicContact CD1-CG2 4.3Å |
| 101 | A | 93.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -27.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | F97 P99 L103 A108 M143 | F97-A101 WeakPolarHBondContact O-CB 3.47Å; F97-A101 PolarHBondContact O-N 3.45Å; P99-A101 PolarHBondContact O-N 3.3Å; A101-L103 VanDerWaalsContact C-N 3.31Å; A101-L103 PolarHBondContact O-N 3.34Å; A101-A108 HydrophobicContact CB-CB 3.82Å; A101-A108 WeakPolarHBondContact O-CB 3.48Å; A101-M143 HydrophobicContact CB-CB 4.1Å; A101-M143 HydrophobicContact CB-CG 3.6Å; A101-M143 HydrophobicContact CB-SD 3.82Å |
| 102 | K | 92.7 | Very high | 93.6 | Very high | 153 Ų | 153 | 25.7 Ų | 25.7 | 67% | 0.665 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -76.3 | -12.4 | 175.7 | -74.8 | 167.6 | -178.5 | 171.8 | 0 | 114 | V98 P99 L100 | V98-K102 HydrophobicContact CG1-CD 4.18Å; V98-K102 WeakPolarHBondContact O-CD 3.48Å; V98-K102 VanDerWaalsContact O-CG 3.29Å; V98-K102 WeakPolarHBondContact O-CG 3.32Å; V98-K102 PolarHBondContact O-N 3.2Å; V98-K102 VanDerWaalsContact O-N 3.15Å; P99-K102 PolarHBondContact O-N 3.49Å; P99-K102 VanDerWaalsContact O-N 3.14Å; L100-K102 PolarHBondContact O-N 2.78Å |
| 103 | L | 92.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -44.6 | 177.6 | -60.9 | 179.6 | 0 | 0 | 0 | 112.2 | I52 P56 A59 P99 L100 A101 T107 | I52-L103 HydrophobicContact CG2-CD1 4.28Å; I52-L103 HydrophobicContact CG2-CD2 4.31Å; I52-L103 HydrophobicContact CG2-CG 4.47Å; P56-L103 HydrophobicContact CB-CD2 3.48Å; P56-L103 VanDerWaalsContact CB-CD2 3.48Å; A59-L103 HydrophobicContact CB-CD1 3.73Å; P99-L103 PolarHBondContact O-N 2.77Å; L100-L103 HydrophobicContact CD2-CD1 4.06Å; L100-L103 WeakPolarHBondContact O-CB 3.46Å; L100-L103 WeakPolarHBondContact O-CG 3.32Å; L100-L103 PolarHBondContact O-N 2.77Å; L100-L103 VanDerWaalsContact O-N 3.11Å; A101-L103 VanDerWaalsContact C-N 3.31Å; A101-L103 PolarHBondContact O-N 3.34Å; L103-T107 HydrophobicContact CD1-CG2 4.5Å |
| 104 | S | 92 | Very high | 93.7 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | trans | -163.2 | 157.6 | 172.7 | 82.1 | 0 | 0 | 0 | 0 | 111.4 | S106 T107 A108 | S104-S106 PolarHBondContact O-N 3.17Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S104-S106 PolarHBondContact OG-N 2.82Å; S104-T107 WeakPolarHBondContact O-CB 3.43Å; S104-T107 PolarHBondContact O-N 3.18Å; S104-T107 PolarHBondContact OG-N 3.01Å; S104-T107 PolarHBondContact OG-OG1 3.49Å; S104-A108 PolarHBondContact O-N 3.32Å | ||
| 105 | N | 92.4 | Very high | 93.9 | Very high | 56 Ų | 56 | 29.3 Ų | 29.3 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.9 | -25.1 | 175 | -46.9 | 35.4 | 0 | 0 | 0 | 112.3 | C109 P148 K151 | N105-C109 PolarHBondContact O-N 2.9Å; N105-C109 PolarHBondContact O-SG 3.35Å; N105-C109 VanDerWaalsContact O-SG 3.4Å; N105-P148 WeakPolarHBondContact ND2-CD 3.38Å; N105-K151 HydrophobicContact CB-CD 4.02Å |
| 106 | S | 91.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 28.1 Ų | 28.1 | 50% | 0.497 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -70.7 | -48.8 | 172 | -167.2 | 0 | 0 | 0 | 0 | 110 | S104 A108 C109 D110 | S104-S106 PolarHBondContact O-N 3.17Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S104-S106 PolarHBondContact OG-N 2.82Å; S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 3.39Å; S106-C109 CarbonylContact O-C 3.01Å; S106-C109 WeakPolarHBondContact O-CA 3.47Å; S106-C109 WeakPolarHBondContact O-CB 3.3Å; S106-C109 PolarHBondContact O-N 3.24Å; S106-D110 PolarHBondContact O-N 3.09Å |
| 107 | T | 93.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -37.2 | 177.9 | -39.4 | 0 | 0 | 0 | 0 | 111.5 | L60 L100 L103 S104 D110 V111 | L60-T107 VanDerWaalsContact CD1-OG1 3.29Å; L60-T107 WeakPolarHBondContact CD1-OG1 3.42Å; L100-T107 HydrophobicContact CB-CG2 4.41Å; L100-T107 WeakPolarHBondContact O-CB 3.26Å; L100-T107 WeakPolarHBondContact O-CG2 3.41Å; L103-T107 HydrophobicContact CD1-CG2 4.5Å; S104-T107 WeakPolarHBondContact O-CB 3.43Å; S104-T107 PolarHBondContact O-N 3.18Å; S104-T107 PolarHBondContact OG-N 3.01Å; S104-T107 PolarHBondContact OG-OG1 3.49Å; T107-D110 WeakPolarHBondContact CA-OD2 3.48Å; T107-D110 PolarHBondContact O-N 3.39Å; T107-V111 WeakPolarHBondContact O-CB 3.29Å; T107-V111 VanDerWaalsContact O-CG2 3.25Å; T107-V111 WeakPolarHBondContact O-CG2 3.42Å; T107-V111 PolarHBondContact O-N 2.98Å |
| 108 | A | 94.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A101 S104 S106 L112 I147 | A101-A108 HydrophobicContact CB-CB 3.82Å; A101-A108 WeakPolarHBondContact O-CB 3.48Å; S104-A108 PolarHBondContact O-N 3.32Å; S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 3.39Å; A108-L112 WeakPolarHBondContact O-CB 3.09Å; A108-L112 WeakPolarHBondContact O-CD1 3.28Å; A108-L112 VanDerWaalsContact O-CG 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.95Å; A108-I147 HydrophobicContact CB-CD1 3.56Å; A108-I147 HydrophobicContact CB-CG1 3.78Å |
| 109 | C | 94.5 | Very high | 94.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 172.8 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | N105 S106 L112 Q113 L155 | N105-C109 PolarHBondContact O-N 2.9Å; N105-C109 PolarHBondContact O-SG 3.35Å; N105-C109 VanDerWaalsContact O-SG 3.4Å; S106-C109 CarbonylContact O-C 3.01Å; S106-C109 WeakPolarHBondContact O-CA 3.47Å; S106-C109 WeakPolarHBondContact O-CB 3.3Å; S106-C109 PolarHBondContact O-N 3.24Å; C109-L112 PolarHBondContact O-N 3.11Å; C109-Q113 VanDerWaalsContact O-CB 3.32Å; C109-Q113 WeakPolarHBondContact O-CB 3.28Å; C109-Q113 VanDerWaalsContact O-CG 3.25Å; C109-Q113 WeakPolarHBondContact O-CG 3.45Å; C109-Q113 PolarHBondContact O-N 2.63Å; C109-L155 HydrophobicContact CB-CD2 4.31Å |
| 110 | D | 94.2 | Very high | 94.4 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 178 | -56.4 | -35.5 | 0 | 0 | 0 | 111.3 | K63 L67 S106 T107 Q113 K114 | K63-D110 IonicContact NZ-OD1 2.69Å; K63-D110 IonicContact NZ-OD2 3.17Å; K63-D110 PolarHBondContact NZ-OD2 2.91Å; L67-D110 HydrophobicContact CD1-CB 4.02Å; S106-D110 PolarHBondContact O-N 3.09Å; T107-D110 WeakPolarHBondContact CA-OD2 3.48Å; T107-D110 PolarHBondContact O-N 3.39Å; D110-Q113 PolarHBondContact O-N 2.95Å; D110-K114 WeakPolarHBondContact O-CB 2.91Å; D110-K114 PolarHBondContact O-N 3.19Å |
| 111 | V | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 174.7 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | L67 F97 L100 T107 K114 F115 M143 | L67-V111 HydrophobicContact CD2-CB 4.44Å; L67-V111 HydrophobicContact CD2-CG2 3.72Å; F97-V111 HydrophobicContact CB-CG1 4.17Å; F97-V111 HydrophobicContact CD2-CG1 4.18Å; F97-V111 HydrophobicContact CG-CG1 4.21Å; L100-V111 HydrophobicContact CB-CG2 3.86Å; L100-V111 HydrophobicContact CD1-CG2 4.3Å; T107-V111 WeakPolarHBondContact O-CB 3.29Å; T107-V111 VanDerWaalsContact O-CG2 3.25Å; T107-V111 WeakPolarHBondContact O-CG2 3.42Å; T107-V111 PolarHBondContact O-N 2.98Å; V111-K114 PolarHBondContact O-N 2.92Å; V111-F115 HydrophobicContact CG1-CD2 4.2Å; V111-F115 WeakPolarHBondContact O-CB 3.44Å; V111-F115 VanDerWaalsContact O-CD2 3.28Å; V111-F115 WeakPolarHBondContact O-CD2 3.4Å; V111-F115 PolarHBondContact O-N 3.5Å; V111-M143 HydrophobicContact CG1-SD 3.77Å |
| 112 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 179.3 | -71.2 | 166.9 | 0 | 0 | 0 | 111.7 | A108 C109 K114 F115 L116 L140 M143 L144 I147 L155 | A108-L112 WeakPolarHBondContact O-CB 3.09Å; A108-L112 WeakPolarHBondContact O-CD1 3.28Å; A108-L112 VanDerWaalsContact O-CG 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.95Å; C109-L112 PolarHBondContact O-N 3.11Å; L112-K114 VanDerWaalsContact C-N 3.29Å; L112-K114 PolarHBondContact O-N 3.23Å; L112-F115 PolarHBondContact O-N 3.41Å; L112-L116 WeakPolarHBondContact O-CB 3.34Å; L112-L116 PolarHBondContact O-N 3.47Å; L112-L140 HydrophobicContact CD2-CD2 3.57Å; L112-M143 HydrophobicContact CD2-CE 4.1Å; L112-L144 HydrophobicContact CD1-CD2 3.66Å; L112-L144 HydrophobicContact CD1-CG 3.91Å; L112-I147 HydrophobicContact CD1-CD1 3.56Å; L112-L155 HydrophobicContact CB-CD1 4.26Å; L112-L155 HydrophobicContact CB-CD2 3.95Å; L112-L155 HydrophobicContact CD1-CD1 3.77Å |
| 113 | Q | 94.8 | Very high | 94.5 | Very high | 81 Ų | 81 | 30.5 Ų | 30.5 | 38% | 0.379 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.7 | -41 | 175.9 | -76.4 | 175.3 | -13.6 | 0 | 0 | 111.8 | C109 D110 L155 L161 | C109-Q113 VanDerWaalsContact O-CB 3.32Å; C109-Q113 WeakPolarHBondContact O-CB 3.28Å; C109-Q113 VanDerWaalsContact O-CG 3.25Å; C109-Q113 WeakPolarHBondContact O-CG 3.45Å; C109-Q113 PolarHBondContact O-N 2.63Å; D110-Q113 PolarHBondContact O-N 2.95Å; Q113-L155 HydrophobicContact CG-CD2 3.8Å; Q113-L161 HydrophobicContact CB-CD1 4.4Å; Q113-L161 HydrophobicContact CG-CD1 3.89Å |
| 114 | K | 94.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 31.3 Ų | 31.3 | 30% | 0.296 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -73.4 | -33.5 | -179.7 | -163 | 171.5 | -172.9 | -167 | 0 | 113.9 | L67 E71 D110 V111 L112 | L67-K114 HydrophobicContact CB-CD 4.12Å; L67-K114 PolarHBondContact O-NZ 3.16Å; E71-K114 WeakPolarHBondContact OE2-CE 3.33Å; E71-K114 IonicContact OE2-NZ 3.38Å; E71-K114 PolarHBondContact OE2-NZ 3.21Å; D110-K114 WeakPolarHBondContact O-CB 2.91Å; D110-K114 PolarHBondContact O-N 3.19Å; V111-K114 PolarHBondContact O-N 2.92Å; L112-K114 VanDerWaalsContact C-N 3.29Å; L112-K114 PolarHBondContact O-N 3.23Å |
| 115 | F | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -120.5 | -15.8 | -166.3 | -61.5 | -58.4 | 0 | 0 | 0 | 116.6 | L67 E71 F74 F97 V111 L112 V117 R118 M119 | L67-F115 HydrophobicContact CD2-CE2 3.94Å; E71-F115 HydrophobicContact CB-CE1 3.71Å; E71-F115 HydrophobicContact CB-CZ 3.89Å; E71-F115 HydrophobicContact CG-CE1 4.11Å; F74-F115 HydrophobicContact CD1-CD1 4.41Å; F97-F115 HydrophobicContact CD2-CD2 4.19Å; F97-F115 HydrophobicContact CE1-CD2 4.12Å; F97-F115 AromaticContact CE1-CE2 3.92Å; F97-F115 HydrophobicContact CE1-CE2 3.92Å; F97-F115 HydrophobicContact CE1-CZ 4.31Å; F97-F115 HydrophobicContact CE2-CB 3.75Å; F97-F115 HydrophobicContact CE2-CD1 4.25Å; F97-F115 AromaticContact CE2-CD2 3.51Å; F97-F115 HydrophobicContact CE2-CD2 3.51Å; F97-F115 HydrophobicContact CE2-CE2 4.15Å; F97-F115 AromaticContact CE2-CG 3.57Å; F97-F115 HydrophobicContact CE2-CG 3.57Å; F97-F115 HydrophobicContact CZ-CB 4.3Å; F97-F115 AromaticContact CZ-CD1 3.94Å; F97-F115 HydrophobicContact CZ-CD1 3.94Å; F97-F115 AromaticContact CZ-CD2 3.45Å; F97-F115 HydrophobicContact CZ-CD2 3.45Å; F97-F115 VanDerWaalsContact CZ-CD2 3.45Å; F97-F115 HydrophobicContact CZ-CE1 4.11Å; F97-F115 AromaticContact CZ-CE2 3.62Å; F97-F115 HydrophobicContact CZ-CE2 3.62Å; F97-F115 AromaticContact CZ-CG 3.62Å; F97-F115 HydrophobicContact CZ-CG 3.62Å; F97-F115 AromaticContact CZ-CZ 3.95Å; F97-F115 HydrophobicContact CZ-CZ 3.95Å; V111-F115 HydrophobicContact CG1-CD2 4.2Å; V111-F115 WeakPolarHBondContact O-CB 3.44Å; V111-F115 VanDerWaalsContact O-CD2 3.28Å; V111-F115 WeakPolarHBondContact O-CD2 3.4Å; V111-F115 PolarHBondContact O-N 3.5Å; L112-F115 PolarHBondContact O-N 3.41Å; F115-V117 VanDerWaalsContact C-N 3.35Å; F115-V117 PolarHBondContact O-N 2.96Å; F115-R118 PolarHBondContact O-N 3.13Å; F115-M119 HydrophobicContact CB-CE 3.59Å; F115-M119 PolarHBondContact O-N 3.43Å |
| 116 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -43.7 | -174.3 | 179.1 | 65.9 | 0 | 0 | 0 | 112.6 | L112 R118 M119 L120 L140 L161 I165 L191 | L112-L116 WeakPolarHBondContact O-CB 3.34Å; L112-L116 PolarHBondContact O-N 3.47Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 2.94Å; L116-M119 PolarHBondContact O-N 2.89Å; L116-L120 HydrophobicContact CD1-CD1 3.93Å; L116-L120 HydrophobicContact CD1-CD2 3.98Å; L116-L120 HydrophobicContact CD1-CG 3.74Å; L116-L120 HydrophobicContact CD2-CD1 4.46Å; L116-L120 HydrophobicContact CG-CD1 3.86Å; L116-L120 HydrophobicContact CG-CG 4.07Å; L116-L120 WeakPolarHBondContact O-CG 3.5Å; L116-L120 PolarHBondContact O-N 3.33Å; L116-L140 HydrophobicContact CD1-CD1 4.1Å; L116-L140 HydrophobicContact CD1-CD2 3.67Å; L116-L161 HydrophobicContact CB-CD2 4.23Å; L116-L161 HydrophobicContact CD2-CD2 4.37Å; L116-I165 HydrophobicContact CD2-CD1 4.31Å; L116-I165 HydrophobicContact CD2-CG1 4.34Å; L116-L191 HydrophobicContact CD1-CD1 4.16Å; L116-L191 HydrophobicContact CD2-CD1 4.21Å; L116-L191 HydrophobicContact CD2-CD2 3.97Å |
| 117 | V | 96.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 36 Ų | 36 | 42% | 0.418 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.4 | -44 | -179.8 | -174 | 0 | 0 | 0 | 0 | 112 | F115 G121 L161 A164 | F115-V117 VanDerWaalsContact C-N 3.35Å; F115-V117 PolarHBondContact O-N 2.96Å; V117-G121 PolarHBondContact O-N 2.96Å; V117-G121 VanDerWaalsContact O-N 3.11Å; V117-L161 HydrophobicContact CG2-CD2 3.63Å; V117-A164 HydrophobicContact CB-CB 4.42Å; V117-A164 HydrophobicContact CG1-CB 4.18Å; V117-A164 HydrophobicContact CG2-CB 4.09Å |
| 118 | R | 94.3 | Very high | 93.1 | Very high | 113 Ų | 113 | 37.4 Ų | 37.4 | 43% | 0.426 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.2 | -40.3 | 178.6 | -62 | -173.8 | -171.5 | 153.3 | 12.1 | 111.3 | E71 F74 F115 L116 G121 I122 | E71-R118 IonicContact OE1-CZ 2.66Å; E71-R118 IonicContact OE1-NH1 2.84Å; E71-R118 PolarHBondContact OE1-NH1 2.93Å; E71-R118 IonicContact OE1-NH2 2.79Å; E71-R118 PolarHBondContact OE1-NH2 3.25Å; F74-R118 HydrophobicContact CE1-CB 3.88Å; F115-R118 PolarHBondContact O-N 3.13Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 2.94Å; R118-G121 PolarHBondContact O-N 2.82Å; R118-I122 WeakPolarHBondContact O-CG1 3.47Å; R118-I122 PolarHBondContact O-N 3.15Å |
| 119 | M | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 176.5 | -79 | -166.2 | -83.8 | 0 | 0 | 112.4 | F74 L93 F97 F115 L116 G121 I122 V123 V136 L140 M143 | F74-M119 HydrophobicContact CE2-CG 4.13Å; F74-M119 HydrophobicContact CZ-CG 3.77Å; L93-M119 HydrophobicContact CD2-SD 3.84Å; F97-M119 HydrophobicContact CD2-CE 4.17Å; F97-M119 HydrophobicContact CD2-SD 4.37Å; F97-M119 HydrophobicContact CE2-CE 4.17Å; F97-M119 HydrophobicContact CE2-SD 4.39Å; F115-M119 HydrophobicContact CB-CE 3.59Å; F115-M119 PolarHBondContact O-N 3.43Å; L116-M119 PolarHBondContact O-N 2.89Å; M119-G121 VanDerWaalsContact C-N 3.27Å; M119-G121 PolarHBondContact O-N 2.9Å; M119-I122 PolarHBondContact O-N 3.05Å; M119-V123 WeakPolarHBondContact O-CG2 3.46Å; M119-V123 PolarHBondContact O-N 2.61Å; M119-V123 VanDerWaalsContact O-N 3.13Å; M119-V136 HydrophobicContact CB-CG1 3.59Å; M119-V136 HydrophobicContact CG-CG1 3.88Å; M119-V136 HydrophobicContact SD-CG1 4.16Å; M119-L140 HydrophobicContact CB-CD1 4.07Å; M119-L140 HydrophobicContact CB-CD2 4.4Å; M119-L140 HydrophobicContact CB-CG 4.45Å; M119-L140 HydrophobicContact CE-CD2 3.47Å; M119-L140 VanDerWaalsContact CE-CD2 3.47Å; M119-L140 HydrophobicContact CE-CG 4.36Å; M119-L140 HydrophobicContact SD-CD2 3.69Å; M119-L140 HydrophobicContact SD-CG 3.91Å; M119-M143 HydrophobicContact CE-CE 4.09Å; M119-M143 HydrophobicContact SD-CE 4.47Å |
| 120 | L | 96.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -37.2 | 174.5 | -63.7 | 179.8 | 0 | 0 | 0 | 111.5 | L116 I122 V123 L124 L140 A164 I165 F168 L187 | L116-L120 HydrophobicContact CD1-CD1 3.93Å; L116-L120 HydrophobicContact CD1-CD2 3.98Å; L116-L120 HydrophobicContact CD1-CG 3.74Å; L116-L120 HydrophobicContact CD2-CD1 4.46Å; L116-L120 HydrophobicContact CG-CD1 3.86Å; L116-L120 HydrophobicContact CG-CG 4.07Å; L116-L120 WeakPolarHBondContact O-CG 3.5Å; L116-L120 PolarHBondContact O-N 3.33Å; L120-I122 PolarHBondContact O-N 2.99Å; L120-V123 PolarHBondContact O-N 2.9Å; L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 3.27Å; L120-L140 HydrophobicContact CD2-CD1 4.11Å; L120-A164 HydrophobicContact CD1-CB 4.18Å; L120-I165 HydrophobicContact CD1-CG1 4.31Å; L120-F168 HydrophobicContact CB-CD2 4.17Å; L120-F168 HydrophobicContact CD1-CB 4.14Å; L120-F168 HydrophobicContact CD1-CG 4.36Å; L120-F168 HydrophobicContact CD2-CB 4.47Å; L120-F168 HydrophobicContact CD2-CD1 3.93Å; L120-F168 HydrophobicContact CD2-CD2 3.8Å; L120-F168 HydrophobicContact CD2-CE1 4.06Å; L120-F168 HydrophobicContact CD2-CE2 3.93Å; L120-F168 HydrophobicContact CD2-CG 3.81Å; L120-F168 HydrophobicContact CD2-CZ 4.05Å; L120-F168 HydrophobicContact CG-CD2 4.44Å; L120-F168 HydrophobicContact CG-CG 4.44Å; L120-L187 HydrophobicContact CD2-CD2 3.81Å |
| 121 | G | 94.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V117 R118 M119 V123 L124 N125 | V117-G121 PolarHBondContact O-N 2.96Å; V117-G121 VanDerWaalsContact O-N 3.11Å; R118-G121 PolarHBondContact O-N 2.82Å; M119-G121 VanDerWaalsContact C-N 3.27Å; M119-G121 PolarHBondContact O-N 2.9Å; G121-V123 VanDerWaalsContact C-N 3.34Å; G121-L124 PolarHBondContact O-N 2.99Å; G121-N125 VanDerWaalsContact O-CB 3.32Å; G121-N125 WeakPolarHBondContact O-CB 3.32Å; G121-N125 PolarHBondContact O-N 3Å |
| 122 | I | 93.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 174 | -66.9 | 162 | 0 | 0 | 0 | 110.8 | F74 R118 M119 L120 N125 V136 | F74-I122 HydrophobicContact CE1-CD1 4.3Å; F74-I122 HydrophobicContact CE2-CD1 4.49Å; F74-I122 HydrophobicContact CZ-CD1 3.68Å; R118-I122 WeakPolarHBondContact O-CG1 3.47Å; R118-I122 PolarHBondContact O-N 3.15Å; M119-I122 PolarHBondContact O-N 3.05Å; L120-I122 PolarHBondContact O-N 2.99Å; I122-N125 PolarHBondContact O-N 2.91Å; I122-V136 HydrophobicContact CG2-CG2 4.17Å |
| 123 | V | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -36.6 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | M119 L120 G121 R133 V136 L137 F168 L175 | M119-V123 WeakPolarHBondContact O-CG2 3.46Å; M119-V123 PolarHBondContact O-N 2.61Å; M119-V123 VanDerWaalsContact O-N 3.13Å; L120-V123 PolarHBondContact O-N 2.9Å; G121-V123 VanDerWaalsContact C-N 3.34Å; V123-R133 VanDerWaalsContact O-CZ 3.24Å; V123-R133 PolarHBondContact O-NE 2.93Å; V123-R133 PolarHBondContact O-NH2 3.45Å; V123-V136 HydrophobicContact CG2-CB 4.05Å; V123-V136 HydrophobicContact CG2-CG1 3.61Å; V123-L137 HydrophobicContact CG1-CD1 3.77Å; V123-L137 HydrophobicContact CG1-CD2 3.95Å; V123-L137 HydrophobicContact CG1-CG 3.82Å; V123-L137 HydrophobicContact CG2-CD2 4.15Å; V123-L137 HydrophobicContact CG2-CG 3.83Å; V123-F168 HydrophobicContact CB-CE2 4Å; V123-F168 HydrophobicContact CG1-CE2 3.66Å; V123-F168 HydrophobicContact CG1-CZ 4.07Å; V123-L175 HydrophobicContact CG1-CD2 4.17Å; V123-L175 WeakPolarHBondContact O-CD2 3.21Å |
| 124 | L | 94 | Very high | 90.8 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.1 | -26.3 | 175.3 | -68.2 | 176.1 | 0 | 0 | 0 | 113.3 | L120 G121 N126 F168 L175 | L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 3.27Å; G121-L124 PolarHBondContact O-N 2.99Å; L124-N126 PolarHBondContact O-N 2.99Å; L124-N126 VanDerWaalsContact O-N 3.09Å; L124-F168 HydrophobicContact CD1-CD2 4.24Å; L124-F168 HydrophobicContact CD2-CD2 3.8Å; L124-F168 HydrophobicContact CD2-CE2 4.26Å; L124-F168 HydrophobicContact CG-CD2 3.83Å; L124-F168 HydrophobicContact CG-CE2 4.4Å; L124-L175 HydrophobicContact CD2-CD2 4.16Å |
| 125 | N | 89.8 | Confident | 90.6 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 35% | 0.353 | 23% | 0.228 | S | C | . | . | trans | -72.4 | 103.1 | -177.9 | 179.8 | 24.8 | 0 | 0 | 0 | 111.8 | G121 I122 S127 S128 | G121-N125 VanDerWaalsContact O-CB 3.32Å; G121-N125 WeakPolarHBondContact O-CB 3.32Å; G121-N125 PolarHBondContact O-N 3Å; I122-N125 PolarHBondContact O-N 2.91Å; N125-S127 PolarHBondContact ND2-OG 3.41Å; N125-S127 PolarHBondContact O-N 2.86Å; N125-S127 VanDerWaalsContact O-N 3.07Å; N125-S127 PolarHBondContact OD1-N 3.2Å; N125-S127 PolarHBondContact OD1-OG 3.27Å; N125-S128 PolarHBondContact ND2-N 3.33Å; N125-S128 PolarHBondContact ND2-OG 2.89Å; N125-S128 WeakPolarHBondContact O-CB 3.43Å; N125-S128 PolarHBondContact O-N 3.5Å | ||
| 126 | N | 83.9 | Confident | 90.5 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -5.1 | 174.8 | -74.2 | -27 | 0 | 0 | 0 | 114.4 | L124 R133 D174 | L124-N126 PolarHBondContact O-N 2.99Å; L124-N126 VanDerWaalsContact O-N 3.09Å; N126-R133 PolarHBondContact OD1-NH1 2.88Å; N126-R133 PolarHBondContact OD1-NH2 3.33Å; N126-D174 PolarHBondContact ND2-O 3.13Å |
| 127 | S | 82.1 | Confident | 90.4 | Very high | 103 Ų | 103 | 39.7 Ų | 39.7 | 72% | 0.72 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5.3 | 168 | 71.4 | 0 | 0 | 0 | 0 | 114.5 | N125 | N125-S127 PolarHBondContact ND2-OG 3.41Å; N125-S127 PolarHBondContact O-N 2.86Å; N125-S127 VanDerWaalsContact O-N 3.07Å; N125-S127 PolarHBondContact OD1-N 3.2Å; N125-S127 PolarHBondContact OD1-OG 3.27Å |
| 128 | S | 82.6 | Confident | 90.1 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.6 | 140.9 | 169.6 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | N125 R133 | N125-S128 PolarHBondContact ND2-N 3.33Å; N125-S128 PolarHBondContact ND2-OG 2.89Å; N125-S128 WeakPolarHBondContact O-CB 3.43Å; N125-S128 PolarHBondContact O-N 3.5Å; S128-R133 WeakPolarHBondContact O-CD 3.29Å |
| 129 | D | 82 | Confident | 90.1 | Very high | 96 Ų | 96 | 33.2 Ų | 33.2 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | trans | -54.1 | 142.3 | 176.8 | 164.9 | 62.6 | 0 | 0 | 0 | 112.2 | V131 G132 R133 | D129-V131 PolarHBondContact O-N 3.47Å; D129-V131 WeakPolarHBondContact OD2-CA 3.46Å; D129-V131 WeakPolarHBondContact OD2-CB 2.99Å; D129-V131 PolarHBondContact OD2-N 2.72Å; D129-G132 PolarHBondContact O-N 2.65Å; D129-G132 PolarHBondContact OD2-N 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.37Å; D129-R133 PolarHBondContact O-N 2.89Å | ||
| 130 | L | 86.1 | Confident | 90.1 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | -176.4 | -174.1 | 57.8 | 0 | 0 | 0 | 112.1 | R133 F134 L180 T281 | L130-R133 PolarHBondContact O-N 2.8Å; L130-F134 HydrophobicContact CD1-CD2 4.03Å; L130-F134 HydrophobicContact CD1-CE2 3.52Å; L130-F134 HydrophobicContact CD1-CZ 4.48Å; L130-F134 HydrophobicContact CD2-CE2 4.39Å; L130-F134 HydrophobicContact CG-CD2 4.05Å; L130-F134 HydrophobicContact CG-CE2 3.76Å; L130-F134 WeakPolarHBondContact O-CD2 3.35Å; L130-F134 PolarHBondContact O-N 3.07Å; L130-F134 VanDerWaalsContact O-N 3.13Å; L130-L180 HydrophobicContact CD1-CD1 3.83Å; L130-L180 HydrophobicContact CD1-CD2 4.29Å; L130-L180 HydrophobicContact CD1-CG 4.13Å; L130-T281 HydrophobicContact CD1-CG2 3.6Å; L130-T281 HydrophobicContact CD2-CG2 3.97Å; L130-T281 HydrophobicContact CG-CG2 4.37Å |
| 131 | V | 85.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 33.8 Ų | 33.8 | 42% | 0.424 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -45.7 | 177.5 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | D129 R133 F134 D135 | D129-V131 PolarHBondContact O-N 3.47Å; D129-V131 WeakPolarHBondContact OD2-CA 3.46Å; D129-V131 WeakPolarHBondContact OD2-CB 2.99Å; D129-V131 PolarHBondContact OD2-N 2.72Å; V131-R133 VanDerWaalsContact C-N 3.31Å; V131-R133 PolarHBondContact O-N 2.82Å; V131-F134 CarbonylContact O-C 3.49Å; V131-F134 PolarHBondContact O-N 3.32Å; V131-D135 PolarHBondContact O-N 3.16Å |
| 132 | G | 87.2 | Confident | 89.7 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.1 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | D129 D135 V136 | D129-G132 PolarHBondContact O-N 2.65Å; D129-G132 PolarHBondContact OD2-N 3.47Å; G132-D135 PolarHBondContact O-N 2.9Å; G132-V136 WeakPolarHBondContact O-CG2 3.24Å; G132-V136 PolarHBondContact O-N 3.32Å; G132-V136 VanDerWaalsContact O-N 3.1Å |
| 133 | R | 91.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.3 | -66.9 | 169.9 | 76.7 | -176.4 | 9.2 | 112 | V123 N126 S128 D129 L130 V131 L137 L180 | V123-R133 VanDerWaalsContact O-CZ 3.24Å; V123-R133 PolarHBondContact O-NE 2.93Å; V123-R133 PolarHBondContact O-NH2 3.45Å; N126-R133 PolarHBondContact OD1-NH1 2.88Å; N126-R133 PolarHBondContact OD1-NH2 3.33Å; S128-R133 WeakPolarHBondContact O-CD 3.29Å; D129-R133 WeakPolarHBondContact O-CG 3.37Å; D129-R133 PolarHBondContact O-N 2.89Å; L130-R133 PolarHBondContact O-N 2.8Å; V131-R133 VanDerWaalsContact C-N 3.31Å; V131-R133 PolarHBondContact O-N 2.82Å; R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 3.4Å; R133-L137 VanDerWaalsContact O-N 3.14Å; R133-L180 HydrophobicContact CB-CD2 4.01Å |
| 134 | F | 89.7 | Confident | 89.6 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.9 | -40.3 | 174.2 | -79.7 | -71.8 | 0 | 0 | 0 | 113.8 | L130 V131 V136 L137 T138 D179 L180 | L130-F134 HydrophobicContact CD1-CD2 4.03Å; L130-F134 HydrophobicContact CD1-CE2 3.52Å; L130-F134 HydrophobicContact CD1-CZ 4.48Å; L130-F134 HydrophobicContact CD2-CE2 4.39Å; L130-F134 HydrophobicContact CG-CD2 4.05Å; L130-F134 HydrophobicContact CG-CE2 3.76Å; L130-F134 WeakPolarHBondContact O-CD2 3.35Å; L130-F134 PolarHBondContact O-N 3.07Å; L130-F134 VanDerWaalsContact O-N 3.13Å; V131-F134 CarbonylContact O-C 3.49Å; V131-F134 PolarHBondContact O-N 3.32Å; F134-V136 VanDerWaalsContact C-N 3.29Å; F134-V136 PolarHBondContact O-N 3.39Å; F134-L137 PolarHBondContact O-N 2.91Å; F134-T138 VanDerWaalsContact O-CB 3.23Å; F134-T138 WeakPolarHBondContact O-CB 3.39Å; F134-T138 PolarHBondContact O-N 3.06Å; F134-T138 PolarHBondContact O-OG1 2.8Å; F134-D179 HydrophobicContact CE1-CB 3.74Å; F134-D179 HydrophobicContact CZ-CB 3.58Å; F134-L180 HydrophobicContact CD1-CD2 3.97Å; F134-L180 HydrophobicContact CD2-CD2 3.95Å; F134-L180 HydrophobicContact CE1-CD2 3.65Å; F134-L180 HydrophobicContact CE1-CG 4.18Å; F134-L180 HydrophobicContact CE2-CD2 3.65Å; F134-L180 HydrophobicContact CE2-CG 4.01Å; F134-L180 HydrophobicContact CG-CD2 4.09Å; F134-L180 HydrophobicContact CZ-CB 4.41Å; F134-L180 HydrophobicContact CZ-CD2 3.44Å; F134-L180 VanDerWaalsContact CZ-CD2 3.44Å; F134-L180 HydrophobicContact CZ-CG 3.63Å |
| 135 | D | 90.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 10% | 0.096 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.6 | -73.6 | -33.7 | 0 | 0 | 0 | 110.2 | K90 L93 V131 G132 S139 | K90-D135 HydrophobicContact CB-CB 4.45Å; K90-D135 WeakPolarHBondContact CB-OD2 3.25Å; K90-D135 WeakPolarHBondContact CD-OD1 3.32Å; K90-D135 WeakPolarHBondContact CE-OD1 3.33Å; K90-D135 HydrophobicContact CG-CB 4.35Å; L93-D135 HydrophobicContact CD1-CB 4.17Å; V131-D135 PolarHBondContact O-N 3.16Å; G132-D135 PolarHBondContact O-N 2.9Å; D135-S139 VanDerWaalsContact O-CB 3.28Å; D135-S139 WeakPolarHBondContact O-CB 3.44Å; D135-S139 PolarHBondContact O-N 2.77Å; D135-S139 PolarHBondContact O-OG 3.34Å |
| 136 | V | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -50.9 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | L89 L93 M119 I122 V123 G132 F134 T138 S139 L140 | L89-V136 HydrophobicContact CD1-CG2 4.37Å; L89-V136 HydrophobicContact CD2-CG2 4.1Å; L89-V136 HydrophobicContact CG-CG2 4.47Å; L93-V136 HydrophobicContact CD1-CB 4.47Å; L93-V136 HydrophobicContact CD1-CG2 3.8Å; M119-V136 HydrophobicContact CB-CG1 3.59Å; M119-V136 HydrophobicContact CG-CG1 3.88Å; M119-V136 HydrophobicContact SD-CG1 4.16Å; I122-V136 HydrophobicContact CG2-CG2 4.17Å; V123-V136 HydrophobicContact CG2-CB 4.05Å; V123-V136 HydrophobicContact CG2-CG1 3.61Å; G132-V136 WeakPolarHBondContact O-CG2 3.24Å; G132-V136 PolarHBondContact O-N 3.32Å; G132-V136 VanDerWaalsContact O-N 3.1Å; F134-V136 VanDerWaalsContact C-N 3.29Å; F134-V136 PolarHBondContact O-N 3.39Å; V136-T138 VanDerWaalsContact C-N 3.34Å; V136-T138 PolarHBondContact O-N 3.33Å; V136-S139 PolarHBondContact O-N 3.31Å; V136-L140 HydrophobicContact CG1-CD1 3.97Å; V136-L140 HydrophobicContact CG1-CG 4.36Å; V136-L140 WeakPolarHBondContact O-CB 3.25Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.31Å |
| 137 | L | 94.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 179.8 | -82.1 | 173.8 | 0 | 0 | 0 | 113.2 | V123 R133 F134 N141 F168 L180 H183 L187 | V123-L137 HydrophobicContact CG1-CD1 3.77Å; V123-L137 HydrophobicContact CG1-CD2 3.95Å; V123-L137 HydrophobicContact CG1-CG 3.82Å; V123-L137 HydrophobicContact CG2-CD2 4.15Å; V123-L137 HydrophobicContact CG2-CG 3.83Å; R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 3.4Å; R133-L137 VanDerWaalsContact O-N 3.14Å; F134-L137 PolarHBondContact O-N 2.91Å; L137-N141 WeakPolarHBondContact O-CB 3.2Å; L137-N141 PolarHBondContact O-N 3.26Å; L137-N141 VanDerWaalsContact O-N 3.07Å; L137-N141 PolarHBondContact O-ND2 3.26Å; L137-F168 HydrophobicContact CD2-CZ 4.15Å; L137-L180 HydrophobicContact CD1-CB 4.48Å; L137-L180 HydrophobicContact CD1-CD2 3.64Å; L137-H183 HydrophobicContact CB-CB 4.14Å; L137-H183 HydrophobicContact CD1-CB 3.93Å; L137-H183 HydrophobicContact CG-CB 4.44Å; L137-L187 HydrophobicContact CD2-CD2 3.62Å |
| 138 | T | 90.7 | Very high | 89.5 | Confident | 43 Ų | 43 | 25.8 Ų | 25.8 | 26% | 0.264 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.8 | -47 | 176.3 | -63 | 0 | 0 | 0 | 0 | 110.5 | F134 V136 N141 S142 | F134-T138 VanDerWaalsContact O-CB 3.23Å; F134-T138 WeakPolarHBondContact O-CB 3.39Å; F134-T138 PolarHBondContact O-N 3.06Å; F134-T138 PolarHBondContact O-OG1 2.8Å; V136-T138 VanDerWaalsContact C-N 3.34Å; V136-T138 PolarHBondContact O-N 3.33Å; T138-N141 PolarHBondContact O-N 3.42Å; T138-S142 WeakPolarHBondContact O-CB 3.17Å; T138-S142 PolarHBondContact O-N 3.35Å |
| 139 | S | 93.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | -179.2 | -57 | 0 | 0 | 0 | 0 | 112.1 | L93 D135 V136 S142 M143 | L93-S139 WeakPolarHBondContact CB-OG 3.23Å; D135-S139 VanDerWaalsContact O-CB 3.28Å; D135-S139 WeakPolarHBondContact O-CB 3.44Å; D135-S139 PolarHBondContact O-N 2.77Å; D135-S139 PolarHBondContact O-OG 3.34Å; V136-S139 PolarHBondContact O-N 3.31Å; S139-S142 PolarHBondContact O-N 2.81Å; S139-M143 WeakPolarHBondContact O-CE 3.5Å; S139-M143 WeakPolarHBondContact O-CG 3.49Å; S139-M143 PolarHBondContact O-N 3.3Å |
| 140 | L | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -50.5 | 174.9 | -77.5 | 177.1 | 0 | 0 | 0 | 112 | L112 L116 M119 L120 V136 S142 M143 L144 L187 | L112-L140 HydrophobicContact CD2-CD2 3.57Å; L116-L140 HydrophobicContact CD1-CD1 4.1Å; L116-L140 HydrophobicContact CD1-CD2 3.67Å; M119-L140 HydrophobicContact CB-CD1 4.07Å; M119-L140 HydrophobicContact CB-CD2 4.4Å; M119-L140 HydrophobicContact CB-CG 4.45Å; M119-L140 HydrophobicContact CE-CD2 3.47Å; M119-L140 VanDerWaalsContact CE-CD2 3.47Å; M119-L140 HydrophobicContact CE-CG 4.36Å; M119-L140 HydrophobicContact SD-CD2 3.69Å; M119-L140 HydrophobicContact SD-CG 3.91Å; L120-L140 HydrophobicContact CD2-CD1 4.11Å; V136-L140 HydrophobicContact CG1-CD1 3.97Å; V136-L140 HydrophobicContact CG1-CG 4.36Å; V136-L140 WeakPolarHBondContact O-CB 3.25Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.31Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.26Å; L140-M143 HydrophobicContact CD2-CE 4.21Å; L140-M143 PolarHBondContact O-N 2.87Å; L140-L144 WeakPolarHBondContact O-CB 3.1Å; L140-L144 WeakPolarHBondContact O-CD1 3.45Å; L140-L144 WeakPolarHBondContact O-CG 3.39Å; L140-L144 PolarHBondContact O-N 3.09Å; L140-L187 HydrophobicContact CB-CD1 3.88Å; L140-L187 HydrophobicContact CB-CD2 4.25Å; L140-L187 HydrophobicContact CD1-CD1 4.43Å; L140-L187 HydrophobicContact CD1-CD2 3.65Å |
| 141 | N | 93.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 177.8 | -80.8 | -69.9 | 0 | 0 | 0 | 111.8 | L137 T138 S145 H183 L187 R190 | L137-N141 WeakPolarHBondContact O-CB 3.2Å; L137-N141 PolarHBondContact O-N 3.26Å; L137-N141 VanDerWaalsContact O-N 3.07Å; L137-N141 PolarHBondContact O-ND2 3.26Å; T138-N141 PolarHBondContact O-N 3.42Å; N141-S145 WeakPolarHBondContact O-CB 3.25Å; N141-S145 PolarHBondContact O-N 3.27Å; N141-H183 PolarHBondContact ND2-O 2.96Å; N141-L187 WeakPolarHBondContact OD1-CA 3.27Å; N141-L187 PolarHBondContact OD1-N 3.42Å; N141-R190 PolarHBondContact OD1-NH1 3.37Å |
| 142 | S | 89.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 29.6 Ų | 29.6 | 34% | 0.343 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | T138 S139 L140 L144 S145 | T138-S142 WeakPolarHBondContact O-CB 3.17Å; T138-S142 PolarHBondContact O-N 3.35Å; S139-S142 PolarHBondContact O-N 2.81Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.26Å; S142-L144 PolarHBondContact O-N 3.14Å; S142-S145 PolarHBondContact O-N 2.96Å; S142-S145 PolarHBondContact O-OG 2.61Å |
| 143 | M | 93.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 177.7 | -69.3 | -174.6 | -73.8 | 0 | 0 | 111.8 | F97 V98 A101 V111 L112 M119 S139 L140 S145 G146 | F97-M143 HydrophobicContact CB-CE 4.5Å; F97-M143 HydrophobicContact CB-SD 4.07Å; V98-M143 HydrophobicContact CG2-CG 4.06Å; A101-M143 HydrophobicContact CB-CB 4.1Å; A101-M143 HydrophobicContact CB-CG 3.6Å; A101-M143 HydrophobicContact CB-SD 3.82Å; V111-M143 HydrophobicContact CG1-SD 3.77Å; L112-M143 HydrophobicContact CD2-CE 4.1Å; M119-M143 HydrophobicContact CE-CE 4.09Å; M119-M143 HydrophobicContact SD-CE 4.47Å; S139-M143 WeakPolarHBondContact O-CE 3.5Å; S139-M143 WeakPolarHBondContact O-CG 3.49Å; S139-M143 PolarHBondContact O-N 3.3Å; L140-M143 HydrophobicContact CD2-CE 4.21Å; L140-M143 PolarHBondContact O-N 2.87Å; M143-S145 VanDerWaalsContact C-N 3.29Å; M143-S145 PolarHBondContact O-N 2.76Å; M143-G146 PolarHBondContact O-N 2.88Å |
| 144 | L | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -25.4 | 178.8 | -73.8 | 160.4 | 0 | 0 | 0 | 113.6 | L112 L140 S142 G146 I147 R152 L155 L187 R190 L191 | L112-L144 HydrophobicContact CD1-CD2 3.66Å; L112-L144 HydrophobicContact CD1-CG 3.91Å; L140-L144 WeakPolarHBondContact O-CB 3.1Å; L140-L144 WeakPolarHBondContact O-CD1 3.45Å; L140-L144 WeakPolarHBondContact O-CG 3.39Å; L140-L144 PolarHBondContact O-N 3.09Å; S142-L144 PolarHBondContact O-N 3.14Å; L144-G146 PolarHBondContact O-N 3.34Å; L144-I147 HydrophobicContact CD2-CD1 4.44Å; L144-I147 PolarHBondContact O-N 3.12Å; L144-R152 HydrophobicContact CD2-CG 4.44Å; L144-L155 HydrophobicContact CD2-CD1 3.69Å; L144-L187 HydrophobicContact CD1-CD1 3.26Å; L144-R190 HydrophobicContact CB-CB 4.22Å; L144-R190 HydrophobicContact CD1-CB 4.23Å; L144-L191 HydrophobicContact CD1-CD1 4.39Å; L144-L191 HydrophobicContact CD1-CD2 3.83Å; L144-L191 HydrophobicContact CD1-CG 3.89Å; L144-L191 HydrophobicContact CD2-CD2 3.78Å; L144-L191 HydrophobicContact CG-CD2 4.48Å |
| 145 | S | 86.5 | Confident | 90.4 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 45% | 0.448 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.7 | -23.3 | 177.3 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | N141 S142 M143 | N141-S145 WeakPolarHBondContact O-CB 3.25Å; N141-S145 PolarHBondContact O-N 3.27Å; S142-S145 PolarHBondContact O-N 2.96Å; S142-S145 PolarHBondContact O-OG 2.61Å; M143-S145 VanDerWaalsContact C-N 3.29Å; M143-S145 PolarHBondContact O-N 2.76Å |
| 146 | G | 81.2 | Confident | 90.6 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 52% | 0.515 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M143 L144 | M143-G146 PolarHBondContact O-N 2.88Å; L144-G146 PolarHBondContact O-N 3.34Å |
| 147 | I | 90.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -109.4 | 116.2 | -174.8 | -47.5 | 174.9 | 0 | 0 | 0 | 109.7 | A108 L112 L144 K151 R152 | A108-I147 HydrophobicContact CB-CD1 3.56Å; A108-I147 HydrophobicContact CB-CG1 3.78Å; L112-I147 HydrophobicContact CD1-CD1 3.56Å; L144-I147 HydrophobicContact CD2-CD1 4.44Å; L144-I147 PolarHBondContact O-N 3.12Å; I147-K151 HydrophobicContact CG2-CB 3.81Å; I147-R152 HydrophobicContact CB-CG 3.73Å; I147-R152 HydrophobicContact CG2-CG 3.53Å; I147-R152 WeakPolarHBondContact O-CD 3.46Å; I147-R152 WeakPolarHBondContact O-CG 3.42Å; I147-R152 PolarHBondContact O-NH1 3.1Å |
| 148 | P | 89.5 | Confident | 90.5 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | trans | -55.6 | 143.8 | 172.8 | -26.7 | 35.5 | 0 | 0 | 0 | 112.1 | N105 T150 K151 R152 | N105-P148 WeakPolarHBondContact ND2-CD 3.38Å; P148-T150 VanDerWaalsContact C-N 3.28Å; P148-T150 PolarHBondContact O-N 3.27Å; P148-K151 PolarHBondContact O-N 3.18Å; P148-R152 PolarHBondContact O-N 3.17Å; P148-R152 VanDerWaalsContact O-N 3.1Å | ||
| 149 | S | 85.3 | Confident | 90.7 | Very high | 44 Ų | 44 | 50 Ų | 50 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -47.7 | -47.2 | -177.6 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | K151 R152 N153 D782 | S149-K151 PolarHBondContact O-N 3.15Å; S149-K151 VanDerWaalsContact O-N 3.17Å; S149-R152 PolarHBondContact O-N 3.05Å; S149-N153 PolarHBondContact O-N 3Å; S149-N153 PolarHBondContact O-OD1 3.42Å; S149-D782 WeakPolarHBondContact CB-OD2 3.44Å; S149-D782 PolarHBondContact N-OD2 2.83Å; S149-D782 PolarHBondContact OG-OD2 3.3Å |
| 150 | T | 85 | Confident | 90.8 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -55.9 | -32.6 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | P148 | P148-T150 VanDerWaalsContact C-N 3.28Å; P148-T150 PolarHBondContact O-N 3.27Å |
| 151 | K | 88.3 | Confident | 90.8 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -85 | -32.3 | 175.4 | -67.1 | -173.1 | 179.9 | -179.5 | 0 | 112.4 | N105 I147 P148 S149 N153 C154 | N105-K151 HydrophobicContact CB-CD 4.02Å; I147-K151 HydrophobicContact CG2-CB 3.81Å; P148-K151 PolarHBondContact O-N 3.18Å; S149-K151 PolarHBondContact O-N 3.15Å; S149-K151 VanDerWaalsContact O-N 3.17Å; K151-N153 PolarHBondContact O-N 2.91Å; K151-C154 PolarHBondContact O-N 3.1Å; K151-C154 PolarHBondContact O-SG 2.73Å |
| 152 | R | 90.2 | Very high | 91 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -23.5 | 176.4 | -61.4 | -164.1 | -56 | -110.7 | 6.5 | 112.9 | L144 I147 P148 S149 C154 L155 R190 | L144-R152 HydrophobicContact CD2-CG 4.44Å; I147-R152 HydrophobicContact CB-CG 3.73Å; I147-R152 HydrophobicContact CG2-CG 3.53Å; I147-R152 WeakPolarHBondContact O-CD 3.46Å; I147-R152 WeakPolarHBondContact O-CG 3.42Å; I147-R152 PolarHBondContact O-NH1 3.1Å; P148-R152 PolarHBondContact O-N 3.17Å; P148-R152 VanDerWaalsContact O-N 3.1Å; S149-R152 PolarHBondContact O-N 3.05Å; R152-C154 PolarHBondContact O-N 3.5Å; R152-C154 VanDerWaalsContact O-N 3.09Å; R152-L155 VanDerWaalsContact O-CB 3.29Å; R152-L155 WeakPolarHBondContact O-CB 3.47Å; R152-L155 PolarHBondContact O-N 2.84Å; R152-R190 WeakPolarHBondContact CD-O 3.48Å; R152-R190 PolarHBondContact NE-O 2.85Å |
| 153 | N | 89.3 | Confident | 91.3 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.6 | -25.8 | 173.9 | -69.4 | -9.4 | 0 | 0 | 0 | 114 | S149 K151 L155 W156 N157 P193 | S149-N153 PolarHBondContact O-N 3Å; S149-N153 PolarHBondContact O-OD1 3.42Å; K151-N153 PolarHBondContact O-N 2.91Å; N153-L155 PolarHBondContact O-N 3.48Å; N153-W156 PolarHBondContact O-N 3.3Å; N153-N157 WeakPolarHBondContact O-CB 3.12Å; N153-N157 PolarHBondContact O-N 3.03Å; N153-N157 PolarHBondContact O-ND2 2.92Å; N153-P193 WeakPolarHBondContact OD1-CG 3.42Å |
| 154 | C | 91.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 59 Ų | 59 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.9 | -21 | 174.5 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | K151 R152 | K151-C154 PolarHBondContact O-N 3.1Å; K151-C154 PolarHBondContact O-SG 2.73Å; R152-C154 PolarHBondContact O-N 3.5Å; R152-C154 VanDerWaalsContact O-N 3.09Å |
| 155 | L | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79 | -35 | 174.2 | -53.1 | 176.8 | 0 | 0 | 0 | 111.1 | C109 L112 Q113 L144 R152 N153 L161 L191 | C109-L155 HydrophobicContact CB-CD2 4.31Å; L112-L155 HydrophobicContact CB-CD1 4.26Å; L112-L155 HydrophobicContact CB-CD2 3.95Å; L112-L155 HydrophobicContact CD1-CD1 3.77Å; Q113-L155 HydrophobicContact CG-CD2 3.8Å; L144-L155 HydrophobicContact CD2-CD1 3.69Å; R152-L155 VanDerWaalsContact O-CB 3.29Å; R152-L155 WeakPolarHBondContact O-CB 3.47Å; R152-L155 PolarHBondContact O-N 2.84Å; N153-L155 PolarHBondContact O-N 3.48Å; L155-L161 HydrophobicContact CB-CD1 4.33Å; L155-L161 HydrophobicContact CD2-CD1 4.22Å; L155-L161 VanDerWaalsContact O-CB 3.29Å; L155-L161 WeakPolarHBondContact O-CB 3.48Å; L155-L191 HydrophobicContact CB-CD2 4.5Å; L155-L191 HydrophobicContact CD1-CD2 4.02Å |
| 156 | W | 93 | Very high | 92.2 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76 | -32.1 | 176 | -178.8 | -101 | 0 | 0 | 0 | 113.2 | N153 D158 R162 I165 V192 P193 I196 F200 | N153-W156 PolarHBondContact O-N 3.3Å; W156-D158 VanDerWaalsContact C-N 3.33Å; W156-R162 HydrophobicContact CD2-CG 4.02Å; W156-R162 HydrophobicContact CE3-CG 4.02Å; W156-R162 HydrophobicContact CH2-CG 3.56Å; W156-R162 VanDerWaalsContact CZ2-CD 3.49Å; W156-R162 HydrophobicContact CZ2-CG 3.58Å; W156-R162 HydrophobicContact CZ3-CG 3.8Å; W156-R162 WeakPolarHBondContact O-CB 3.48Å; W156-R162 WeakPolarHBondContact O-CD 3.34Å; W156-I165 HydrophobicContact CE3-CD1 4.21Å; W156-I165 HydrophobicContact CE3-CG2 4.34Å; W156-I165 HydrophobicContact CZ3-CB 4.21Å; W156-I165 HydrophobicContact CZ3-CG2 3.81Å; W156-V192 HydrophobicContact CE3-CG2 4.34Å; W156-V192 HydrophobicContact CZ3-CG2 3.93Å; W156-P193 HydrophobicContact CB-CG 3.84Å; W156-P193 HydrophobicContact CD2-CG 4.35Å; W156-P193 HydrophobicContact CG-CG 3.65Å; W156-I196 HydrophobicContact CD2-CD1 4.23Å; W156-I196 HydrophobicContact CH2-CD1 4.24Å; W156-I196 HydrophobicContact CZ2-CD1 3.33Å; W156-I196 VanDerWaalsContact NE1-CD1 3.31Å; W156-F200 AromaticContact CH2-CD2 3.69Å; W156-F200 HydrophobicContact CH2-CD2 3.69Å; W156-F200 AromaticContact CH2-CE2 3.98Å; W156-F200 HydrophobicContact CH2-CE2 3.98Å; W156-F200 HydrophobicContact CZ3-CD2 4.08Å; W156-F200 HydrophobicContact CZ3-CE2 4.05Å |
| 157 | N | 92.5 | Very high | 92.9 | Very high | 116 Ų | 116 | 58.4 Ų | 58.4 | 62% | 0.62 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -76.3 | -19.5 | -178.5 | -71.4 | -15.7 | 0 | 0 | 0 | 113.4 | N153 R159 | N153-N157 WeakPolarHBondContact O-CB 3.12Å; N153-N157 PolarHBondContact O-N 3.03Å; N153-N157 PolarHBondContact O-ND2 2.92Å; N157-R159 PolarHBondContact O-N 2.99Å |
| 158 | D | 94.7 | Very high | 93.2 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -69.1 | 124.3 | 170.2 | -176 | -75.3 | 0 | 0 | 0 | 110.6 | W156 S160 L161 R162 | W156-D158 VanDerWaalsContact C-N 3.33Å; D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 PolarHBondContact O-N 3.18Å; D158-S160 WeakPolarHBondContact OD1-CA 3.44Å; D158-S160 WeakPolarHBondContact OD1-CB 3.22Å; D158-S160 PolarHBondContact OD1-N 3.48Å; D158-S160 PolarHBondContact OD1-OG 3.32Å; D158-L161 HydrophobicContact CB-CB 4.07Å; D158-L161 HydrophobicContact CB-CD1 3.92Å; D158-L161 HydrophobicContact CB-CG 3.85Å; D158-L161 PolarHBondContact O-N 3.36Å; D158-L161 PolarHBondContact OD1-N 2.91Å; D158-R162 VanDerWaalsContact O-CB 3.25Å; D158-R162 WeakPolarHBondContact O-CB 3.24Å; D158-R162 PolarHBondContact O-N 3.06Å |
| 159 | R | 95.1 | Very high | 93.5 | Very high | 198 Ų | 198 | 56.6 Ų | 56.6 | 75% | 0.747 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.7 | -36.8 | -176.4 | -175.5 | -177.1 | -70.3 | -158.3 | -1.1 | 112.7 | N157 T163 | N157-R159 PolarHBondContact O-N 2.99Å; R159-T163 PolarHBondContact O-N 3.48Å; R159-T163 VanDerWaalsContact O-N 3.15Å; R159-T163 PolarHBondContact O-OG1 2.81Å; R159-T163 VanDerWaalsContact O-OG1 3.06Å |
| 160 | S | 94.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 57 Ų | 57 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.3 | -43.3 | -178.1 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | D158 T163 A164 | D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 PolarHBondContact O-N 3.18Å; D158-S160 WeakPolarHBondContact OD1-CA 3.44Å; D158-S160 WeakPolarHBondContact OD1-CB 3.22Å; D158-S160 PolarHBondContact OD1-N 3.48Å; D158-S160 PolarHBondContact OD1-OG 3.32Å; S160-T163 PolarHBondContact O-N 2.72Å; S160-A164 PolarHBondContact O-N 3.22Å |
| 161 | L | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 175.3 | -57.9 | -173.7 | 0 | 0 | 0 | 110.8 | Q113 L116 V117 L155 D158 T163 A164 I165 | Q113-L161 HydrophobicContact CB-CD1 4.4Å; Q113-L161 HydrophobicContact CG-CD1 3.89Å; L116-L161 HydrophobicContact CB-CD2 4.23Å; L116-L161 HydrophobicContact CD2-CD2 4.37Å; V117-L161 HydrophobicContact CG2-CD2 3.63Å; L155-L161 HydrophobicContact CB-CD1 4.33Å; L155-L161 HydrophobicContact CD2-CD1 4.22Å; L155-L161 VanDerWaalsContact O-CB 3.29Å; L155-L161 WeakPolarHBondContact O-CB 3.48Å; D158-L161 HydrophobicContact CB-CB 4.07Å; D158-L161 HydrophobicContact CB-CD1 3.92Å; D158-L161 HydrophobicContact CB-CG 3.85Å; D158-L161 PolarHBondContact O-N 3.36Å; D158-L161 PolarHBondContact OD1-N 2.91Å; L161-T163 VanDerWaalsContact C-N 3.32Å; L161-T163 PolarHBondContact O-N 2.75Å; L161-A164 CarbonylContact O-C 3.57Å; L161-A164 WeakPolarHBondContact O-CA 3.48Å; L161-A164 WeakPolarHBondContact O-CB 3.23Å; L161-A164 PolarHBondContact O-N 3.12Å; L161-I165 HydrophobicContact CB-CD1 4.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.44Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 2.8Å |
| 162 | R | 96.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 177 | -165 | 173.1 | 70.8 | -163.2 | 8.7 | 112 | W156 D158 A164 I165 S166 | W156-R162 HydrophobicContact CD2-CG 4.02Å; W156-R162 HydrophobicContact CE3-CG 4.02Å; W156-R162 HydrophobicContact CH2-CG 3.56Å; W156-R162 VanDerWaalsContact CZ2-CD 3.49Å; W156-R162 HydrophobicContact CZ2-CG 3.58Å; W156-R162 HydrophobicContact CZ3-CG 3.8Å; W156-R162 WeakPolarHBondContact O-CB 3.48Å; W156-R162 WeakPolarHBondContact O-CD 3.34Å; D158-R162 VanDerWaalsContact O-CB 3.25Å; D158-R162 WeakPolarHBondContact O-CB 3.24Å; D158-R162 PolarHBondContact O-N 3.06Å; R162-A164 PolarHBondContact O-N 2.8Å; R162-I165 PolarHBondContact O-N 2.71Å; R162-S166 WeakPolarHBondContact O-CB 3.39Å; R162-S166 PolarHBondContact O-N 3.37Å; R162-S166 PolarHBondContact O-OG 2.9Å |
| 163 | T | 96.7 | Very high | 94.6 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 173.2 | -62 | 0 | 0 | 0 | 0 | 111.8 | R159 S160 L161 S166 N167 | R159-T163 PolarHBondContact O-N 3.48Å; R159-T163 VanDerWaalsContact O-N 3.15Å; R159-T163 PolarHBondContact O-OG1 2.81Å; R159-T163 VanDerWaalsContact O-OG1 3.06Å; S160-T163 PolarHBondContact O-N 2.72Å; L161-T163 VanDerWaalsContact C-N 3.32Å; L161-T163 PolarHBondContact O-N 2.75Å; T163-S166 PolarHBondContact O-N 3.31Å; T163-N167 WeakPolarHBondContact O-CB 3.3Å; T163-N167 PolarHBondContact O-N 3.42Å; T163-N167 PolarHBondContact O-OD1 3.15Å |
| 164 | A | 97 | Very high | 94.7 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 12% | 0.116 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V117 L120 S160 L161 R162 N167 F168 | V117-A164 HydrophobicContact CB-CB 4.42Å; V117-A164 HydrophobicContact CG1-CB 4.18Å; V117-A164 HydrophobicContact CG2-CB 4.09Å; L120-A164 HydrophobicContact CD1-CB 4.18Å; S160-A164 PolarHBondContact O-N 3.22Å; L161-A164 CarbonylContact O-C 3.57Å; L161-A164 WeakPolarHBondContact O-CA 3.48Å; L161-A164 WeakPolarHBondContact O-CB 3.23Å; L161-A164 PolarHBondContact O-N 3.12Å; R162-A164 PolarHBondContact O-N 2.8Å; A164-N167 PolarHBondContact O-N 3.5Å; A164-F168 VanDerWaalsContact O-CB 3.28Å; A164-F168 WeakPolarHBondContact O-CB 3.32Å; A164-F168 PolarHBondContact O-N 2.66Å |
| 165 | I | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | 177.2 | -63.1 | 158.5 | 0 | 0 | 0 | 110.7 | L116 L120 W156 L161 R162 F168 G169 L188 L191 V192 F200 | L116-I165 HydrophobicContact CD2-CD1 4.31Å; L116-I165 HydrophobicContact CD2-CG1 4.34Å; L120-I165 HydrophobicContact CD1-CG1 4.31Å; W156-I165 HydrophobicContact CE3-CD1 4.21Å; W156-I165 HydrophobicContact CE3-CG2 4.34Å; W156-I165 HydrophobicContact CZ3-CB 4.21Å; W156-I165 HydrophobicContact CZ3-CG2 3.81Å; L161-I165 HydrophobicContact CB-CD1 4.4Å; L161-I165 WeakPolarHBondContact O-CD1 3.44Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 2.8Å; R162-I165 PolarHBondContact O-N 2.71Å; I165-F168 WeakPolarHBondContact O-CB 3.38Å; I165-F168 PolarHBondContact O-N 2.99Å; I165-G169 PolarHBondContact O-N 3.38Å; I165-L188 HydrophobicContact CG2-CD2 3.97Å; I165-L191 HydrophobicContact CD1-CB 4.08Å; I165-L191 HydrophobicContact CD1-CD1 4.46Å; I165-L191 HydrophobicContact CD1-CD2 4.41Å; I165-L191 HydrophobicContact CG1-CB 4.37Å; I165-L191 HydrophobicContact CG1-CD1 4.14Å; I165-L191 HydrophobicContact CG2-CB 4.26Å; I165-V192 HydrophobicContact CG2-CG2 3.93Å; I165-F200 HydrophobicContact CG2-CE2 4.12Å; I165-F200 HydrophobicContact CG2-CZ 4.19Å |
| 166 | S | 96.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 172.6 | -74.6 | 0 | 0 | 0 | 0 | 112.5 | R162 T163 F168 G169 A170 Y204 | R162-S166 WeakPolarHBondContact O-CB 3.39Å; R162-S166 PolarHBondContact O-N 3.37Å; R162-S166 PolarHBondContact O-OG 2.9Å; T163-S166 PolarHBondContact O-N 3.31Å; S166-F168 VanDerWaalsContact C-N 3.27Å; S166-F168 PolarHBondContact O-N 3.15Å; S166-G169 PolarHBondContact O-N 2.96Å; S166-A170 PolarHBondContact O-N 3.21Å; S166-Y204 WeakPolarHBondContact OG-CD2 3.32Å; S166-Y204 WeakPolarHBondContact OG-CE2 3.26Å |
| 167 | N | 96.1 | Very high | 94.6 | Very high | 97 Ų | 97 | 43.8 Ų | 43.8 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 175.4 | -67.9 | -4.1 | 0 | 0 | 0 | 111.8 | T163 A164 A170 G171 | T163-N167 WeakPolarHBondContact O-CB 3.3Å; T163-N167 PolarHBondContact O-N 3.42Å; T163-N167 PolarHBondContact O-OD1 3.15Å; A164-N167 PolarHBondContact O-N 3.5Å; N167-A170 PolarHBondContact O-N 3.03Å; N167-G171 PolarHBondContact O-N 3.45Å |
| 168 | F | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.2 | -35.3 | 174.5 | -172.2 | -110 | 0 | 0 | 0 | 112.8 | L120 V123 L124 L137 A164 I165 S166 G171 L172 S184 L187 L188 | L120-F168 HydrophobicContact CB-CD2 4.17Å; L120-F168 HydrophobicContact CD1-CB 4.14Å; L120-F168 HydrophobicContact CD1-CG 4.36Å; L120-F168 HydrophobicContact CD2-CB 4.47Å; L120-F168 HydrophobicContact CD2-CD1 3.93Å; L120-F168 HydrophobicContact CD2-CD2 3.8Å; L120-F168 HydrophobicContact CD2-CE1 4.06Å; L120-F168 HydrophobicContact CD2-CE2 3.93Å; L120-F168 HydrophobicContact CD2-CG 3.81Å; L120-F168 HydrophobicContact CD2-CZ 4.05Å; L120-F168 HydrophobicContact CG-CD2 4.44Å; L120-F168 HydrophobicContact CG-CG 4.44Å; V123-F168 HydrophobicContact CB-CE2 4Å; V123-F168 HydrophobicContact CG1-CE2 3.66Å; V123-F168 HydrophobicContact CG1-CZ 4.07Å; L124-F168 HydrophobicContact CD1-CD2 4.24Å; L124-F168 HydrophobicContact CD2-CD2 3.8Å; L124-F168 HydrophobicContact CD2-CE2 4.26Å; L124-F168 HydrophobicContact CG-CD2 3.83Å; L124-F168 HydrophobicContact CG-CE2 4.4Å; L137-F168 HydrophobicContact CD2-CZ 4.15Å; A164-F168 VanDerWaalsContact O-CB 3.28Å; A164-F168 WeakPolarHBondContact O-CB 3.32Å; A164-F168 PolarHBondContact O-N 2.66Å; I165-F168 WeakPolarHBondContact O-CB 3.38Å; I165-F168 PolarHBondContact O-N 2.99Å; S166-F168 VanDerWaalsContact C-N 3.27Å; S166-F168 PolarHBondContact O-N 3.15Å; F168-G171 PolarHBondContact O-N 3.5Å; F168-L172 PolarHBondContact O-N 2.74Å; F168-S184 WeakPolarHBondContact CZ-OG 3.44Å; F168-L187 HydrophobicContact CE1-CB 4.48Å; F168-L187 HydrophobicContact CE1-CD2 3.81Å; F168-L187 HydrophobicContact CE1-CG 4.26Å; F168-L187 HydrophobicContact CZ-CD2 3.98Å; F168-L188 HydrophobicContact CD1-CD1 4.43Å; F168-L188 HydrophobicContact CD1-CD2 3.77Å; F168-L188 HydrophobicContact CD1-CG 3.92Å; F168-L188 HydrophobicContact CE1-CD2 4.48Å; F168-L188 HydrophobicContact CE1-CG 4.16Å |
| 169 | G | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I165 S166 L172 Y204 | I165-G169 PolarHBondContact O-N 3.38Å; S166-G169 PolarHBondContact O-N 2.96Å; G169-L172 WeakPolarHBondContact O-CB 3.47Å; G169-L172 PolarHBondContact O-N 2.87Å; G169-Y204 CarbonylContact C-O 3.55Å |
| 170 | A | 94.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S166 N167 L172 Y204 | S166-A170 PolarHBondContact O-N 3.21Å; N167-A170 PolarHBondContact O-N 3.03Å; A170-L172 PolarHBondContact O-N 3.33Å; A170-Y204 WeakPolarHBondContact CA-O 3.44Å; A170-Y204 WeakPolarHBondContact CB-O 3.47Å; A170-Y204 PolarHBondContact N-O 2.91Å |
| 171 | G | 93.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -5.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N167 F168 R173 D174 L175 | N167-G171 PolarHBondContact O-N 3.45Å; F168-G171 PolarHBondContact O-N 3.5Å; G171-R173 VanDerWaalsContact C-N 3.34Å; G171-R173 PolarHBondContact O-N 2.85Å; G171-D174 PolarHBondContact O-N 3.45Å; G171-D174 VanDerWaalsContact O-N 3.1Å; G171-L175 PolarHBondContact O-N 3.1Å |
| 172 | L | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -43.8 | -174 | -176.7 | 67.1 | 0 | 0 | 0 | 112.4 | F168 G169 A170 D174 L175 Q181 L188 I205 F231 L232 | F168-L172 PolarHBondContact O-N 2.74Å; G169-L172 WeakPolarHBondContact O-CB 3.47Å; G169-L172 PolarHBondContact O-N 2.87Å; A170-L172 PolarHBondContact O-N 3.33Å; L172-D174 PolarHBondContact O-N 2.81Å; L172-L175 HydrophobicContact CD1-CD1 4.1Å; L172-Q181 HydrophobicContact CD1-CB 4.43Å; L172-Q181 HydrophobicContact CD1-CG 4.29Å; L172-Q181 VanDerWaalsContact O-CG 3.27Å; L172-Q181 WeakPolarHBondContact O-CG 3.3Å; L172-Q181 PolarHBondContact O-NE2 2.71Å; L172-L188 HydrophobicContact CD1-CD1 4.39Å; L172-L188 HydrophobicContact CD2-CD1 4.2Å; L172-I205 HydrophobicContact CD2-CD1 4.36Å; L172-I205 HydrophobicContact CD2-CG2 4.11Å; L172-F231 HydrophobicContact CD2-CE1 4.06Å; L172-F231 HydrophobicContact CD2-CZ 4.01Å; L172-L232 HydrophobicContact CD2-CD2 4.45Å |
| 173 | R | 90 | Very high | 94 | Very high | 28 Ų | 28 | 19.5 Ų | 19.5 | 11% | 0.106 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -64 | -39.7 | 177.7 | -178.2 | 176.7 | 163.7 | 133.4 | 4.6 | 111.9 | G171 L175 Q181 V235 V238 V241 D242 | G171-R173 VanDerWaalsContact C-N 3.34Å; G171-R173 PolarHBondContact O-N 2.85Å; R173-L175 VanDerWaalsContact C-N 3.33Å; R173-L175 PolarHBondContact O-N 3.28Å; R173-Q181 PolarHBondContact O-NE2 2.75Å; R173-V235 HydrophobicContact CB-CG1 4.49Å; R173-V238 PolarHBondContact NH1-O 2.83Å; R173-V241 PolarHBondContact NH2-O 3.41Å; R173-D242 PolarHBondContact NH2-O 3.18Å |
| 174 | D | 90.5 | Very high | 94 | Very high | 84 Ų | 84 | 15.9 Ų | 15.9 | 45% | 0.449 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -84.5 | 0.9 | -171.9 | -70 | -41.2 | 0 | 0 | 0 | 115.1 | N126 G171 L172 G176 | N126-D174 PolarHBondContact ND2-O 3.13Å; G171-D174 PolarHBondContact O-N 3.45Å; G171-D174 VanDerWaalsContact O-N 3.1Å; L172-D174 PolarHBondContact O-N 2.81Å; D174-G176 PolarHBondContact O-N 3.42Å |
| 175 | L | 92.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -59 | -29.5 | 168.3 | -66 | 175.8 | 0 | 0 | 0 | 112.7 | V123 L124 G171 L172 R173 D177 L180 Q181 S184 | V123-L175 HydrophobicContact CG1-CD2 4.17Å; V123-L175 WeakPolarHBondContact O-CD2 3.21Å; L124-L175 HydrophobicContact CD2-CD2 4.16Å; G171-L175 PolarHBondContact O-N 3.1Å; L172-L175 HydrophobicContact CD1-CD1 4.1Å; R173-L175 VanDerWaalsContact C-N 3.33Å; R173-L175 PolarHBondContact O-N 3.28Å; L175-D177 PolarHBondContact O-N 3Å; L175-L180 HydrophobicContact CB-CB 4.34Å; L175-L180 HydrophobicContact CD1-CB 4.31Å; L175-Q181 HydrophobicContact CB-CG 4.27Å; L175-Q181 HydrophobicContact CD1-CG 4.16Å; L175-S184 VanDerWaalsContact CD1-OG 3.27Å; L175-S184 WeakPolarHBondContact CD1-OG 3.43Å |
| 176 | G | 91 | Very high | 93.6 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | trans | 64 | 19.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | D174 N278 G280 | D174-G176 PolarHBondContact O-N 3.42Å; G176-N278 CarbonylContact O-C 3.6Å; G176-G280 PolarHBondContact O-N 2.68Å; G176-G280 VanDerWaalsContact O-N 3.07Å | ||
| 177 | D | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -147.6 | 126.2 | 179.6 | -174.2 | -74.4 | 0 | 0 | 0 | 110.4 | L175 D179 L180 Q181 I245 N278 T281 R283 | L175-D177 PolarHBondContact O-N 3Å; D177-D179 WeakPolarHBondContact OD1-CB 3.46Å; D177-D179 PolarHBondContact OD1-N 2.79Å; D177-D179 VanDerWaalsContact OD1-N 3.08Å; D177-L180 HydrophobicContact CB-CB 4.02Å; D177-L180 HydrophobicContact CB-CD1 3.91Å; D177-L180 HydrophobicContact CB-CG 3.92Å; D177-L180 PolarHBondContact O-N 3.47Å; D177-L180 PolarHBondContact OD1-N 2.87Å; D177-Q181 PolarHBondContact O-N 3.28Å; D177-I245 VanDerWaalsContact C-CD1 3.44Å; D177-N278 WeakPolarHBondContact CA-OD1 3.44Å; D177-N278 HydrophobicContact CB-CB 4.39Å; D177-T281 HydrophobicContact CB-CG2 3.68Å; D177-T281 WeakPolarHBondContact OD2-CB 3.14Å; D177-T281 WeakPolarHBondContact OD2-CG2 3.43Å; D177-T281 PolarHBondContact OD2-OG1 3.3Å; D177-R283 IonicContact OD1-CZ 3.32Å; D177-R283 IonicContact OD1-NH2 2.72Å; D177-R283 PolarHBondContact OD1-NH2 2.85Å; D177-R283 IonicContact OD2-CZ 3.06Å; D177-R283 IonicContact OD2-NE 2.84Å; D177-R283 PolarHBondContact OD2-NE 3.28Å; D177-R283 IonicContact OD2-NH2 3.92Å; D177-R283 PolarHBondContact OD2-NH2 2.69Å | ||
| 178 | F | 94.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 10.3 Ų | 10.3 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | -174.6 | -171.6 | -81.6 | 0 | 0 | 0 | 111.7 | L180 Q181 A182 R229 L232 I245 D276 N278 Y287 | F178-L180 VanDerWaalsContact C-N 3.33Å; F178-L180 PolarHBondContact O-N 3.05Å; F178-Q181 PolarHBondContact O-N 2.85Å; F178-A182 HydrophobicContact CE1-CB 4.24Å; F178-A182 PolarHBondContact O-N 3.42Å; F178-R229 VanDerWaalsContact CE1-CZ 3.43Å; F178-R229 VanDerWaalsContact CE1-NH2 3.3Å; F178-R229 VanDerWaalsContact CZ-NE 3.31Å; F178-L232 HydrophobicContact CD2-CB 4.41Å; F178-L232 HydrophobicContact CE1-CD1 4.3Å; F178-L232 HydrophobicContact CE2-CB 3.53Å; F178-L232 HydrophobicContact CE2-CD1 3.91Å; F178-L232 HydrophobicContact CE2-CG 4.4Å; F178-L232 HydrophobicContact CZ-CB 3.95Å; F178-L232 HydrophobicContact CZ-CD1 3.74Å; F178-I245 HydrophobicContact CB-CD1 4.33Å; F178-I245 HydrophobicContact CB-CG2 4.24Å; F178-D276 HydrophobicContact CB-CB 4.06Å; F178-N278 PolarHBondContact N-OD1 3.1Å; F178-Y287 HydrophobicContact CD1-CE2 4.32Å |
| 179 | D | 91.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 179.4 | -54.6 | -21 | 0 | 0 | 0 | 110 | F134 D177 H183 R283 Y287 | F134-D179 HydrophobicContact CE1-CB 3.74Å; F134-D179 HydrophobicContact CZ-CB 3.58Å; D177-D179 WeakPolarHBondContact OD1-CB 3.46Å; D177-D179 PolarHBondContact OD1-N 2.79Å; D177-D179 VanDerWaalsContact OD1-N 3.08Å; D179-H183 PolarHBondContact O-N 3.38Å; D179-H183 PolarHBondContact O-ND1 3.36Å; D179-R283 IonicContact OD2-CZ 2.71Å; D179-R283 VanDerWaalsContact OD2-CZ 3.32Å; D179-R283 IonicContact OD2-NH1 2.77Å; D179-R283 PolarHBondContact OD2-NH1 3.46Å; D179-R283 IonicContact OD2-NH2 3.18Å; D179-R283 PolarHBondContact OD2-NH2 3.13Å; D179-Y287 PolarHBondContact OD1-OH 3.46Å |
| 180 | L | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 171.8 | -70.9 | -177.5 | 0 | 0 | 0 | 111.3 | L130 R133 F134 L137 L175 D177 F178 A182 H183 S184 | L130-L180 HydrophobicContact CD1-CD1 3.83Å; L130-L180 HydrophobicContact CD1-CD2 4.29Å; L130-L180 HydrophobicContact CD1-CG 4.13Å; R133-L180 HydrophobicContact CB-CD2 4.01Å; F134-L180 HydrophobicContact CD1-CD2 3.97Å; F134-L180 HydrophobicContact CD2-CD2 3.95Å; F134-L180 HydrophobicContact CE1-CD2 3.65Å; F134-L180 HydrophobicContact CE1-CG 4.18Å; F134-L180 HydrophobicContact CE2-CD2 3.65Å; F134-L180 HydrophobicContact CE2-CG 4.01Å; F134-L180 HydrophobicContact CG-CD2 4.09Å; F134-L180 HydrophobicContact CZ-CB 4.41Å; F134-L180 HydrophobicContact CZ-CD2 3.44Å; F134-L180 VanDerWaalsContact CZ-CD2 3.44Å; F134-L180 HydrophobicContact CZ-CG 3.63Å; L137-L180 HydrophobicContact CD1-CB 4.48Å; L137-L180 HydrophobicContact CD1-CD2 3.64Å; L175-L180 HydrophobicContact CB-CB 4.34Å; L175-L180 HydrophobicContact CD1-CB 4.31Å; D177-L180 HydrophobicContact CB-CB 4.02Å; D177-L180 HydrophobicContact CB-CD1 3.91Å; D177-L180 HydrophobicContact CB-CG 3.92Å; D177-L180 PolarHBondContact O-N 3.47Å; D177-L180 PolarHBondContact OD1-N 2.87Å; F178-L180 VanDerWaalsContact C-N 3.33Å; F178-L180 PolarHBondContact O-N 3.05Å; L180-A182 PolarHBondContact O-N 3.11Å; L180-H183 PolarHBondContact O-N 3.36Å; L180-S184 WeakPolarHBondContact O-CB 3.33Å; L180-S184 PolarHBondContact O-N 3.13Å; L180-S184 PolarHBondContact O-OG 3.29Å |
| 181 | Q | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.4 | -81.9 | -174.4 | -10.8 | 0 | 0 | 113.1 | L172 R173 L175 D177 F178 S184 S185 L232 N236 I245 | L172-Q181 HydrophobicContact CD1-CB 4.43Å; L172-Q181 HydrophobicContact CD1-CG 4.29Å; L172-Q181 VanDerWaalsContact O-CG 3.27Å; L172-Q181 WeakPolarHBondContact O-CG 3.3Å; L172-Q181 PolarHBondContact O-NE2 2.71Å; R173-Q181 PolarHBondContact O-NE2 2.75Å; L175-Q181 HydrophobicContact CB-CG 4.27Å; L175-Q181 HydrophobicContact CD1-CG 4.16Å; D177-Q181 PolarHBondContact O-N 3.28Å; F178-Q181 PolarHBondContact O-N 2.85Å; Q181-S184 PolarHBondContact O-N 3.17Å; Q181-S185 WeakPolarHBondContact O-CB 3.43Å; Q181-S185 PolarHBondContact O-N 3.28Å; Q181-S185 PolarHBondContact O-OG 3Å; Q181-L232 HydrophobicContact CB-CD1 3.72Å; Q181-L232 HydrophobicContact CB-CD2 3.85Å; Q181-L232 HydrophobicContact CB-CG 4.42Å; Q181-L232 HydrophobicContact CG-CD2 4.4Å; Q181-N236 PolarHBondContact NE2-OD1 2.85Å; Q181-N236 PolarHBondContact OE1-ND2 3.35Å; Q181-N236 PolarHBondContact OE1-OD1 2.93Å; Q181-I245 HydrophobicContact CG-CD1 4.08Å |
| 182 | A | 92.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 8.1 Ų | 8.1 | 7% | 0.066 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F178 L180 S184 S185 A186 V228 L232 | F178-A182 HydrophobicContact CE1-CB 4.24Å; F178-A182 PolarHBondContact O-N 3.42Å; L180-A182 PolarHBondContact O-N 3.11Å; A182-S184 VanDerWaalsContact C-N 3.27Å; A182-S184 PolarHBondContact O-N 3.06Å; A182-S185 PolarHBondContact O-N 3.02Å; A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.05Å; A182-V228 HydrophobicContact CB-CG1 4.18Å; A182-L232 HydrophobicContact CB-CD1 4.15Å |
| 183 | H | 90.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 9 Ų | 9 | 9% | 0.088 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.9 | -30.3 | 175.8 | -72.1 | 81.7 | 0 | 0 | 0 | 112.9 | L137 N141 D179 L180 L187 | L137-H183 HydrophobicContact CB-CB 4.14Å; L137-H183 HydrophobicContact CD1-CB 3.93Å; L137-H183 HydrophobicContact CG-CB 4.44Å; N141-H183 PolarHBondContact ND2-O 2.96Å; D179-H183 PolarHBondContact O-N 3.38Å; D179-H183 PolarHBondContact O-ND1 3.36Å; L180-H183 PolarHBondContact O-N 3.36Å; H183-L187 VanDerWaalsContact O-CB 3.3Å; H183-L187 WeakPolarHBondContact O-CB 3.4Å; H183-L187 PolarHBondContact O-N 2.87Å |
| 184 | S | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -77.4 | -36.5 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | F168 L175 L180 Q181 A182 L187 L188 | F168-S184 WeakPolarHBondContact CZ-OG 3.44Å; L175-S184 VanDerWaalsContact CD1-OG 3.27Å; L175-S184 WeakPolarHBondContact CD1-OG 3.43Å; L180-S184 WeakPolarHBondContact O-CB 3.33Å; L180-S184 PolarHBondContact O-N 3.13Å; L180-S184 PolarHBondContact O-OG 3.29Å; Q181-S184 PolarHBondContact O-N 3.17Å; A182-S184 VanDerWaalsContact C-N 3.27Å; A182-S184 PolarHBondContact O-N 3.06Å; S184-L187 WeakPolarHBondContact O-CB 3.43Å; S184-L187 PolarHBondContact O-N 3.01Å; S184-L188 WeakPolarHBondContact O-CG 3.33Å; S184-L188 PolarHBondContact O-N 3.06Å |
| 185 | S | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 173.1 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | Q181 A182 L187 L188 L189 | Q181-S185 WeakPolarHBondContact O-CB 3.43Å; Q181-S185 PolarHBondContact O-N 3.28Å; Q181-S185 PolarHBondContact O-OG 3Å; A182-S185 PolarHBondContact O-N 3.02Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.28Å; S185-L188 PolarHBondContact O-N 3.28Å; S185-L189 WeakPolarHBondContact O-CG 3.47Å; S185-L189 PolarHBondContact O-N 2.8Å |
| 186 | A | 91.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A182 R190 F224 I775 Y779 | A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.05Å; A186-R190 WeakPolarHBondContact O-CG 3.44Å; A186-R190 PolarHBondContact O-N 3.4Å; A186-F224 HydrophobicContact CB-CZ 3.92Å; A186-I775 HydrophobicContact CB-CG2 3.83Å; A186-Y779 WeakPolarHBondContact CA-OH 3.43Å; A186-Y779 HydrophobicContact CB-CE2 4.37Å; A186-Y779 PolarHBondContact O-OH 2.88Å |
| 187 | L | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -45.6 | 174.6 | 178.8 | 56.9 | 0 | 0 | 0 | 112.2 | L120 L137 L140 N141 L144 F168 H183 S184 S185 R190 L191 | L120-L187 HydrophobicContact CD2-CD2 3.81Å; L137-L187 HydrophobicContact CD2-CD2 3.62Å; L140-L187 HydrophobicContact CB-CD1 3.88Å; L140-L187 HydrophobicContact CB-CD2 4.25Å; L140-L187 HydrophobicContact CD1-CD1 4.43Å; L140-L187 HydrophobicContact CD1-CD2 3.65Å; N141-L187 WeakPolarHBondContact OD1-CA 3.27Å; N141-L187 PolarHBondContact OD1-N 3.42Å; L144-L187 HydrophobicContact CD1-CD1 3.26Å; F168-L187 HydrophobicContact CE1-CB 4.48Å; F168-L187 HydrophobicContact CE1-CD2 3.81Å; F168-L187 HydrophobicContact CE1-CG 4.26Å; F168-L187 HydrophobicContact CZ-CD2 3.98Å; H183-L187 VanDerWaalsContact O-CB 3.3Å; H183-L187 WeakPolarHBondContact O-CB 3.4Å; H183-L187 PolarHBondContact O-N 2.87Å; S184-L187 WeakPolarHBondContact O-CB 3.43Å; S184-L187 PolarHBondContact O-N 3.01Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.28Å; L187-R190 PolarHBondContact O-N 2.92Å; L187-R190 VanDerWaalsContact O-N 3.13Å; L187-L191 HydrophobicContact CD1-CD1 3.64Å; L187-L191 HydrophobicContact CD1-CG 4.15Å; L187-L191 HydrophobicContact CG-CD1 3.83Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 2.96Å |
| 188 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 176.2 | -75 | 167.9 | 0 | 0 | 0 | 111.7 | I165 F168 L172 S184 S185 R190 L191 V192 F200 I205 F216 | I165-L188 HydrophobicContact CG2-CD2 3.97Å; F168-L188 HydrophobicContact CD1-CD1 4.43Å; F168-L188 HydrophobicContact CD1-CD2 3.77Å; F168-L188 HydrophobicContact CD1-CG 3.92Å; F168-L188 HydrophobicContact CE1-CD2 4.48Å; F168-L188 HydrophobicContact CE1-CG 4.16Å; L172-L188 HydrophobicContact CD1-CD1 4.39Å; L172-L188 HydrophobicContact CD2-CD1 4.2Å; S184-L188 WeakPolarHBondContact O-CG 3.33Å; S184-L188 PolarHBondContact O-N 3.06Å; S185-L188 PolarHBondContact O-N 3.28Å; L188-R190 PolarHBondContact O-N 3.03Å; L188-R190 VanDerWaalsContact O-N 3.14Å; L188-L191 PolarHBondContact O-N 2.89Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L188-V192 WeakPolarHBondContact O-CB 3.2Å; L188-V192 WeakPolarHBondContact O-CG2 3.45Å; L188-V192 PolarHBondContact O-N 3.45Å; L188-F200 HydrophobicContact CD1-CE1 4.49Å; L188-F200 HydrophobicContact CD2-CE1 3.86Å; L188-F200 HydrophobicContact CD2-CZ 3.71Å; L188-I205 HydrophobicContact CD1-CD1 4.46Å; L188-F216 HydrophobicContact CB-CE2 4.33Å; L188-F216 HydrophobicContact CB-CZ 3.97Å |
| 189 | L | 93.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -14.6 | 176.8 | -70 | 168.7 | 0 | 0 | 0 | 113.9 | S185 Q197 F216 I219 F224 Y779 | S185-L189 WeakPolarHBondContact O-CG 3.47Å; S185-L189 PolarHBondContact O-N 2.8Å; L189-Q197 PolarHBondContact O-NE2 3.32Å; L189-F216 HydrophobicContact CD2-CD1 4.33Å; L189-F216 HydrophobicContact CD2-CD2 4.28Å; L189-F216 HydrophobicContact CD2-CE1 3.86Å; L189-F216 HydrophobicContact CD2-CE2 3.8Å; L189-F216 HydrophobicContact CD2-CZ 3.57Å; L189-F216 HydrophobicContact CG-CE2 3.84Å; L189-F216 HydrophobicContact CG-CZ 3.86Å; L189-I219 HydrophobicContact CD1-CB 3.82Å; L189-I219 HydrophobicContact CD1-CD1 4.05Å; L189-I219 HydrophobicContact CD1-CG2 3.54Å; L189-F224 HydrophobicContact CD1-CE2 3.87Å; L189-Y779 HydrophobicContact CB-CE1 4.31Å; L189-Y779 WeakPolarHBondContact CB-OH 3.43Å |
| 190 | R | 91.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -92.2 | -32.1 | 171 | -71.6 | 177.1 | 177.4 | 98.5 | 15.8 | 113.2 | N141 L144 R152 A186 L187 L188 S778 | N141-R190 PolarHBondContact OD1-NH1 3.37Å; L144-R190 HydrophobicContact CB-CB 4.22Å; L144-R190 HydrophobicContact CD1-CB 4.23Å; R152-R190 WeakPolarHBondContact CD-O 3.48Å; R152-R190 PolarHBondContact NE-O 2.85Å; A186-R190 WeakPolarHBondContact O-CG 3.44Å; A186-R190 PolarHBondContact O-N 3.4Å; L187-R190 PolarHBondContact O-N 2.92Å; L187-R190 VanDerWaalsContact O-N 3.13Å; L188-R190 PolarHBondContact O-N 3.03Å; L188-R190 VanDerWaalsContact O-N 3.14Å; R190-S778 VanDerWaalsContact NH2-C 3.3Å; R190-S778 PolarHBondContact NH2-O 3.44Å; R190-S778 PolarHBondContact NH2-OG 2.8Å |
| 191 | L | 94.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -89.6 | -27.5 | -175.9 | -72 | 171.7 | 0 | 0 | 0 | 114.1 | L116 L144 L155 I165 L187 L188 | L116-L191 HydrophobicContact CD1-CD1 4.16Å; L116-L191 HydrophobicContact CD2-CD1 4.21Å; L116-L191 HydrophobicContact CD2-CD2 3.97Å; L144-L191 HydrophobicContact CD1-CD1 4.39Å; L144-L191 HydrophobicContact CD1-CD2 3.83Å; L144-L191 HydrophobicContact CD1-CG 3.89Å; L144-L191 HydrophobicContact CD2-CD2 3.78Å; L144-L191 HydrophobicContact CG-CD2 4.48Å; L155-L191 HydrophobicContact CB-CD2 4.5Å; L155-L191 HydrophobicContact CD1-CD2 4.02Å; I165-L191 HydrophobicContact CD1-CB 4.08Å; I165-L191 HydrophobicContact CD1-CD1 4.46Å; I165-L191 HydrophobicContact CD1-CD2 4.41Å; I165-L191 HydrophobicContact CG1-CB 4.37Å; I165-L191 HydrophobicContact CG1-CD1 4.14Å; I165-L191 HydrophobicContact CG2-CB 4.26Å; L187-L191 HydrophobicContact CD1-CD1 3.64Å; L187-L191 HydrophobicContact CD1-CG 4.15Å; L187-L191 HydrophobicContact CG-CD1 3.83Å; L187-L191 WeakPolarHBondContact O-CG 3.43Å; L187-L191 PolarHBondContact O-N 2.96Å; L188-L191 PolarHBondContact O-N 2.89Å; L188-L191 VanDerWaalsContact O-N 3.09Å |
| 192 | V | 94.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -96.1 | 120.5 | 179.9 | -177 | 0 | 0 | 0 | 0 | 109.6 | W156 I165 L188 I196 Q197 F200 | W156-V192 HydrophobicContact CE3-CG2 4.34Å; W156-V192 HydrophobicContact CZ3-CG2 3.93Å; I165-V192 HydrophobicContact CG2-CG2 3.93Å; L188-V192 WeakPolarHBondContact O-CB 3.2Å; L188-V192 WeakPolarHBondContact O-CG2 3.45Å; L188-V192 PolarHBondContact O-N 3.45Å; V192-I196 HydrophobicContact CG1-CD1 4.24Å; V192-I196 HydrophobicContact CG1-CG1 3.96Å; V192-Q197 HydrophobicContact CB-CG 4.09Å; V192-Q197 HydrophobicContact CG1-CG 3.77Å; V192-Q197 PolarHBondContact O-NE2 3.32Å; V192-F200 HydrophobicContact CG1-CB 3.82Å; V192-F200 HydrophobicContact CG1-CD1 4.47Å; V192-F200 HydrophobicContact CG1-CD2 4.17Å; V192-F200 HydrophobicContact CG1-CG 3.9Å; V192-F200 HydrophobicContact CG2-CD1 4.03Å; V192-F200 HydrophobicContact CG2-CD2 3.85Å; V192-F200 HydrophobicContact CG2-CE1 4.05Å; V192-F200 HydrophobicContact CG2-CE2 3.87Å; V192-F200 HydrophobicContact CG2-CG 3.94Å; V192-F200 HydrophobicContact CG2-CZ 3.98Å |
| 193 | P | 93.7 | Very high | 93.6 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | trans | -56.3 | 139.8 | 175.3 | -25.1 | 33.7 | 0 | 0 | 0 | 112.4 | N153 W156 E195 I196 Q197 | N153-P193 WeakPolarHBondContact OD1-CG 3.42Å; W156-P193 HydrophobicContact CB-CG 3.84Å; W156-P193 HydrophobicContact CD2-CG 4.35Å; W156-P193 HydrophobicContact CG-CG 3.65Å; P193-E195 WeakPolarHBondContact CB-OE2 3.47Å; P193-E195 PolarHBondContact O-N 3.05Å; P193-I196 HydrophobicContact CB-CG1 4.32Å; P193-I196 VanDerWaalsContact O-CG1 3.24Å; P193-I196 WeakPolarHBondContact O-CG1 3.44Å; P193-I196 PolarHBondContact O-N 3.44Å; P193-I196 VanDerWaalsContact O-N 3.12Å; P193-Q197 PolarHBondContact O-N 3.36Å | ||
| 194 | R | 91.3 | Very high | 93.8 | Very high | 152 Ų | 152 | 42.1 Ų | 42.1 | 57% | 0.574 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -60.5 | -35.1 | -166 | -166.5 | 177.3 | -170.8 | -177.6 | 2.9 | 112.7 | I196 Q197 | R194-I196 PolarHBondContact O-N 3.4Å; R194-Q197 PolarHBondContact O-N 3.1Å |
| 195 | E | 90.7 | Very high | 93.5 | Very high | 156 Ų | 156 | 42.9 Ų | 42.9 | 73% | 0.729 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -61.3 | -26 | -176.6 | -56.6 | 66.6 | -139.3 | 0 | 0 | 112 | P193 | P193-E195 WeakPolarHBondContact CB-OE2 3.47Å; P193-E195 PolarHBondContact O-N 3.05Å |
| 196 | I | 93 | Very high | 92.9 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -116.5 | 2.4 | -177.9 | 64.2 | 164 | 0 | 0 | 0 | 113.8 | W156 V192 P193 R194 R198 Q199 F200 | W156-I196 HydrophobicContact CD2-CD1 4.23Å; W156-I196 HydrophobicContact CH2-CD1 4.24Å; W156-I196 HydrophobicContact CZ2-CD1 3.33Å; W156-I196 VanDerWaalsContact NE1-CD1 3.31Å; V192-I196 HydrophobicContact CG1-CD1 4.24Å; V192-I196 HydrophobicContact CG1-CG1 3.96Å; P193-I196 HydrophobicContact CB-CG1 4.32Å; P193-I196 VanDerWaalsContact O-CG1 3.24Å; P193-I196 WeakPolarHBondContact O-CG1 3.44Å; P193-I196 PolarHBondContact O-N 3.44Å; P193-I196 VanDerWaalsContact O-N 3.12Å; R194-I196 PolarHBondContact O-N 3.4Å; I196-R198 PolarHBondContact O-N 3.19Å; I196-Q199 PolarHBondContact O-N 2.89Å; I196-F200 WeakPolarHBondContact O-CB 3.4Å; I196-F200 PolarHBondContact O-N 3Å |
| 197 | Q | 94.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -38.3 | -177.1 | -80.7 | 172.7 | -3.1 | 0 | 0 | 112.6 | L189 V192 P193 R194 F200 A201 F216 | L189-Q197 PolarHBondContact O-NE2 3.32Å; V192-Q197 HydrophobicContact CB-CG 4.09Å; V192-Q197 HydrophobicContact CG1-CG 3.77Å; V192-Q197 PolarHBondContact O-NE2 3.32Å; P193-Q197 PolarHBondContact O-N 3.36Å; R194-Q197 PolarHBondContact O-N 3.1Å; Q197-F200 PolarHBondContact O-N 3.38Å; Q197-A201 WeakPolarHBondContact O-CB 3.44Å; Q197-A201 PolarHBondContact O-N 3.26Å; Q197-F216 HydrophobicContact CB-CD1 4.11Å; Q197-F216 HydrophobicContact CB-CE1 3.94Å; Q197-F216 HydrophobicContact CG-CE1 4.07Å; Q197-F216 WeakPolarHBondContact O-CD1 3.32Å |
| 198 | R | 93.9 | Very high | 91.4 | Very high | 139 Ų | 139 | 59.1 Ų | 59.1 | 53% | 0.525 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 174.2 | -169.5 | 174.7 | 179.1 | -172.7 | 3 | 112.1 | I196 A201 S202 A213 | I196-R198 PolarHBondContact O-N 3.19Å; R198-A201 PolarHBondContact O-N 2.96Å; R198-S202 PolarHBondContact O-N 3.48Å; R198-S202 VanDerWaalsContact O-N 3.07Å; R198-S202 PolarHBondContact O-OG 3.28Å; R198-A213 HydrophobicContact CG-CB 4.35Å |
| 199 | Q | 93.6 | Very high | 90.6 | Very high | 127 Ų | 127 | 61.7 Ų | 61.7 | 59% | 0.593 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 177.6 | -171.7 | -177 | 17.2 | 0 | 0 | 110.7 | I196 A201 S202 T203 | I196-Q199 PolarHBondContact O-N 2.89Å; Q199-A201 PolarHBondContact O-N 3.06Å; Q199-S202 WeakPolarHBondContact CA-OG 3.44Å; Q199-S202 PolarHBondContact O-N 3.3Å; Q199-S202 PolarHBondContact O-OG 3.15Å; Q199-T203 WeakPolarHBondContact O-CB 3.45Å; Q199-T203 PolarHBondContact O-N 2.81Å; Q199-T203 PolarHBondContact O-OG1 3.05Å |
| 200 | F | 95.4 | Very high | 90 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.1 | -51.2 | 176.6 | 178.7 | -89.8 | 0 | 0 | 0 | 111.7 | W156 I165 L188 V192 I196 Q197 S202 T203 Y204 I205 F216 | W156-F200 AromaticContact CH2-CD2 3.69Å; W156-F200 HydrophobicContact CH2-CD2 3.69Å; W156-F200 AromaticContact CH2-CE2 3.98Å; W156-F200 HydrophobicContact CH2-CE2 3.98Å; W156-F200 HydrophobicContact CZ3-CD2 4.08Å; W156-F200 HydrophobicContact CZ3-CE2 4.05Å; I165-F200 HydrophobicContact CG2-CE2 4.12Å; I165-F200 HydrophobicContact CG2-CZ 4.19Å; L188-F200 HydrophobicContact CD1-CE1 4.49Å; L188-F200 HydrophobicContact CD2-CE1 3.86Å; L188-F200 HydrophobicContact CD2-CZ 3.71Å; V192-F200 HydrophobicContact CG1-CB 3.82Å; V192-F200 HydrophobicContact CG1-CD1 4.47Å; V192-F200 HydrophobicContact CG1-CD2 4.17Å; V192-F200 HydrophobicContact CG1-CG 3.9Å; V192-F200 HydrophobicContact CG2-CD1 4.03Å; V192-F200 HydrophobicContact CG2-CD2 3.85Å; V192-F200 HydrophobicContact CG2-CE1 4.05Å; V192-F200 HydrophobicContact CG2-CE2 3.87Å; V192-F200 HydrophobicContact CG2-CG 3.94Å; V192-F200 HydrophobicContact CG2-CZ 3.98Å; I196-F200 WeakPolarHBondContact O-CB 3.4Å; I196-F200 PolarHBondContact O-N 3Å; Q197-F200 PolarHBondContact O-N 3.38Å; F200-S202 PolarHBondContact O-N 3.35Å; F200-T203 PolarHBondContact O-N 3.27Å; F200-T203 VanDerWaalsContact O-N 3.13Å; F200-Y204 AromaticContact CD2-CD2 3.56Å; F200-Y204 HydrophobicContact CD2-CD2 3.56Å; F200-Y204 HydrophobicContact CD2-CE2 4.16Å; F200-Y204 AromaticContact CE2-CD2 3.71Å; F200-Y204 HydrophobicContact CE2-CD2 3.71Å; F200-Y204 HydrophobicContact CE2-CE2 4.42Å; F200-Y204 HydrophobicContact CE2-CG 4.33Å; F200-Y204 HydrophobicContact CG-CD2 4.18Å; F200-Y204 HydrophobicContact CZ-CD2 4.42Å; F200-Y204 PolarHBondContact O-N 3.07Å; F200-I205 HydrophobicContact CD1-CD1 4.21Å; F200-I205 HydrophobicContact CD1-CG1 4.35Å; F200-I205 HydrophobicContact CE1-CD1 4.06Å; F200-I205 HydrophobicContact CE1-CG1 4.03Å; F200-F216 HydrophobicContact CD1-CE1 4.26Å |
| 201 | A | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -61.4 | -44.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q197 R198 Q199 T203 I205 I206 A213 F216 | Q197-A201 WeakPolarHBondContact O-CB 3.44Å; Q197-A201 PolarHBondContact O-N 3.26Å; R198-A201 PolarHBondContact O-N 2.96Å; Q199-A201 PolarHBondContact O-N 3.06Å; A201-T203 PolarHBondContact O-N 2.83Å; A201-I205 HydrophobicContact CB-CB 4.49Å; A201-I205 HydrophobicContact CB-CD1 4Å; A201-I205 HydrophobicContact CB-CG1 4.46Å; A201-I205 PolarHBondContact O-N 3.4Å; A201-I206 PolarHBondContact O-N 3.15Å; A201-A213 HydrophobicContact CB-CB 3.96Å; A201-F216 HydrophobicContact CB-CB 3.85Å; A201-F216 HydrophobicContact CB-CD1 3.72Å; A201-F216 HydrophobicContact CB-CG 3.96Å |
| 202 | S | 92.2 | Very high | 89.3 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 30% | 0.301 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -69.2 | -12.5 | 176 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | R198 Q199 F200 R207 | R198-S202 PolarHBondContact O-N 3.48Å; R198-S202 VanDerWaalsContact O-N 3.07Å; R198-S202 PolarHBondContact O-OG 3.28Å; Q199-S202 WeakPolarHBondContact CA-OG 3.44Å; Q199-S202 PolarHBondContact O-N 3.3Å; Q199-S202 PolarHBondContact O-OG 3.15Å; F200-S202 PolarHBondContact O-N 3.35Å; S202-R207 WeakPolarHBondContact O-CA 3.36Å |
| 203 | T | 93.2 | Very high | 89.1 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -102.2 | -40.1 | 179.8 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | Q199 F200 A201 | Q199-T203 WeakPolarHBondContact O-CB 3.45Å; Q199-T203 PolarHBondContact O-N 2.81Å; Q199-T203 PolarHBondContact O-OG1 3.05Å; F200-T203 PolarHBondContact O-N 3.27Å; F200-T203 VanDerWaalsContact O-N 3.13Å; A201-T203 PolarHBondContact O-N 2.83Å |
| 204 | Y | 93.8 | Very high | 89 | Confident | 98 Ų | 98 | 71.3 Ų | 71.3 | 38% | 0.384 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -120.3 | -30.6 | -166.7 | -61.6 | -64.8 | 0 | 0 | 0 | 114.7 | S166 G169 A170 F200 | S166-Y204 WeakPolarHBondContact OG-CD2 3.32Å; S166-Y204 WeakPolarHBondContact OG-CE2 3.26Å; G169-Y204 CarbonylContact C-O 3.55Å; A170-Y204 WeakPolarHBondContact CA-O 3.44Å; A170-Y204 WeakPolarHBondContact CB-O 3.47Å; A170-Y204 PolarHBondContact N-O 2.91Å; F200-Y204 AromaticContact CD2-CD2 3.56Å; F200-Y204 HydrophobicContact CD2-CD2 3.56Å; F200-Y204 HydrophobicContact CD2-CE2 4.16Å; F200-Y204 AromaticContact CE2-CD2 3.71Å; F200-Y204 HydrophobicContact CE2-CD2 3.71Å; F200-Y204 HydrophobicContact CE2-CE2 4.42Å; F200-Y204 HydrophobicContact CE2-CG 4.33Å; F200-Y204 HydrophobicContact CG-CD2 4.18Å; F200-Y204 HydrophobicContact CZ-CD2 4.42Å; F200-Y204 PolarHBondContact O-N 3.07Å |
| 205 | I | 91.5 | Very high | 89 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -84.1 | -64.8 | -176.5 | -61.1 | 178.9 | 0 | 0 | 0 | 109.7 | L172 L188 F200 A201 F216 F231 V235 | L172-I205 HydrophobicContact CD2-CD1 4.36Å; L172-I205 HydrophobicContact CD2-CG2 4.11Å; L188-I205 HydrophobicContact CD1-CD1 4.46Å; F200-I205 HydrophobicContact CD1-CD1 4.21Å; F200-I205 HydrophobicContact CD1-CG1 4.35Å; F200-I205 HydrophobicContact CE1-CD1 4.06Å; F200-I205 HydrophobicContact CE1-CG1 4.03Å; A201-I205 HydrophobicContact CB-CB 4.49Å; A201-I205 HydrophobicContact CB-CD1 4Å; A201-I205 HydrophobicContact CB-CG1 4.46Å; A201-I205 PolarHBondContact O-N 3.4Å; I205-F216 HydrophobicContact CD1-CD1 4.39Å; I205-F216 HydrophobicContact CD1-CD2 3.92Å; I205-F216 HydrophobicContact CD1-CE1 4.37Å; I205-F216 HydrophobicContact CD1-CE2 3.9Å; I205-F216 HydrophobicContact CD1-CG 4.17Å; I205-F216 HydrophobicContact CD1-CZ 4.13Å; I205-F231 HydrophobicContact CD1-CZ 4.11Å; I205-F231 HydrophobicContact CG2-CE2 4.48Å; I205-F231 HydrophobicContact CG2-CZ 4.15Å; I205-V235 HydrophobicContact CG2-CG2 4.31Å |
| 206 | I | 82 | Confident | 89.1 | Confident | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | trans | -145.7 | 122.2 | 174 | -67.7 | -173.6 | 0 | 0 | 0 | 107.2 | A201 F209 I212 V235 V238 | A201-I206 PolarHBondContact O-N 3.15Å; I206-F209 HydrophobicContact CG2-CB 4.01Å; I206-F209 HydrophobicContact CG2-CD2 3.61Å; I206-F209 HydrophobicContact CG2-CG 4.27Å; I206-I212 HydrophobicContact CB-CD1 4.42Å; I206-I212 HydrophobicContact CD1-CD1 3.82Å; I206-I212 HydrophobicContact CG2-CD1 4.28Å; I206-V235 HydrophobicContact CD1-CB 4.29Å; I206-V235 HydrophobicContact CD1-CG1 4.12Å; I206-V235 HydrophobicContact CD1-CG2 4.26Å; I206-V238 HydrophobicContact CD1-CB 4.22Å; I206-V238 HydrophobicContact CD1-CG2 3.77Å | ||
| 207 | R | 79.6 | Confident | 89.1 | Confident | 194 Ų | 194 | 57.9 Ų | 57.9 | 73% | 0.732 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -87.2 | -26.5 | -172.4 | -179.1 | -179.9 | 179.3 | -172 | -0.4 | 112.4 | S202 | S202-R207 WeakPolarHBondContact O-CA 3.36Š|
| 208 | E | 76.3 | Confident | 88.9 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -86 | -12.8 | -167.9 | -58.5 | 69.5 | -152.9 | 0 | 0 | 113 | ||
| 209 | F | 78.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | trans | -128.7 | 89.8 | -170.8 | -67.4 | -91.1 | 0 | 0 | 0 | 112 | I206 T211 I212 V238 | I206-F209 HydrophobicContact CG2-CB 4.01Å; I206-F209 HydrophobicContact CG2-CD2 3.61Å; I206-F209 HydrophobicContact CG2-CG 4.27Å; F209-T211 PolarHBondContact O-N 3.21Å; F209-T211 VanDerWaalsContact O-N 3.11Å; F209-I212 HydrophobicContact CB-CB 4.43Å; F209-I212 HydrophobicContact CB-CD1 3.79Å; F209-I212 HydrophobicContact CB-CG1 3.97Å; F209-I212 HydrophobicContact CG-CD1 4.33Å; F209-I212 PolarHBondContact O-N 2.82Å; F209-I212 VanDerWaalsContact O-N 3.11Å; F209-V238 HydrophobicContact CD2-CG1 4Å; F209-V238 HydrophobicContact CD2-CG2 3.8Å; F209-V238 HydrophobicContact CE2-CB 4.31Å; F209-V238 HydrophobicContact CE2-CG1 3.43Å; F209-V238 VanDerWaalsContact CE2-CG1 3.43Å; F209-V238 HydrophobicContact CE2-CG2 3.92Å; F209-V238 HydrophobicContact CG-CG2 4.17Å; F209-V238 HydrophobicContact CZ-CG1 4.05Å; F209-V238 HydrophobicContact CZ-CG2 4.36Å | ||
| 210 | P | 81.5 | Confident | 88.2 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 61% | 0.61 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.3 | -20.9 | -178.8 | -26.8 | 36 | 0 | 0 | 0 | 115.3 | A213 Q214 | P210-A213 PolarHBondContact O-N 3.42Å; P210-Q214 PolarHBondContact O-N 3.28Å |
| 211 | T | 85.3 | Confident | 87.4 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 49% | 0.485 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 173.6 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | F209 A213 Q214 E215 | F209-T211 PolarHBondContact O-N 3.21Å; F209-T211 VanDerWaalsContact O-N 3.11Å; T211-A213 PolarHBondContact O-N 2.99Å; T211-Q214 CarbonylContact O-C 3.43Å; T211-Q214 WeakPolarHBondContact O-CA 3.33Å; T211-Q214 WeakPolarHBondContact O-CB 3.47Å; T211-Q214 PolarHBondContact O-N 3.48Å; T211-E215 PolarHBondContact O-N 2.86Å |
| 212 | I | 86.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 178.7 | -62.4 | -177.8 | 0 | 0 | 0 | 110.8 | I206 F209 F216 F231 T234 V235 V238 | I206-I212 HydrophobicContact CB-CD1 4.42Å; I206-I212 HydrophobicContact CD1-CD1 3.82Å; I206-I212 HydrophobicContact CG2-CD1 4.28Å; F209-I212 HydrophobicContact CB-CB 4.43Å; F209-I212 HydrophobicContact CB-CD1 3.79Å; F209-I212 HydrophobicContact CB-CG1 3.97Å; F209-I212 HydrophobicContact CG-CD1 4.33Å; F209-I212 PolarHBondContact O-N 2.82Å; F209-I212 VanDerWaalsContact O-N 3.11Å; I212-F216 WeakPolarHBondContact O-CB 3.03Å; I212-F216 PolarHBondContact O-N 2.9Å; I212-F231 HydrophobicContact CG2-CD2 3.98Å; I212-F231 HydrophobicContact CG2-CE2 3.62Å; I212-T234 HydrophobicContact CD1-CG2 3.89Å; I212-T234 HydrophobicContact CG1-CG2 3.58Å; I212-V235 HydrophobicContact CG2-CG2 3.63Å; I212-V238 HydrophobicContact CD1-CG2 3.64Å |
| 213 | A | 91 | Very high | 85.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R198 A201 P210 T211 S217 | R198-A213 HydrophobicContact CG-CB 4.35Å; A201-A213 HydrophobicContact CB-CB 3.96Å; P210-A213 PolarHBondContact O-N 3.42Å; T211-A213 PolarHBondContact O-N 2.99Å; A213-S217 PolarHBondContact O-N 2.91Å; A213-S217 PolarHBondContact O-OG 3.06Å |
| 214 | Q | 90.1 | Very high | 85.1 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.6 | -47.1 | 172.8 | -173.3 | 63.5 | 62 | 0 | 0 | 111.2 | P210 T211 F216 S217 N218 | P210-Q214 PolarHBondContact O-N 3.28Å; T211-Q214 CarbonylContact O-C 3.43Å; T211-Q214 WeakPolarHBondContact O-CA 3.33Å; T211-Q214 WeakPolarHBondContact O-CB 3.47Å; T211-Q214 PolarHBondContact O-N 3.48Å; Q214-F216 PolarHBondContact O-N 3.29Å; Q214-S217 PolarHBondContact NE2-OG 3.26Å; Q214-S217 PolarHBondContact O-N 3.27Å; Q214-S217 PolarHBondContact O-OG 2.84Å; Q214-N218 PolarHBondContact NE2-OD1 3.12Å; Q214-N218 PolarHBondContact O-N 2.97Å; Q214-N218 VanDerWaalsContact O-N 3.1Å; Q214-N218 PolarHBondContact O-OD1 3.13Å |
| 215 | E | 91.2 | Very high | 84.5 | Confident | 51 Ų | 51 | 51 Ų | 51 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.5 | -54.7 | 175.3 | -76.1 | 167.5 | -119.3 | 0 | 0 | 110.5 | T211 S217 N218 I219 F231 T234 | T211-E215 PolarHBondContact O-N 2.86Å; E215-S217 VanDerWaalsContact C-N 3.3Å; E215-S217 PolarHBondContact O-N 3.22Å; E215-N218 WeakPolarHBondContact O-CB 3.38Å; E215-N218 PolarHBondContact O-N 3.35Å; E215-I219 WeakPolarHBondContact O-CG1 3.46Å; E215-I219 PolarHBondContact O-N 3.2Å; E215-F231 HydrophobicContact CB-CB 4.39Å; E215-F231 HydrophobicContact CB-CD2 4.35Å; E215-T234 WeakPolarHBondContact OE2-CB 2.76Å; E215-T234 PolarHBondContact OE2-OG1 3.18Å |
| 216 | F | 93.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.9 | -42.4 | 178.3 | -175.6 | -102.1 | 0 | 0 | 0 | 113.2 | L188 L189 Q197 F200 A201 I205 I212 Q214 N218 I219 F231 | L188-F216 HydrophobicContact CB-CE2 4.33Å; L188-F216 HydrophobicContact CB-CZ 3.97Å; L189-F216 HydrophobicContact CD2-CD1 4.33Å; L189-F216 HydrophobicContact CD2-CD2 4.28Å; L189-F216 HydrophobicContact CD2-CE1 3.86Å; L189-F216 HydrophobicContact CD2-CE2 3.8Å; L189-F216 HydrophobicContact CD2-CZ 3.57Å; L189-F216 HydrophobicContact CG-CE2 3.84Å; L189-F216 HydrophobicContact CG-CZ 3.86Å; Q197-F216 HydrophobicContact CB-CD1 4.11Å; Q197-F216 HydrophobicContact CB-CE1 3.94Å; Q197-F216 HydrophobicContact CG-CE1 4.07Å; Q197-F216 WeakPolarHBondContact O-CD1 3.32Å; F200-F216 HydrophobicContact CD1-CE1 4.26Å; A201-F216 HydrophobicContact CB-CB 3.85Å; A201-F216 HydrophobicContact CB-CD1 3.72Å; A201-F216 HydrophobicContact CB-CG 3.96Å; I205-F216 HydrophobicContact CD1-CD1 4.39Å; I205-F216 HydrophobicContact CD1-CD2 3.92Å; I205-F216 HydrophobicContact CD1-CE1 4.37Å; I205-F216 HydrophobicContact CD1-CE2 3.9Å; I205-F216 HydrophobicContact CD1-CG 4.17Å; I205-F216 HydrophobicContact CD1-CZ 4.13Å; I212-F216 WeakPolarHBondContact O-CB 3.03Å; I212-F216 PolarHBondContact O-N 2.9Å; Q214-F216 PolarHBondContact O-N 3.29Å; F216-N218 VanDerWaalsContact C-N 3.27Å; F216-N218 PolarHBondContact O-N 3.33Å; F216-I219 HydrophobicContact CD2-CD1 4.25Å; F216-F231 HydrophobicContact CB-CD2 3.98Å; F216-F231 HydrophobicContact CB-CE2 3.69Å; F216-F231 HydrophobicContact CB-CZ 4.3Å; F216-F231 HydrophobicContact CD2-CD1 4.49Å; F216-F231 HydrophobicContact CD2-CD2 4.46Å; F216-F231 AromaticContact CD2-CE1 3.9Å; F216-F231 HydrophobicContact CD2-CE1 3.9Å; F216-F231 AromaticContact CD2-CE2 3.86Å; F216-F231 HydrophobicContact CD2-CE2 3.86Å; F216-F231 AromaticContact CD2-CZ 3.55Å; F216-F231 HydrophobicContact CD2-CZ 3.55Å; F216-F231 HydrophobicContact CE2-CZ 4.34Å; F216-F231 HydrophobicContact CG-CE2 4.19Å; F216-F231 HydrophobicContact CG-CZ 4.3Å |
| 217 | S | 92.4 | Very high | 84.5 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.3 | -14.6 | 179.5 | 67.8 | 0 | 0 | 0 | 0 | 115 | A213 Q214 E215 | A213-S217 PolarHBondContact O-N 2.91Å; A213-S217 PolarHBondContact O-OG 3.06Å; Q214-S217 PolarHBondContact NE2-OG 3.26Å; Q214-S217 PolarHBondContact O-N 3.27Å; Q214-S217 PolarHBondContact O-OG 2.84Å; E215-S217 VanDerWaalsContact C-N 3.3Å; E215-S217 PolarHBondContact O-N 3.22Å |
| 218 | N | 90.3 | Very high | 85 | Confident | 95 Ų | 95 | 45.7 Ų | 45.7 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -88.4 | -24.8 | 178.6 | -71.5 | -5 | 0 | 0 | 0 | 112.9 | Q214 E215 F216 G220 | Q214-N218 PolarHBondContact NE2-OD1 3.12Å; Q214-N218 PolarHBondContact O-N 2.97Å; Q214-N218 VanDerWaalsContact O-N 3.1Å; Q214-N218 PolarHBondContact O-OD1 3.13Å; E215-N218 WeakPolarHBondContact O-CB 3.38Å; E215-N218 PolarHBondContact O-N 3.35Å; F216-N218 VanDerWaalsContact C-N 3.27Å; F216-N218 PolarHBondContact O-N 3.33Å; N218-G220 PolarHBondContact O-N 3.26Å |
| 219 | I | 90 | Very high | 85.7 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | trans | -54.6 | 121.2 | -171.1 | -60.6 | 170.6 | 0 | 0 | 0 | 112 | L189 E215 F216 F224 E227 V228 F231 | L189-I219 HydrophobicContact CD1-CB 3.82Å; L189-I219 HydrophobicContact CD1-CD1 4.05Å; L189-I219 HydrophobicContact CD1-CG2 3.54Å; E215-I219 WeakPolarHBondContact O-CG1 3.46Å; E215-I219 PolarHBondContact O-N 3.2Å; F216-I219 HydrophobicContact CD2-CD1 4.25Å; I219-F224 HydrophobicContact CG2-CD2 3.43Å; I219-F224 VanDerWaalsContact CG2-CD2 3.43Å; I219-F224 HydrophobicContact CG2-CE2 3.41Å; I219-F224 VanDerWaalsContact CG2-CE2 3.41Å; I219-F224 HydrophobicContact CG2-CG 4.42Å; I219-F224 HydrophobicContact CG2-CZ 4.41Å; I219-E227 WeakPolarHBondContact CA-OE2 3.32Å; I219-E227 HydrophobicContact CB-CB 4.42Å; I219-E227 HydrophobicContact CG1-CB 4.12Å; I219-E227 HydrophobicContact CG2-CB 4.26Å; I219-V228 HydrophobicContact CD1-CG2 4.24Å; I219-V228 HydrophobicContact CG2-CG2 3.75Å; I219-F231 HydrophobicContact CD1-CB 3.93Å; I219-F231 HydrophobicContact CD1-CD1 3.95Å; I219-F231 HydrophobicContact CD1-CG 3.93Å | ||
| 220 | G | 83.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | trans | 170.9 | -176.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N218 E227 | N218-G220 PolarHBondContact O-N 3.26Å; G220-E227 PolarHBondContact N-OE2 3.3Å | ||
| 221 | G | 77.9 | Confident | 86.6 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 38% | 0.381 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | 62.4 | -146 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N223 | G221-N223 VanDerWaalsContact C-N 3.33Å; G221-N223 PolarHBondContact O-N 3.3Å |
| 222 | V | 73.6 | Confident | 87 | Confident | 112 Ų | 112 | 32 Ų | 32 | 68% | 0.679 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -75.5 | -16.4 | -171.3 | -65 | 0 | 0 | 0 | 0 | 114.7 | ||
| 223 | N | 76.2 | Confident | 87.1 | Confident | 42 Ų | 42 | 32.4 Ų | 32.4 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -100.1 | 6 | -178.8 | -64.4 | -4.2 | 0 | 0 | 0 | 112.7 | G221 E225 F226 E227 P266 N267 | G221-N223 VanDerWaalsContact C-N 3.33Å; G221-N223 PolarHBondContact O-N 3.3Å; N223-E225 VanDerWaalsContact C-N 3.29Å; N223-E225 PolarHBondContact O-N 2.85Å; N223-F226 WeakPolarHBondContact O-CB 3.44Å; N223-F226 PolarHBondContact O-N 2.75Å; N223-E227 HydrophobicContact CB-CG 4.11Å; N223-E227 WeakPolarHBondContact CB-OE1 3.41Å; N223-E227 PolarHBondContact O-N 2.85Å; N223-P266 PolarHBondContact OD1-O 3.49Å; N223-N267 PolarHBondContact OD1-ND2 3.37Å |
| 224 | F | 82.5 | Confident | 87 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -43 | -48.1 | -171.7 | 175.6 | -91 | 0 | 0 | 0 | 114.6 | A186 L189 I219 F226 E227 V228 I775 Y779 | A186-F224 HydrophobicContact CB-CZ 3.92Å; L189-F224 HydrophobicContact CD1-CE2 3.87Å; I219-F224 HydrophobicContact CG2-CD2 3.43Å; I219-F224 VanDerWaalsContact CG2-CD2 3.43Å; I219-F224 HydrophobicContact CG2-CE2 3.41Å; I219-F224 VanDerWaalsContact CG2-CE2 3.41Å; I219-F224 HydrophobicContact CG2-CG 4.42Å; I219-F224 HydrophobicContact CG2-CZ 4.41Å; F224-F226 VanDerWaalsContact C-N 3.34Å; F224-F226 PolarHBondContact O-N 3.49Å; F224-E227 PolarHBondContact O-N 3.15Å; F224-V228 HydrophobicContact CD1-CG2 4.32Å; F224-V228 HydrophobicContact CD2-CG2 4.33Å; F224-V228 HydrophobicContact CE1-CG2 3.7Å; F224-V228 HydrophobicContact CE2-CG2 3.72Å; F224-V228 HydrophobicContact CZ-CG2 3.36Å; F224-V228 WeakPolarHBondContact O-CG2 3.18Å; F224-V228 PolarHBondContact O-N 2.83Å; F224-I775 HydrophobicContact CD1-CB 4.16Å; F224-I775 HydrophobicContact CD1-CG2 4.33Å; F224-I775 HydrophobicContact CE1-CB 3.8Å; F224-I775 HydrophobicContact CE1-CD1 4.41Å; F224-I775 HydrophobicContact CE1-CG2 3.54Å; F224-I775 HydrophobicContact CZ-CG2 4.13Å; F224-Y779 AromaticContact CD1-CD2 3.98Å; F224-Y779 HydrophobicContact CD1-CD2 3.98Å; F224-Y779 HydrophobicContact CD1-CE2 4.14Å; F224-Y779 HydrophobicContact CD2-CD1 4.35Å; F224-Y779 AromaticContact CD2-CD2 3.47Å; F224-Y779 HydrophobicContact CD2-CD2 3.47Å; F224-Y779 VanDerWaalsContact CD2-CD2 3.47Å; F224-Y779 HydrophobicContact CD2-CE1 4.44Å; F224-Y779 AromaticContact CD2-CE2 3.58Å; F224-Y779 HydrophobicContact CD2-CE2 3.58Å; F224-Y779 AromaticContact CD2-CG 3.9Å; F224-Y779 HydrophobicContact CD2-CG 3.9Å; F224-Y779 HydrophobicContact CE1-CD2 4.01Å; F224-Y779 AromaticContact CE1-CE2 3.69Å; F224-Y779 HydrophobicContact CE1-CE2 3.69Å; F224-Y779 HydrophobicContact CE2-CD1 4.39Å; F224-Y779 AromaticContact CE2-CD2 3.5Å; F224-Y779 HydrophobicContact CE2-CD2 3.5Å; F224-Y779 HydrophobicContact CE2-CE1 4.03Å; F224-Y779 AromaticContact CE2-CE2 3.04Å; F224-Y779 HydrophobicContact CE2-CE2 3.04Å; F224-Y779 HydrophobicContact CE2-CG 4.16Å; F224-Y779 AromaticContact CE2-CZ 3.35Å; F224-Y779 AromaticContact CG-CD2 3.74Å; F224-Y779 HydrophobicContact CG-CD2 3.74Å; F224-Y779 HydrophobicContact CG-CE2 4.11Å; F224-Y779 HydrophobicContact CG-CG 4.36Å; F224-Y779 AromaticContact CZ-CD2 3.79Å; F224-Y779 HydrophobicContact CZ-CD2 3.79Å; F224-Y779 AromaticContact CZ-CE2 3.12Å; F224-Y779 HydrophobicContact CZ-CE2 3.12Å; F224-Y779 AromaticContact CZ-CZ 3.72Å |
| 225 | E | 81.7 | Confident | 87 | Confident | 33 Ų | 33 | 30.5 Ų | 30.5 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | -177.3 | -46.2 | -64.1 | 166.5 | 0 | 0 | 112 | N223 R229 W309 I775 S776 | N223-E225 VanDerWaalsContact C-N 3.29Å; N223-E225 PolarHBondContact O-N 2.85Å; E225-R229 WeakPolarHBondContact O-CB 3.37Å; E225-R229 PolarHBondContact O-N 3.01Å; E225-R229 VanDerWaalsContact O-N 3.11Å; E225-W309 HydrophobicContact CB-CH2 3.69Å; E225-W309 HydrophobicContact CB-CZ3 4.14Å; E225-W309 HydrophobicContact CG-CH2 3.73Å; E225-W309 HydrophobicContact CG-CZ2 4.48Å; E225-W309 HydrophobicContact CG-CZ3 4.25Å; E225-I775 WeakPolarHBondContact OE1-CB 3.45Å; E225-I775 VanDerWaalsContact OE2-CD1 3.3Å; E225-I775 WeakPolarHBondContact OE2-CD1 3.37Å; E225-S776 WeakPolarHBondContact OE1-CB 3.49Å; E225-S776 PolarHBondContact OE1-N 2.98Å; E225-S776 PolarHBondContact OE1-OG 3.08Å |
| 226 | F | 84.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 28.6 Ų | 28.6 | 23% | 0.232 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.4 | -40.1 | 176.8 | 172.9 | -90.2 | 0 | 0 | 0 | 111.5 | N223 F224 R229 S230 T265 V268 | N223-F226 WeakPolarHBondContact O-CB 3.44Å; N223-F226 PolarHBondContact O-N 2.75Å; F224-F226 VanDerWaalsContact C-N 3.34Å; F224-F226 PolarHBondContact O-N 3.49Å; F226-R229 WeakPolarHBondContact O-CB 3.46Å; F226-R229 PolarHBondContact O-N 3.29Å; F226-S230 PolarHBondContact O-N 3.14Å; F226-T265 HydrophobicContact CB-CG2 4.46Å; F226-V268 HydrophobicContact CB-CG2 4.23Å; F226-V268 HydrophobicContact CD1-CG2 4.15Å; F226-V268 HydrophobicContact CD2-CB 4.43Å; F226-V268 HydrophobicContact CD2-CG1 3.94Å; F226-V268 HydrophobicContact CD2-CG2 3.75Å; F226-V268 HydrophobicContact CE2-CG1 3.7Å; F226-V268 HydrophobicContact CE2-CG2 4.14Å; F226-V268 HydrophobicContact CG-CG2 3.76Å; F226-V268 HydrophobicContact CZ-CG1 4.33Å |
| 227 | E | 87.6 | Confident | 86.4 | Confident | 52 Ų | 52 | 28.6 Ų | 28.6 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.6 | -39.7 | -178.8 | -67.8 | 171.3 | 174.7 | 0 | 0 | 111.6 | I219 G220 N223 F224 S230 F231 | I219-E227 WeakPolarHBondContact CA-OE2 3.32Å; I219-E227 HydrophobicContact CB-CB 4.42Å; I219-E227 HydrophobicContact CG1-CB 4.12Å; I219-E227 HydrophobicContact CG2-CB 4.26Å; G220-E227 PolarHBondContact N-OE2 3.3Å; N223-E227 HydrophobicContact CB-CG 4.11Å; N223-E227 WeakPolarHBondContact CB-OE1 3.41Å; N223-E227 PolarHBondContact O-N 2.85Å; F224-E227 PolarHBondContact O-N 3.15Å; E227-S230 PolarHBondContact O-N 3.08Å; E227-F231 WeakPolarHBondContact O-CB 3.14Å; E227-F231 PolarHBondContact O-N 3.26Å |
| 228 | V | 90.5 | Very high | 85.8 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 168.3 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | A182 I219 F224 F231 L232 | A182-V228 HydrophobicContact CB-CG1 4.18Å; I219-V228 HydrophobicContact CD1-CG2 4.24Å; I219-V228 HydrophobicContact CG2-CG2 3.75Å; F224-V228 HydrophobicContact CD1-CG2 4.32Å; F224-V228 HydrophobicContact CD2-CG2 4.33Å; F224-V228 HydrophobicContact CE1-CG2 3.7Å; F224-V228 HydrophobicContact CE2-CG2 3.72Å; F224-V228 HydrophobicContact CZ-CG2 3.36Å; F224-V228 WeakPolarHBondContact O-CG2 3.18Å; F224-V228 PolarHBondContact O-N 2.83Å; V228-F231 PolarHBondContact O-N 3.25Å; V228-L232 HydrophobicContact CG1-CD1 3.73Å; V228-L232 HydrophobicContact CG1-CG 4.23Å; V228-L232 WeakPolarHBondContact O-CB 3.37Å; V228-L232 WeakPolarHBondContact O-CG 3.35Å; V228-L232 PolarHBondContact O-N 2.94Å |
| 229 | R | 90.3 | Very high | 84.8 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.4 | 169.2 | 57.1 | 70 | 169.1 | 6 | 112.1 | F178 E225 F226 N233 D276 | F178-R229 VanDerWaalsContact CE1-CZ 3.43Å; F178-R229 VanDerWaalsContact CE1-NH2 3.3Å; F178-R229 VanDerWaalsContact CZ-NE 3.31Å; E225-R229 WeakPolarHBondContact O-CB 3.37Å; E225-R229 PolarHBondContact O-N 3.01Å; E225-R229 VanDerWaalsContact O-N 3.11Å; F226-R229 WeakPolarHBondContact O-CB 3.46Å; F226-R229 PolarHBondContact O-N 3.29Å; R229-N233 VanDerWaalsContact CD-OD1 3.29Å; R229-N233 WeakPolarHBondContact CD-OD1 3.42Å; R229-N233 PolarHBondContact NH1-OD1 2.9Å; R229-N233 WeakPolarHBondContact O-CB 3.42Å; R229-N233 PolarHBondContact O-N 3.04Å; R229-N233 PolarHBondContact O-OD1 3.32Å; R229-D276 IonicContact CZ-OD1 3.07Å; R229-D276 IonicContact CZ-OD2 2.9Å; R229-D276 IonicContact NH1-OD1 3.49Å; R229-D276 PolarHBondContact NH1-OD1 3.29Å; R229-D276 IonicContact NH1-OD2 2.66Å; R229-D276 PolarHBondContact NH1-OD2 3.41Å; R229-D276 IonicContact NH2-OD1 2.79Å; R229-D276 IonicContact NH2-OD2 3.35Å; R229-D276 PolarHBondContact NH2-OD2 3.47Å |
| 230 | S | 88.3 | Confident | 83.7 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59 | -57.7 | 175.3 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | F226 E227 L232 N233 T234 | F226-S230 PolarHBondContact O-N 3.14Å; E227-S230 PolarHBondContact O-N 3.08Å; S230-L232 PolarHBondContact O-N 3.35Å; S230-N233 PolarHBondContact O-N 3.44Å; S230-N233 VanDerWaalsContact O-N 3.14Å; S230-T234 PolarHBondContact O-N 3.32Å; S230-T234 PolarHBondContact O-OG1 2.7Å |
| 231 | F | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.5 | -46.8 | -179.8 | 160.9 | -104.7 | 0 | 0 | 0 | 112.9 | L172 I205 I212 E215 F216 I219 E227 V228 T234 V235 | L172-F231 HydrophobicContact CD2-CE1 4.06Å; L172-F231 HydrophobicContact CD2-CZ 4.01Å; I205-F231 HydrophobicContact CD1-CZ 4.11Å; I205-F231 HydrophobicContact CG2-CE2 4.48Å; I205-F231 HydrophobicContact CG2-CZ 4.15Å; I212-F231 HydrophobicContact CG2-CD2 3.98Å; I212-F231 HydrophobicContact CG2-CE2 3.62Å; E215-F231 HydrophobicContact CB-CB 4.39Å; E215-F231 HydrophobicContact CB-CD2 4.35Å; F216-F231 HydrophobicContact CB-CD2 3.98Å; F216-F231 HydrophobicContact CB-CE2 3.69Å; F216-F231 HydrophobicContact CB-CZ 4.3Å; F216-F231 HydrophobicContact CD2-CD1 4.49Å; F216-F231 HydrophobicContact CD2-CD2 4.46Å; F216-F231 AromaticContact CD2-CE1 3.9Å; F216-F231 HydrophobicContact CD2-CE1 3.9Å; F216-F231 AromaticContact CD2-CE2 3.86Å; F216-F231 HydrophobicContact CD2-CE2 3.86Å; F216-F231 AromaticContact CD2-CZ 3.55Å; F216-F231 HydrophobicContact CD2-CZ 3.55Å; F216-F231 HydrophobicContact CE2-CZ 4.34Å; F216-F231 HydrophobicContact CG-CE2 4.19Å; F216-F231 HydrophobicContact CG-CZ 4.3Å; I219-F231 HydrophobicContact CD1-CB 3.93Å; I219-F231 HydrophobicContact CD1-CD1 3.95Å; I219-F231 HydrophobicContact CD1-CG 3.93Å; E227-F231 WeakPolarHBondContact O-CB 3.14Å; E227-F231 PolarHBondContact O-N 3.26Å; V228-F231 PolarHBondContact O-N 3.25Å; F231-T234 PolarHBondContact O-N 3.13Å; F231-V235 HydrophobicContact CD2-CG2 4.03Å; F231-V235 HydrophobicContact CE1-CG2 4.29Å; F231-V235 HydrophobicContact CE2-CG2 3.56Å; F231-V235 HydrophobicContact CZ-CG2 3.71Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.14Å |
| 232 | L | 93.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71 | -34.1 | -180 | -72.1 | 179.5 | 0 | 0 | 0 | 113.2 | L172 F178 Q181 A182 V228 S230 T234 V235 N236 | L172-L232 HydrophobicContact CD2-CD2 4.45Å; F178-L232 HydrophobicContact CD2-CB 4.41Å; F178-L232 HydrophobicContact CE1-CD1 4.3Å; F178-L232 HydrophobicContact CE2-CB 3.53Å; F178-L232 HydrophobicContact CE2-CD1 3.91Å; F178-L232 HydrophobicContact CE2-CG 4.4Å; F178-L232 HydrophobicContact CZ-CB 3.95Å; F178-L232 HydrophobicContact CZ-CD1 3.74Å; Q181-L232 HydrophobicContact CB-CD1 3.72Å; Q181-L232 HydrophobicContact CB-CD2 3.85Å; Q181-L232 HydrophobicContact CB-CG 4.42Å; Q181-L232 HydrophobicContact CG-CD2 4.4Å; A182-L232 HydrophobicContact CB-CD1 4.15Å; V228-L232 HydrophobicContact CG1-CD1 3.73Å; V228-L232 HydrophobicContact CG1-CG 4.23Å; V228-L232 WeakPolarHBondContact O-CB 3.37Å; V228-L232 WeakPolarHBondContact O-CG 3.35Å; V228-L232 PolarHBondContact O-N 2.94Å; S230-L232 PolarHBondContact O-N 3.35Å; L232-T234 VanDerWaalsContact C-N 3.3Å; L232-V235 PolarHBondContact O-N 2.87Å; L232-N236 WeakPolarHBondContact O-CB 3.15Å; L232-N236 PolarHBondContact O-N 3.3Å; L232-N236 PolarHBondContact O-ND2 2.98Å |
| 233 | N | 89.3 | Confident | 83.8 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 171.3 | -74.3 | 4.4 | 0 | 0 | 0 | 110.9 | R229 S230 G237 W274 A428 | R229-N233 VanDerWaalsContact CD-OD1 3.29Å; R229-N233 WeakPolarHBondContact CD-OD1 3.42Å; R229-N233 PolarHBondContact NH1-OD1 2.9Å; R229-N233 WeakPolarHBondContact O-CB 3.42Å; R229-N233 PolarHBondContact O-N 3.04Å; R229-N233 PolarHBondContact O-OD1 3.32Å; S230-N233 PolarHBondContact O-N 3.44Å; S230-N233 VanDerWaalsContact O-N 3.14Å; N233-G237 WeakPolarHBondContact O-CA 3.35Å; N233-G237 PolarHBondContact O-N 3.34Å; N233-W274 WeakPolarHBondContact ND2-CH2 3.43Å; N233-W274 WeakPolarHBondContact ND2-CZ3 3.43Å; N233-A428 HydrophobicContact CB-CB 3.7Å |
| 234 | T | 87.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 17% | 0.172 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 173.6 | -41.4 | 0 | 0 | 0 | 0 | 111.7 | I212 E215 S230 F231 L232 G237 V238 | I212-T234 HydrophobicContact CD1-CG2 3.89Å; I212-T234 HydrophobicContact CG1-CG2 3.58Å; E215-T234 WeakPolarHBondContact OE2-CB 2.76Å; E215-T234 PolarHBondContact OE2-OG1 3.18Å; S230-T234 PolarHBondContact O-N 3.32Å; S230-T234 PolarHBondContact O-OG1 2.7Å; F231-T234 PolarHBondContact O-N 3.13Å; L232-T234 VanDerWaalsContact C-N 3.3Å; T234-G237 WeakPolarHBondContact O-CA 3.45Å; T234-G237 PolarHBondContact O-N 2.65Å; T234-G237 VanDerWaalsContact O-N 3.08Å; T234-V238 PolarHBondContact O-N 3.13Å |
| 235 | V | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 177.4 | 163.3 | 0 | 0 | 0 | 0 | 112.4 | R173 I205 I206 I212 F231 L232 G237 | R173-V235 HydrophobicContact CB-CG1 4.49Å; I205-V235 HydrophobicContact CG2-CG2 4.31Å; I206-V235 HydrophobicContact CD1-CB 4.29Å; I206-V235 HydrophobicContact CD1-CG1 4.12Å; I206-V235 HydrophobicContact CD1-CG2 4.26Å; I212-V235 HydrophobicContact CG2-CG2 3.63Å; F231-V235 HydrophobicContact CD2-CG2 4.03Å; F231-V235 HydrophobicContact CE1-CG2 4.29Å; F231-V235 HydrophobicContact CE2-CG2 3.56Å; F231-V235 HydrophobicContact CZ-CG2 3.71Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.14Å; L232-V235 PolarHBondContact O-N 2.87Å; V235-G237 PolarHBondContact O-N 2.78Å |
| 236 | N | 89.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.7 | -18.2 | 176.6 | -64.6 | -50.5 | 0 | 0 | 0 | 112.1 | Q181 L232 V238 | Q181-N236 PolarHBondContact NE2-OD1 2.85Å; Q181-N236 PolarHBondContact OE1-ND2 3.35Å; Q181-N236 PolarHBondContact OE1-OD1 2.93Å; L232-N236 WeakPolarHBondContact O-CB 3.15Å; L232-N236 PolarHBondContact O-N 3.3Å; L232-N236 PolarHBondContact O-ND2 2.98Å; N236-V238 VanDerWaalsContact C-N 3.33Å; N236-V238 PolarHBondContact O-N 2.99Å |
| 237 | G | 82.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N233 T234 V235 K239 | N233-G237 WeakPolarHBondContact O-CA 3.35Å; N233-G237 PolarHBondContact O-N 3.34Å; T234-G237 WeakPolarHBondContact O-CA 3.45Å; T234-G237 PolarHBondContact O-N 2.65Å; T234-G237 VanDerWaalsContact O-N 3.08Å; V235-G237 PolarHBondContact O-N 2.78Å; G237-K239 PolarHBondContact O-N 3.24Å |
| 238 | V | 79 | Confident | 86 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 10% | 0.097 | 15% | 0.151 | C | C | . | . | trans | -70.5 | 122 | -175.6 | 166.4 | 0 | 0 | 0 | 0 | 112.3 | R173 I206 F209 I212 T234 N236 | R173-V238 PolarHBondContact NH1-O 2.83Å; I206-V238 HydrophobicContact CD1-CB 4.22Å; I206-V238 HydrophobicContact CD1-CG2 3.77Å; F209-V238 HydrophobicContact CD2-CG1 4Å; F209-V238 HydrophobicContact CD2-CG2 3.8Å; F209-V238 HydrophobicContact CE2-CB 4.31Å; F209-V238 HydrophobicContact CE2-CG1 3.43Å; F209-V238 VanDerWaalsContact CE2-CG1 3.43Å; F209-V238 HydrophobicContact CE2-CG2 3.92Å; F209-V238 HydrophobicContact CG-CG2 4.17Å; F209-V238 HydrophobicContact CZ-CG1 4.05Å; F209-V238 HydrophobicContact CZ-CG2 4.36Å; I212-V238 HydrophobicContact CD1-CG2 3.64Å; T234-V238 PolarHBondContact O-N 3.13Å; N236-V238 VanDerWaalsContact C-N 3.33Å; N236-V238 PolarHBondContact O-N 2.99Å | ||
| 239 | K | 70.3 | Confident | 86 | Confident | 70 Ų | 70 | 27.9 Ų | 27.9 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 166.6 | -176.2 | -68.7 | 169 | 175.4 | 169.9 | 0 | 113.5 | G237 V241 D368 F424 | G237-K239 PolarHBondContact O-N 3.24Å; K239-V241 PolarHBondContact O-N 3.2Å; K239-V241 VanDerWaalsContact O-N 3.14Å; K239-D368 WeakPolarHBondContact CE-OD1 3.42Å; K239-D368 WeakPolarHBondContact CE-OD2 3.41Å; K239-D368 IonicContact NZ-OD1 3.08Å; K239-D368 PolarHBondContact NZ-OD1 2.83Å; K239-D368 IonicContact NZ-OD2 3.84Å; K239-D368 PolarHBondContact NZ-OD2 2.87Å; K239-F424 PolarHBondContact NZ-O 3.34Å |
| 240 | N | 67 | Low | 85.9 | Confident | 170 Ų | 170 | 26.8 Ų | 26.8 | 91% | 0.909 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 3.1 | 173.8 | -57 | -28.6 | 0 | 0 | 0 | 117.4 | ||
| 241 | V | 73.4 | Confident | 85.9 | Confident | 89 Ų | 89 | 27.8 Ų | 27.8 | 54% | 0.539 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -127.1 | 138.5 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | R173 K239 | R173-V241 PolarHBondContact NH2-O 3.41Å; K239-V241 PolarHBondContact O-N 3.2Å; K239-V241 VanDerWaalsContact O-N 3.14Å |
| 242 | D | 77.4 | Confident | 85.9 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 16% | 0.16 | 15% | 0.153 | C | C | . | . | trans | -51.2 | 132.1 | 179 | -85.9 | -1.7 | 0 | 0 | 0 | 110.6 | R173 T375 S376 | R173-D242 PolarHBondContact NH2-O 3.18Å; D242-T375 WeakPolarHBondContact OD1-CB 3.43Å; D242-T375 PolarHBondContact OD1-N 3.01Å; D242-T375 PolarHBondContact OD1-OG1 3.49Å; D242-T375 PolarHBondContact OD2-N 3.37Å; D242-T375 PolarHBondContact OD2-OG1 3.27Å; D242-S376 WeakPolarHBondContact OD2-CB 3.23Å; D242-S376 PolarHBondContact OD2-N 3.11Å | ||
| 243 | P | 86.2 | Confident | 85.8 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | trans | -69.1 | 143.7 | 177.5 | 30.5 | -35.5 | 0 | 0 | 0 | 110 | V246 L372 K373 F374 | P243-V246 HydrophobicContact CB-CG2 3.85Å; P243-V246 HydrophobicContact CG-CG2 4.05Å; P243-L372 HydrophobicContact CB-CD2 4.15Å; P243-L372 HydrophobicContact CG-CD1 4.33Å; P243-L372 HydrophobicContact CG-CD2 4.02Å; P243-K373 WeakPolarHBondContact CD-O 3.45Å; P243-F374 HydrophobicContact CG-CD1 3.91Å; P243-F374 HydrophobicContact CG-CE1 3.56Å; P243-F374 HydrophobicContact CG-CZ 4.29Å | ||
| 244 | K | 90.4 | Very high | 86 | Confident | 62 Ų | 62 | 30.8 Ų | 30.8 | 27% | 0.27 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -105.1 | -19.1 | 170.9 | -59.8 | -58 | -173 | -173.5 | 0 | 112.9 | L279 | K244-L279 WeakPolarHBondContact O-CB 3.45Å; K244-L279 PolarHBondContact O-N 2.72Å |
| 245 | I | 92.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.9 | 170.7 | -61.3 | 152.2 | 0 | 0 | 0 | 106.9 | D177 F178 Q181 F277 | D177-I245 VanDerWaalsContact C-CD1 3.44Å; F178-I245 HydrophobicContact CB-CD1 4.33Å; F178-I245 HydrophobicContact CB-CG2 4.24Å; Q181-I245 HydrophobicContact CG-CD1 4.08Å; I245-F277 WeakPolarHBondContact CA-O 3.36Å |
| 246 | V | 92.2 | Very high | 86.3 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.1 | 167.6 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | P243 L248 F277 F369 L372 F374 L392 | P243-V246 HydrophobicContact CB-CG2 3.85Å; P243-V246 HydrophobicContact CG-CG2 4.05Å; V246-L248 HydrophobicContact CG1-CD2 3.91Å; V246-L248 HydrophobicContact CG1-CG 4.45Å; V246-F277 HydrophobicContact CB-CB 4.38Å; V246-F277 PolarHBondContact N-O 3.36Å; V246-F277 VanDerWaalsContact N-O 3.08Å; V246-F277 WeakPolarHBondContact O-CB 3.1Å; V246-F277 WeakPolarHBondContact O-CD2 3.45Å; V246-F277 PolarHBondContact O-N 2.96Å; V246-F369 HydrophobicContact CG1-CD2 3.88Å; V246-F369 HydrophobicContact CG1-CE2 4Å; V246-L372 HydrophobicContact CG1-CD1 4.01Å; V246-L372 HydrophobicContact CG2-CD1 3.81Å; V246-F374 HydrophobicContact CG2-CE1 4.37Å; V246-F374 HydrophobicContact CG2-CZ 4.44Å; V246-L392 HydrophobicContact CB-CD1 4.13Å; V246-L392 HydrophobicContact CB-CD2 4.17Å; V246-L392 HydrophobicContact CG1-CD2 4.05Å; V246-L392 HydrophobicContact CG2-CD1 3.99Å |
| 247 | S | 92.2 | Very high | 86.1 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.2 | -175.2 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | D276 | S247-D276 WeakPolarHBondContact CB-OD1 3.49Å; S247-D276 PolarHBondContact OG-OD1 2.91Å |
| 248 | L | 91.3 | Very high | 86.4 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.3 | -176.7 | -56.2 | -173.7 | 0 | 0 | 0 | 112.3 | V246 L275 F277 I360 L365 F369 L392 L395 | V246-L248 HydrophobicContact CG1-CD2 3.91Å; V246-L248 HydrophobicContact CG1-CG 4.45Å; L248-L275 PolarHBondContact N-O 3.25Å; L248-L275 PolarHBondContact O-N 3.46Å; L248-F277 HydrophobicContact CD1-CD2 4.39Å; L248-F277 HydrophobicContact CD1-CE2 3.76Å; L248-F277 HydrophobicContact CD1-CZ 4.4Å; L248-F277 HydrophobicContact CG-CD2 4.39Å; L248-F277 HydrophobicContact CG-CE2 4.12Å; L248-I360 HydrophobicContact CD1-CD1 4.13Å; L248-L365 HydrophobicContact CD2-CD2 3.9Å; L248-F369 HydrophobicContact CD1-CE2 4.38Å; L248-F369 HydrophobicContact CD1-CZ 4.38Å; L248-F369 HydrophobicContact CD2-CD2 3.73Å; L248-F369 HydrophobicContact CD2-CE2 3.82Å; L248-F369 HydrophobicContact CD2-CG 4.19Å; L248-F369 HydrophobicContact CD2-CZ 4.34Å; L248-L392 HydrophobicContact CD1-CD2 4.4Å; L248-L395 HydrophobicContact CD1-CD1 3.83Å |
| 249 | P | 90 | Very high | 86.9 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 131.4 | 179.7 | 30.3 | -33.7 | 0 | 0 | 0 | 112.3 | V272 W274 I360 I361 A364 | P249-V272 HydrophobicContact CB-CG2 3.94Å; P249-W274 HydrophobicContact CB-CE3 4.41Å; P249-W274 HydrophobicContact CB-CH2 4.06Å; P249-W274 HydrophobicContact CB-CZ3 3.98Å; P249-W274 HydrophobicContact CG-CZ3 4.3Å; P249-I360 WeakPolarHBondContact O-CA 3.46Å; P249-I361 PolarHBondContact O-N 3.23Å; P249-I361 VanDerWaalsContact O-N 3.08Å; P249-A364 HydrophobicContact CB-CB 4.11Å; P249-A364 HydrophobicContact CG-CB 3.53Å |
| 250 | C | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.4 | -178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | F273 R359 | C250-F273 HydrophobicContact CB-CB 4.07Å; C250-F273 PolarHBondContact N-O 3.26Å; C250-F273 PolarHBondContact O-N 2.83Å; C250-R359 CarbonylContact C-O 3.59Å; C250-R359 WeakPolarHBondContact CA-O 3.37Å; C250-R359 WeakPolarHBondContact CB-O 3.45Å |
| 251 | E | 88.1 | Confident | 88.7 | Confident | 69 Ų | 69 | 40.7 Ų | 40.7 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -29.3 | 175.3 | 44.7 | 147.6 | -117.4 | 0 | 0 | 112.4 | R359 I361 | E251-R359 HydrophobicContact CG-CB 3.76Å; E251-R359 VanDerWaalsContact CG-O 3.27Å; E251-R359 WeakPolarHBondContact CG-O 3.46Å; E251-R359 PolarHBondContact N-O 3.3Å; E251-R359 WeakPolarHBondContact OE1-CB 3.11Å; E251-R359 WeakPolarHBondContact OE1-CD 3.37Å; E251-R359 IonicContact OE1-CZ 3.79Å; E251-R359 IonicContact OE1-NE 2.65Å; E251-R359 IonicContact OE1-NH1 2.73Å; E251-R359 PolarHBondContact OE1-NH1 3.1Å; E251-R359 IonicContact OE2-NH1 2.66Å; E251-I361 HydrophobicContact CB-CD1 3.87Å; E251-I361 HydrophobicContact CB-CG1 3.71Å; E251-I361 HydrophobicContact CG-CG1 3.85Å |
| 252 | A | 90.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 142.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R359 | A252-R359 HydrophobicContact CB-CB 4.29Å; A252-R359 HydrophobicContact CB-CG 4.45Å; A252-R359 PolarHBondContact O-N 3.22Å |
| 253 | L | 92.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.1 | 161 | -64.2 | -177.6 | 0 | 0 | 0 | 109.5 | L260 F273 S286 L312 E357 A358 | L253-L260 HydrophobicContact CB-CB 4.41Å; L253-L260 HydrophobicContact CB-CD1 4.1Å; L253-L260 PolarHBondContact O-N 2.82Å; L253-F273 HydrophobicContact CB-CD1 4.26Å; L253-F273 HydrophobicContact CB-CE1 4.12Å; L253-F273 HydrophobicContact CB-CG 4.49Å; L253-F273 HydrophobicContact CB-CZ 4.23Å; L253-F273 HydrophobicContact CD1-CB 4.15Å; L253-F273 HydrophobicContact CD1-CD1 3.51Å; L253-F273 HydrophobicContact CD1-CE1 4Å; L253-F273 HydrophobicContact CD1-CG 3.97Å; L253-F273 HydrophobicContact CG-CB 4.06Å; L253-F273 HydrophobicContact CG-CD1 3.75Å; L253-F273 HydrophobicContact CG-CD2 4.24Å; L253-F273 HydrophobicContact CG-CE1 4.13Å; L253-F273 HydrophobicContact CG-CG 3.79Å; L253-S286 WeakPolarHBondContact CD1-OG 3.47Å; L253-L312 HydrophobicContact CD1-CD2 4.18Å; L253-E357 CarbonylContact C-O 3.55Å; L253-E357 WeakPolarHBondContact CA-O 3.28Å; L253-A358 HydrophobicContact CD2-CB 3.53Å |
| 254 | K | 92.8 | Very high | 88.1 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.7 | 175 | -45.7 | 178.2 | -175 | 154.1 | 0 | 111.4 | C256 L258 I356 E357 | K254-C256 WeakPolarHBondContact CB-O 3.44Å; K254-L258 WeakPolarHBondContact CA-O 3.36Å; K254-I356 WeakPolarHBondContact O-CA 3.37Å; K254-E357 HydrophobicContact CB-CB 4.27Å; K254-E357 WeakPolarHBondContact CD-OE1 3.27Å; K254-E357 VanDerWaalsContact CE-OE1 3.28Å; K254-E357 WeakPolarHBondContact CE-OE1 3.39Å; K254-E357 PolarHBondContact N-O 3.01Å; K254-E357 IonicContact NZ-OE1 3.76Å; K254-E357 PolarHBondContact NZ-OE1 3.27Å; K254-E357 PolarHBondContact O-N 3.35Å |
| 255 | L | 93 | Very high | 86.9 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 96.1 | 168.5 | -59.2 | -176.1 | 0 | 0 | 0 | 107.6 | D257 L258 L260 L312 I341 W347 A348 I351 I356 | L255-D257 PolarHBondContact O-N 2.8Å; L255-L258 PolarHBondContact N-O 2.89Å; L255-L258 WeakPolarHBondContact O-CB 3.32Å; L255-L258 PolarHBondContact O-N 2.67Å; L255-L258 VanDerWaalsContact O-N 3.1Å; L255-L260 HydrophobicContact CD1-CD1 4.27Å; L255-L260 HydrophobicContact CD1-CD2 3.88Å; L255-L260 HydrophobicContact CD1-CG 4.45Å; L255-L260 HydrophobicContact CD2-CD1 4.43Å; L255-L260 HydrophobicContact CG-CD1 4.05Å; L255-L260 HydrophobicContact CG-CD2 4.04Å; L255-L260 HydrophobicContact CG-CG 4.15Å; L255-L312 HydrophobicContact CD2-CD1 4.06Å; L255-L312 HydrophobicContact CD2-CD2 4.36Å; L255-I341 HydrophobicContact CB-CD1 4.19Å; L255-I341 HydrophobicContact CB-CG2 4.5Å; L255-I341 HydrophobicContact CD1-CG2 4.04Å; L255-I341 HydrophobicContact CD2-CD1 4.34Å; L255-I341 HydrophobicContact CD2-CG2 4.32Å; L255-W347 HydrophobicContact CD1-CH2 3.62Å; L255-W347 HydrophobicContact CD1-CZ3 3.84Å; L255-A348 HydrophobicContact CD1-CB 4.22Å; L255-I351 HydrophobicContact CB-CD1 3.56Å; L255-I351 HydrophobicContact CB-CG2 4.33Å; L255-I351 HydrophobicContact CD1-CD1 3.59Å; L255-I351 HydrophobicContact CG-CD1 4.22Å; L255-I356 HydrophobicContact CD2-CB 4.47Å; L255-I356 HydrophobicContact CD2-CD1 4.36Å; L255-I356 HydrophobicContact CD2-CG1 3.86Å; L255-I356 HydrophobicContact CD2-CG2 4.12Å |
| 256 | C | 90.2 | Very high | 85.4 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 25% | 0.25 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -122.8 | -161.8 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | K254 L258 Y354 V355 | K254-C256 WeakPolarHBondContact CB-O 3.44Å; C256-L258 VanDerWaalsContact C-N 3.26Å; C256-L258 PolarHBondContact O-N 2.91Å; C256-Y354 PolarHBondContact SG-N 2.87Å; C256-V355 WeakPolarHBondContact CA-O 3.21Å; C256-V355 PolarHBondContact N-O 3.47Å; C256-V355 PolarHBondContact SG-N 3.49Å; C256-V355 VanDerWaalsContact SG-N 3.4Å; C256-V355 PolarHBondContact SG-O 2.77Å; C256-V355 VanDerWaalsContact SG-O 3.34Å |
| 257 | D | 85.5 | Confident | 83.7 | Confident | 165 Ų | 165 | 53.5 Ų | 53.5 | 88% | 0.882 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.6 | 180 | -50.2 | -68 | 0 | 0 | 0 | 113.7 | L255 S259 | L255-D257 PolarHBondContact O-N 2.8Å; D257-S259 PolarHBondContact O-N 3.29Å |
| 258 | L | 89.3 | Confident | 82.2 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 98.3 | -174.7 | -174.4 | 60.3 | 0 | 0 | 0 | 111.5 | K254 L255 C256 L260 P291 I351 | K254-L258 WeakPolarHBondContact CA-O 3.36Å; L255-L258 PolarHBondContact N-O 2.89Å; L255-L258 WeakPolarHBondContact O-CB 3.32Å; L255-L258 PolarHBondContact O-N 2.67Å; L255-L258 VanDerWaalsContact O-N 3.1Å; C256-L258 VanDerWaalsContact C-N 3.26Å; C256-L258 PolarHBondContact O-N 2.91Å; L258-L260 PolarHBondContact O-N 3.41Å; L258-P291 HydrophobicContact CD2-CB 3.8Å; L258-P291 HydrophobicContact CD2-CG 3.6Å; L258-P291 HydrophobicContact CG-CB 4.47Å; L258-P291 HydrophobicContact CG-CG 4.19Å; L258-I351 HydrophobicContact CD2-CD1 3.77Å; L258-I351 HydrophobicContact CD2-CG1 4.36Å |
| 259 | S | 89.4 | Confident | 80.4 | Confident | 71 Ų | 71 | 63 Ų | 63 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 127.8 | 168.1 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | D257 | D257-S259 PolarHBondContact O-N 3.29Å |
| 260 | L | 89.6 | Confident | 78.8 | Confident | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | trans | -76.5 | 171.3 | 169.5 | -61.2 | -179.4 | 0 | 0 | 0 | 110.4 | L253 L255 L258 F273 C288 P291 L312 W347 | L253-L260 HydrophobicContact CB-CB 4.41Å; L253-L260 HydrophobicContact CB-CD1 4.1Å; L253-L260 PolarHBondContact O-N 2.82Å; L255-L260 HydrophobicContact CD1-CD1 4.27Å; L255-L260 HydrophobicContact CD1-CD2 3.88Å; L255-L260 HydrophobicContact CD1-CG 4.45Å; L255-L260 HydrophobicContact CD2-CD1 4.43Å; L255-L260 HydrophobicContact CG-CD1 4.05Å; L255-L260 HydrophobicContact CG-CD2 4.04Å; L255-L260 HydrophobicContact CG-CG 4.15Å; L258-L260 PolarHBondContact O-N 3.41Å; L260-F273 HydrophobicContact CB-CE1 4.13Å; L260-F273 HydrophobicContact CB-CZ 4.06Å; L260-C288 HydrophobicContact CB-CB 4.38Å; L260-C288 HydrophobicContact CD1-CB 3.99Å; L260-P291 HydrophobicContact CD2-CG 3.86Å; L260-L312 HydrophobicContact CD1-CD2 4.44Å; L260-W347 HydrophobicContact CD1-CH2 4.13Å; L260-W347 HydrophobicContact CD2-CH2 3.98Å; L260-W347 HydrophobicContact CD2-CZ3 4.14Å | ||
| 261 | R | 86.1 | Confident | 77.8 | Confident | 145 Ų | 145 | 66.3 Ų | 66.3 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -111.4 | 144.5 | 164.7 | -61.6 | -179 | -174 | 171.7 | 1.2 | 109.3 | F273 C288 L289 | R261-F273 VanDerWaalsContact C-CE1 3.44Å; R261-F273 WeakPolarHBondContact O-CE1 3.37Å; R261-C288 CarbonylContact O-C 3.59Å; R261-C288 WeakPolarHBondContact O-CA 3.49Å; R261-L289 HydrophobicContact CB-CB 4.28Å; R261-L289 HydrophobicContact CB-CD1 4.34Å; R261-L289 PolarHBondContact O-N 2.78Å |
| 262 | Y | 82.8 | Confident | 77.5 | Confident | 83 Ų | 83 | 64 Ų | 64 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | trans | -72 | 160.3 | 169.1 | 56.7 | -95.9 | 0 | 0 | 0 | 109.4 | E264 D271 F273 | Y262-E264 HydrophobicContact CD2-CG 4.28Å; Y262-E264 HydrophobicContact CE2-CG 3.72Å; Y262-E264 PolarHBondContact O-N 2.91Å; Y262-D271 HydrophobicContact CD2-CB 3.63Å; Y262-D271 HydrophobicContact CE2-CB 3.58Å; Y262-F273 HydrophobicContact CD1-CE2 4.22Å | ||
| 263 | P | 73.2 | Confident | 77.4 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | trans | -76.1 | 114.6 | 171 | 0.1 | 18 | 0 | 0 | 0 | 109.2 | T265 L289 W309 | P263-T265 PolarHBondContact O-N 3.22Å; P263-L289 HydrophobicContact CB-CD2 4.24Å; P263-W309 HydrophobicContact CB-CD2 3.42Å; P263-W309 VanDerWaalsContact CB-CD2 3.42Å; P263-W309 HydrophobicContact CB-CE3 3.87Å; P263-W309 HydrophobicContact CB-CG 3.83Å; P263-W309 HydrophobicContact CB-CH2 4.08Å; P263-W309 HydrophobicContact CB-CZ2 3.65Å; P263-W309 HydrophobicContact CB-CZ3 4.19Å; P263-W309 HydrophobicContact CG-CD2 3.98Å; P263-W309 HydrophobicContact CG-CE3 4.04Å; P263-W309 HydrophobicContact CG-CG 4.33Å; P263-W309 HydrophobicContact CG-CZ3 4.45Å | ||
| 264 | E | 69.5 | Low | 77.3 | Confident | 132 Ų | 132 | 65.1 Ų | 65.1 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 124.6 | 176.6 | -68.3 | 168.4 | -151.9 | 0 | 0 | 110.4 | Y262 | Y262-E264 HydrophobicContact CD2-CG 4.28Å; Y262-E264 HydrophobicContact CE2-CG 3.72Å; Y262-E264 PolarHBondContact O-N 2.91Å |
| 265 | T | 65.2 | Low | 77.3 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 137.9 | 172.9 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | F226 P263 V268 D271 W309 | F226-T265 HydrophobicContact CB-CG2 4.46Å; P263-T265 PolarHBondContact O-N 3.22Å; T265-V268 WeakPolarHBondContact OG1-CB 3.34Å; T265-V268 VanDerWaalsContact OG1-CG2 3.26Å; T265-V268 WeakPolarHBondContact OG1-CG2 3.47Å; T265-D271 PolarHBondContact N-OD2 2.87Å; T265-D271 PolarHBondContact OG1-OD1 3.31Å; T265-D271 PolarHBondContact OG1-OD2 3.21Å; T265-W309 HydrophobicContact CG2-CH2 4.16Å; T265-W309 HydrophobicContact CG2-CZ2 4.42Å |
| 266 | P | 60.1 | Low | 77.4 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 142.5 | 179.9 | -25.5 | 35.3 | 0 | 0 | 0 | 112.7 | N223 V268 | N223-P266 PolarHBondContact OD1-O 3.49Å; P266-V268 PolarHBondContact O-N 2.97Å |
| 267 | N | 56.8 | Low | 77.6 | Confident | 134 Ų | 134 | 61 Ų | 61 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -16 | 176.8 | -42.5 | -67.8 | 0 | 0 | 0 | 116.6 | N223 | N223-N267 PolarHBondContact OD1-ND2 3.37Š|
| 268 | V | 60 | Low | 78 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | trans | -80.2 | 140.1 | 173.9 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | F226 T265 P266 D271 | F226-V268 HydrophobicContact CB-CG2 4.23Å; F226-V268 HydrophobicContact CD1-CG2 4.15Å; F226-V268 HydrophobicContact CD2-CB 4.43Å; F226-V268 HydrophobicContact CD2-CG1 3.94Å; F226-V268 HydrophobicContact CD2-CG2 3.75Å; F226-V268 HydrophobicContact CE2-CG1 3.7Å; F226-V268 HydrophobicContact CE2-CG2 4.14Å; F226-V268 HydrophobicContact CG-CG2 3.76Å; F226-V268 HydrophobicContact CZ-CG1 4.33Å; T265-V268 WeakPolarHBondContact OG1-CB 3.34Å; T265-V268 VanDerWaalsContact OG1-CG2 3.26Å; T265-V268 WeakPolarHBondContact OG1-CG2 3.47Å; P266-V268 PolarHBondContact O-N 2.97Å; V268-D271 VanDerWaalsContact CG1-OD1 3.28Å; V268-D271 WeakPolarHBondContact CG1-OD1 3.45Å | ||
| 269 | K | 53.6 | Low | 78.1 | Confident | 179 Ų | 179 | 50.1 Ų | 50.1 | 78% | 0.778 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -117.5 | 134.6 | 174.5 | -73.3 | -175.4 | 176.1 | -178.1 | 0 | 109.4 | ||
| 270 | G | 58.1 | Low | 77.9 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 87.7 | 24.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V272 P431 | G270-V272 PolarHBondContact O-N 3Å; G270-P431 WeakPolarHBondContact O-CG 3.28Å |
| 271 | D | 67.1 | Low | 77.8 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | trans | -49.9 | 126.4 | 175.2 | -83.5 | -21.2 | 0 | 0 | 0 | 111.8 | Y262 T265 V268 | Y262-D271 HydrophobicContact CD2-CB 3.63Å; Y262-D271 HydrophobicContact CE2-CB 3.58Å; T265-D271 PolarHBondContact N-OD2 2.87Å; T265-D271 PolarHBondContact OG1-OD1 3.31Å; T265-D271 PolarHBondContact OG1-OD2 3.21Å; V268-D271 VanDerWaalsContact CG1-OD1 3.28Å; V268-D271 WeakPolarHBondContact CG1-OD1 3.45Å | ||
| 272 | V | 82.1 | Confident | 77.9 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | trans | -108.3 | 155.7 | 177.3 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | P249 G270 W274 I361 P431 | P249-V272 HydrophobicContact CB-CG2 3.94Å; G270-V272 PolarHBondContact O-N 3Å; V272-W274 HydrophobicContact CG2-CZ2 4.03Å; V272-I361 HydrophobicContact CG1-CD1 3.64Å; V272-P431 HydrophobicContact CG1-CG 4.38Å; V272-P431 HydrophobicContact CG2-CG 4.47Å | ||
| 273 | F | 88.8 | Confident | 78.3 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 137.2 | 164.6 | -63.9 | -92.4 | 0 | 0 | 0 | 109 | C250 L253 L260 R261 Y262 C288 | C250-F273 HydrophobicContact CB-CB 4.07Å; C250-F273 PolarHBondContact N-O 3.26Å; C250-F273 PolarHBondContact O-N 2.83Å; L253-F273 HydrophobicContact CB-CD1 4.26Å; L253-F273 HydrophobicContact CB-CE1 4.12Å; L253-F273 HydrophobicContact CB-CG 4.49Å; L253-F273 HydrophobicContact CB-CZ 4.23Å; L253-F273 HydrophobicContact CD1-CB 4.15Å; L253-F273 HydrophobicContact CD1-CD1 3.51Å; L253-F273 HydrophobicContact CD1-CE1 4Å; L253-F273 HydrophobicContact CD1-CG 3.97Å; L253-F273 HydrophobicContact CG-CB 4.06Å; L253-F273 HydrophobicContact CG-CD1 3.75Å; L253-F273 HydrophobicContact CG-CD2 4.24Å; L253-F273 HydrophobicContact CG-CE1 4.13Å; L253-F273 HydrophobicContact CG-CG 3.79Å; L260-F273 HydrophobicContact CB-CE1 4.13Å; L260-F273 HydrophobicContact CB-CZ 4.06Å; R261-F273 VanDerWaalsContact C-CE1 3.44Å; R261-F273 WeakPolarHBondContact O-CE1 3.37Å; Y262-F273 HydrophobicContact CD1-CE2 4.22Å; F273-C288 HydrophobicContact CE1-CB 4.12Å |
| 274 | W | 90.3 | Very high | 79.3 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.2 | 168.4 | -69.6 | 93.4 | 0 | 0 | 0 | 109.3 | N233 P249 V272 S286 A428 | N233-W274 WeakPolarHBondContact ND2-CH2 3.43Å; N233-W274 WeakPolarHBondContact ND2-CZ3 3.43Å; P249-W274 HydrophobicContact CB-CE3 4.41Å; P249-W274 HydrophobicContact CB-CH2 4.06Å; P249-W274 HydrophobicContact CB-CZ3 3.98Å; P249-W274 HydrophobicContact CG-CZ3 4.3Å; V272-W274 HydrophobicContact CG2-CZ2 4.03Å; W274-S286 WeakPolarHBondContact O-CA 3.09Å; W274-S286 VanDerWaalsContact O-CB 3.23Å; W274-S286 WeakPolarHBondContact O-CB 3.42Å; W274-S286 PolarHBondContact O-OG 3Å; W274-A428 HydrophobicContact CH2-CB 3.73Å; W274-A428 HydrophobicContact CZ3-CB 4.05Å |
| 275 | L | 93.3 | Very high | 80.4 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 102.5 | 176.1 | -169.7 | 68.5 | 0 | 0 | 0 | 108.4 | L248 F277 I284 F335 A358 | L248-L275 PolarHBondContact N-O 3.25Å; L248-L275 PolarHBondContact O-N 3.46Å; L275-F277 HydrophobicContact CD2-CE2 3.78Å; L275-F277 HydrophobicContact CD2-CZ 4.03Å; L275-F277 HydrophobicContact CG-CE2 3.9Å; L275-F277 HydrophobicContact CG-CZ 4.49Å; L275-I284 HydrophobicContact CD1-CG2 3.48Å; L275-I284 VanDerWaalsContact CD1-CG2 3.48Å; L275-I284 HydrophobicContact CD2-CG2 4.37Å; L275-I284 HydrophobicContact CG-CG2 3.62Å; L275-F335 HydrophobicContact CD2-CZ 4.47Å; L275-A358 HydrophobicContact CD2-CB 4.13Å |
| 276 | D | 94.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.3 | -171.5 | -63.8 | -53.6 | 0 | 0 | 0 | 110.7 | F178 R229 S247 N278 I284 T285 | F178-D276 HydrophobicContact CB-CB 4.06Å; R229-D276 IonicContact CZ-OD1 3.07Å; R229-D276 IonicContact CZ-OD2 2.9Å; R229-D276 IonicContact NH1-OD1 3.49Å; R229-D276 PolarHBondContact NH1-OD1 3.29Å; R229-D276 IonicContact NH1-OD2 2.66Å; R229-D276 PolarHBondContact NH1-OD2 3.41Å; R229-D276 IonicContact NH2-OD1 2.79Å; R229-D276 IonicContact NH2-OD2 3.35Å; R229-D276 PolarHBondContact NH2-OD2 3.47Å; S247-D276 WeakPolarHBondContact CB-OD1 3.49Å; S247-D276 PolarHBondContact OG-OD1 2.91Å; D276-N278 PolarHBondContact O-N 3.49Å; D276-N278 PolarHBondContact O-ND2 2.75Å; D276-I284 CarbonylContact O-C 3.52Å; D276-I284 VanDerWaalsContact O-CA 3.26Å; D276-I284 WeakPolarHBondContact O-CA 3.03Å; D276-T285 PolarHBondContact N-O 2.84Å; D276-T285 PolarHBondContact O-N 2.98Å |
| 277 | F | 94.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 95.4 | 174.6 | -68.8 | -108.6 | 0 | 0 | 0 | 108.9 | I245 V246 L248 L275 L279 I284 L388 I391 L392 L395 | I245-F277 WeakPolarHBondContact CA-O 3.36Å; V246-F277 HydrophobicContact CB-CB 4.38Å; V246-F277 PolarHBondContact N-O 3.36Å; V246-F277 VanDerWaalsContact N-O 3.08Å; V246-F277 WeakPolarHBondContact O-CB 3.1Å; V246-F277 WeakPolarHBondContact O-CD2 3.45Å; V246-F277 PolarHBondContact O-N 2.96Å; L248-F277 HydrophobicContact CD1-CD2 4.39Å; L248-F277 HydrophobicContact CD1-CE2 3.76Å; L248-F277 HydrophobicContact CD1-CZ 4.4Å; L248-F277 HydrophobicContact CG-CD2 4.39Å; L248-F277 HydrophobicContact CG-CE2 4.12Å; L275-F277 HydrophobicContact CD2-CE2 3.78Å; L275-F277 HydrophobicContact CD2-CZ 4.03Å; L275-F277 HydrophobicContact CG-CE2 3.9Å; L275-F277 HydrophobicContact CG-CZ 4.49Å; F277-L279 PolarHBondContact O-N 3.46Å; F277-I284 HydrophobicContact CD1-CD1 4Å; F277-I284 HydrophobicContact CD1-CG1 4.03Å; F277-I284 HydrophobicContact CD2-CG2 4.34Å; F277-I284 HydrophobicContact CE1-CD1 3.63Å; F277-I284 HydrophobicContact CE1-CG1 4.17Å; F277-I284 HydrophobicContact CE2-CG2 4.36Å; F277-I284 HydrophobicContact CG-CG2 4.42Å; F277-I284 HydrophobicContact CZ-CD1 4.19Å; F277-I284 HydrophobicContact CZ-CG2 4.47Å; F277-L388 HydrophobicContact CD1-CD2 4.18Å; F277-I391 HydrophobicContact CE1-CB 4.34Å; F277-I391 HydrophobicContact CE1-CG2 3.77Å; F277-I391 HydrophobicContact CZ-CG2 4.31Å; F277-L392 HydrophobicContact CB-CD1 4.05Å; F277-L392 HydrophobicContact CB-CD2 4.24Å; F277-L392 HydrophobicContact CB-CG 4.47Å; F277-L392 HydrophobicContact CD1-CD1 4.26Å; F277-L392 HydrophobicContact CD1-CD2 3.76Å; F277-L392 HydrophobicContact CD1-CG 3.86Å; F277-L392 HydrophobicContact CD2-CD2 3.93Å; F277-L392 HydrophobicContact CE1-CD2 4.04Å; F277-L392 HydrophobicContact CE1-CG 4.3Å; F277-L392 HydrophobicContact CE2-CD2 4.2Å; F277-L392 HydrophobicContact CG-CD1 4.29Å; F277-L392 HydrophobicContact CG-CD2 3.72Å; F277-L392 HydrophobicContact CG-CG 4.17Å; F277-L392 HydrophobicContact CZ-CD2 4.25Å; F277-L395 HydrophobicContact CZ-CD1 4.34Å |
| 278 | N | 93.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 100.6 | -177.5 | -49.8 | -78.6 | 0 | 0 | 0 | 109.4 | G176 D177 F178 D276 T281 N282 R283 T285 L388 | G176-N278 CarbonylContact O-C 3.6Å; D177-N278 WeakPolarHBondContact CA-OD1 3.44Å; D177-N278 HydrophobicContact CB-CB 4.39Å; F178-N278 PolarHBondContact N-OD1 3.1Å; D276-N278 PolarHBondContact O-N 3.49Å; D276-N278 PolarHBondContact O-ND2 2.75Å; N278-T281 VanDerWaalsContact CB-OG1 3.23Å; N278-T281 WeakPolarHBondContact CB-OG1 3.44Å; N278-N282 WeakPolarHBondContact O-CA 3.29Å; N278-N282 PolarHBondContact O-N 3.17Å; N278-R283 HydrophobicContact CB-CG 4.15Å; N278-R283 WeakPolarHBondContact CB-O 3.49Å; N278-R283 PolarHBondContact N-O 3.47Å; N278-R283 PolarHBondContact ND2-O 3.31Å; N278-R283 PolarHBondContact O-N 3.11Å; N278-T285 PolarHBondContact ND2-OG1 3.06Å; N278-L388 WeakPolarHBondContact O-CD1 3.14Å |
| 279 | L | 91.3 | Very high | 85.6 | Confident | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -32.9 | -173.5 | -54.6 | -178.7 | 0 | 0 | 0 | 111.7 | K244 F277 T281 F374 L388 V389 L392 | K244-L279 WeakPolarHBondContact O-CB 3.45Å; K244-L279 PolarHBondContact O-N 2.72Å; F277-L279 PolarHBondContact O-N 3.46Å; L279-T281 VanDerWaalsContact C-N 3.27Å; L279-T281 PolarHBondContact O-N 2.83Å; L279-F374 HydrophobicContact CD1-CD1 4.35Å; L279-F374 HydrophobicContact CD1-CE1 4.03Å; L279-L388 HydrophobicContact CD2-CB 3.56Å; L279-L388 HydrophobicContact CD2-CD1 3.91Å; L279-L388 HydrophobicContact CD2-CG 4.4Å; L279-V389 HydrophobicContact CD1-CG2 4.35Å; L279-V389 HydrophobicContact CD2-CG2 4.32Å; L279-L392 HydrophobicContact CD2-CD1 4.02Å |
| 280 | G | 86.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 15.3 Ų | 15.3 | 42% | 0.423 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G176 | G176-G280 PolarHBondContact O-N 2.68Å; G176-G280 VanDerWaalsContact O-N 3.07Å |
| 281 | T | 86.8 | Confident | 87 | Confident | 24 Ų | 24 | 15 Ų | 15 | 15% | 0.147 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 8.1 | 179.5 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | L130 D177 N278 L279 R283 | L130-T281 HydrophobicContact CD1-CG2 3.6Å; L130-T281 HydrophobicContact CD2-CG2 3.97Å; L130-T281 HydrophobicContact CG-CG2 4.37Å; D177-T281 HydrophobicContact CB-CG2 3.68Å; D177-T281 WeakPolarHBondContact OD2-CB 3.14Å; D177-T281 WeakPolarHBondContact OD2-CG2 3.43Å; D177-T281 PolarHBondContact OD2-OG1 3.3Å; N278-T281 VanDerWaalsContact CB-OG1 3.23Å; N278-T281 WeakPolarHBondContact CB-OG1 3.44Å; L279-T281 VanDerWaalsContact C-N 3.27Å; L279-T281 PolarHBondContact O-N 2.83Å; T281-R283 VanDerWaalsContact C-N 3.33Å; T281-R283 PolarHBondContact O-N 2.99Å |
| 282 | N | 88.8 | Confident | 86.7 | Confident | 19 Ų | 19 | 17.8 Ų | 17.8 | 10% | 0.102 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 47.2 | 179.3 | -169.7 | 54 | 0 | 0 | 0 | 114.5 | N278 P316 E384 | N278-N282 WeakPolarHBondContact O-CA 3.29Å; N278-N282 PolarHBondContact O-N 3.17Å; N282-P316 WeakPolarHBondContact O-CD 3.29Å; N282-E384 PolarHBondContact OD1-O 3.45Å; N282-E384 VanDerWaalsContact OD1-O 3.07Å |
| 283 | R | 90.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147 | 177.6 | 66 | -174.8 | -174.1 | 119.2 | 4.9 | 112.5 | D177 D179 N278 T281 T285 T313 Y315 | D177-R283 IonicContact OD1-CZ 3.32Å; D177-R283 IonicContact OD1-NH2 2.72Å; D177-R283 PolarHBondContact OD1-NH2 2.85Å; D177-R283 IonicContact OD2-CZ 3.06Å; D177-R283 IonicContact OD2-NE 2.84Å; D177-R283 PolarHBondContact OD2-NE 3.28Å; D177-R283 IonicContact OD2-NH2 3.92Å; D177-R283 PolarHBondContact OD2-NH2 2.69Å; D179-R283 IonicContact OD2-CZ 2.71Å; D179-R283 VanDerWaalsContact OD2-CZ 3.32Å; D179-R283 IonicContact OD2-NH1 2.77Å; D179-R283 PolarHBondContact OD2-NH1 3.46Å; D179-R283 IonicContact OD2-NH2 3.18Å; D179-R283 PolarHBondContact OD2-NH2 3.13Å; N278-R283 HydrophobicContact CB-CG 4.15Å; N278-R283 WeakPolarHBondContact CB-O 3.49Å; N278-R283 PolarHBondContact N-O 3.47Å; N278-R283 PolarHBondContact ND2-O 3.31Å; N278-R283 PolarHBondContact O-N 3.11Å; T281-R283 VanDerWaalsContact C-N 3.33Å; T281-R283 PolarHBondContact O-N 2.99Å; R283-T285 HydrophobicContact CG-CG2 4.32Å; R283-T313 HydrophobicContact CB-CG2 4.04Å; R283-T313 HydrophobicContact CG-CG2 4.37Å; R283-Y315 HydrophobicContact CB-CD1 4.21Å; R283-Y315 HydrophobicContact CB-CE1 4.03Å |
| 284 | I | 93.9 | Very high | 83.3 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.2 | 168.6 | -43.1 | 175.9 | 0 | 0 | 0 | 108 | L275 D276 F277 T313 I314 F335 L388 | L275-I284 HydrophobicContact CD1-CG2 3.48Å; L275-I284 VanDerWaalsContact CD1-CG2 3.48Å; L275-I284 HydrophobicContact CD2-CG2 4.37Å; L275-I284 HydrophobicContact CG-CG2 3.62Å; D276-I284 CarbonylContact O-C 3.52Å; D276-I284 VanDerWaalsContact O-CA 3.26Å; D276-I284 WeakPolarHBondContact O-CA 3.03Å; F277-I284 HydrophobicContact CD1-CD1 4Å; F277-I284 HydrophobicContact CD1-CG1 4.03Å; F277-I284 HydrophobicContact CD2-CG2 4.34Å; F277-I284 HydrophobicContact CE1-CD1 3.63Å; F277-I284 HydrophobicContact CE1-CG1 4.17Å; F277-I284 HydrophobicContact CE2-CG2 4.36Å; F277-I284 HydrophobicContact CG-CG2 4.42Å; F277-I284 HydrophobicContact CZ-CD1 4.19Å; F277-I284 HydrophobicContact CZ-CG2 4.47Å; I284-T313 CarbonylContact O-C 3.59Å; I284-T313 WeakPolarHBondContact O-CA 3.35Å; I284-I314 HydrophobicContact CB-CB 4.23Å; I284-I314 PolarHBondContact N-O 2.88Å; I284-I314 PolarHBondContact O-N 3.38Å; I284-F335 HydrophobicContact CD1-CD1 4.49Å; I284-F335 HydrophobicContact CD1-CE1 3.55Å; I284-F335 HydrophobicContact CD1-CZ 3.81Å; I284-L388 HydrophobicContact CD1-CD2 3.9Å; I284-L388 HydrophobicContact CG1-CD2 3.51Å |
| 285 | T | 93.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 156.8 | 176.3 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | D276 N278 R283 I311 L312 T313 | D276-T285 PolarHBondContact N-O 2.84Å; D276-T285 PolarHBondContact O-N 2.98Å; N278-T285 PolarHBondContact ND2-OG1 3.06Å; R283-T285 HydrophobicContact CG-CG2 4.32Å; T285-I311 HydrophobicContact CG2-CG2 4.09Å; T285-L312 CarbonylContact C-O 3.55Å; T285-L312 VanDerWaalsContact CA-O 3.29Å; T285-L312 WeakPolarHBondContact CA-O 3.32Å; T285-T313 HydrophobicContact CG2-CG2 4.15Å |
| 286 | S | 92.1 | Very high | 78.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146.5 | 165.4 | -165.1 | 0 | 0 | 0 | 0 | 111.5 | L253 W274 L312 | L253-S286 WeakPolarHBondContact CD1-OG 3.47Å; W274-S286 WeakPolarHBondContact O-CA 3.09Å; W274-S286 VanDerWaalsContact O-CB 3.23Å; W274-S286 WeakPolarHBondContact O-CB 3.42Å; W274-S286 PolarHBondContact O-OG 3Å; S286-L312 PolarHBondContact N-O 3.41Å; S286-L312 PolarHBondContact O-N 3.29Å |
| 287 | Y | 88.7 | Confident | 75.9 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.6 | 176.4 | -68.1 | -91 | 0 | 0 | 0 | 110.7 | F178 D179 W309 I311 L772 | F178-Y287 HydrophobicContact CD1-CE2 4.32Å; D179-Y287 PolarHBondContact OD1-OH 3.46Å; Y287-W309 HydrophobicContact CD1-CE3 4.27Å; Y287-I311 HydrophobicContact CD1-CG1 3.99Å; Y287-I311 HydrophobicContact CE1-CD1 3.77Å; Y287-I311 HydrophobicContact CE1-CG1 3.73Å; Y287-L772 HydrophobicContact CD1-CD1 3.71Å; Y287-L772 HydrophobicContact CE1-CD1 3.57Å; Y287-L772 HydrophobicContact CE1-CD2 4.4Å; Y287-L772 HydrophobicContact CE1-CG 4.1Å |
| 288 | C | 87.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 168.5 | -178.2 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | L260 R261 F273 W309 E310 W347 | L260-C288 HydrophobicContact CB-CB 4.38Å; L260-C288 HydrophobicContact CD1-CB 3.99Å; R261-C288 CarbonylContact O-C 3.59Å; R261-C288 WeakPolarHBondContact O-CA 3.49Å; F273-C288 HydrophobicContact CE1-CB 4.12Å; C288-W309 WeakPolarHBondContact O-CA 3.22Å; C288-E310 PolarHBondContact N-O 3.33Å; C288-E310 PolarHBondContact O-N 2.8Å; C288-E310 VanDerWaalsContact O-O 3.1Å; C288-E310 PolarHBondContact SG-O 3.07Å; C288-W347 VanDerWaalsContact SG-CZ2 3.59Å |
| 289 | L | 82.6 | Confident | 70.7 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.6 | 168.5 | -55.6 | -178.3 | 0 | 0 | 0 | 110.2 | R261 P263 W309 | R261-L289 HydrophobicContact CB-CB 4.28Å; R261-L289 HydrophobicContact CB-CD1 4.34Å; R261-L289 PolarHBondContact O-N 2.78Å; P263-L289 HydrophobicContact CB-CD2 4.24Å; L289-W309 HydrophobicContact CD2-CG 4.25Å |
| 290 | A | 71.7 | Confident | 67.8 | Low | 38 Ų | 38 | 61.5 Ų | 61.5 | 31% | 0.314 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -59 | 134.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L292 E310 W347 | A290-L292 PolarHBondContact O-N 3.43Å; A290-E310 HydrophobicContact CB-CG 4.05Å; A290-W347 HydrophobicContact CB-CE3 4.45Å |
| 291 | P | 69.2 | Low | 65.1 | Low | 41 Ų | 41 | 64.3 Ų | 64.3 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 130.5 | 172.9 | -24 | 33.5 | 0 | 0 | 0 | 111.5 | L258 L260 N293 | L258-P291 HydrophobicContact CD2-CB 3.8Å; L258-P291 HydrophobicContact CD2-CG 3.6Å; L258-P291 HydrophobicContact CG-CB 4.47Å; L258-P291 HydrophobicContact CG-CG 4.19Å; L260-P291 HydrophobicContact CD2-CG 3.86Å; P291-N293 PolarHBondContact O-N 3.46Å |
| 292 | L | 60.9 | Low | 62.5 | Low | 86 Ų | 86 | 70.5 Ų | 70.5 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 124 | 172.7 | -68.5 | 83.4 | 0 | 0 | 0 | 109 | A290 Q294 Y307 | A290-L292 PolarHBondContact O-N 3.43Å; L292-Q294 PolarHBondContact O-N 2.76Å; L292-Q294 VanDerWaalsContact O-N 3.1Å; L292-Y307 HydrophobicContact CD1-CE1 3.87Å; L292-Y307 HydrophobicContact CD2-CE1 4.31Å; L292-Y307 HydrophobicContact CG-CE1 4.28Å |
| 293 | N | 55.2 | Low | 60.1 | Low | 102 Ų | 102 | 74.3 Ų | 74.3 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 116.2 | 168.5 | -74.5 | -50.8 | 0 | 0 | 0 | 108.9 | P291 A295 S296 | P291-N293 PolarHBondContact O-N 3.46Å; N293-A295 PolarHBondContact O-N 2.91Å; N293-S296 WeakPolarHBondContact O-CB 3.42Å; N293-S296 PolarHBondContact O-N 2.97Å; N293-S296 PolarHBondContact O-OG 3.38Å |
| 294 | Q | 44.9 | Very low | 57.6 | Low | 159 Ų | 159 | 82.4 Ų | 82.4 | 74% | 0.743 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -58.1 | -24 | -177.2 | -65.4 | 177.3 | -0.1 | 0 | 0 | 112.9 | L292 S296 Q297 | L292-Q294 PolarHBondContact O-N 2.76Å; L292-Q294 VanDerWaalsContact O-N 3.1Å; Q294-S296 PolarHBondContact O-N 3.41Å; Q294-S296 VanDerWaalsContact O-N 3.13Å; Q294-Q297 PolarHBondContact O-N 2.91Å |
| 295 | A | 39.5 | Very low | 54.9 | Low | 89 Ų | 89 | 85 Ų | 85 | 74% | 0.736 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -58 | -19.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N293 Q297 | N293-A295 PolarHBondContact O-N 2.91Å; A295-Q297 VanDerWaalsContact C-N 3.32Å; A295-Q297 PolarHBondContact O-N 2.9Å |
| 296 | S | 42.6 | Very low | 52.6 | Low | 82 Ų | 82 | 88 Ų | 88 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -80.3 | -5.4 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | N293 Q294 I298 | N293-S296 WeakPolarHBondContact O-CB 3.42Å; N293-S296 PolarHBondContact O-N 2.97Å; N293-S296 PolarHBondContact O-OG 3.38Å; Q294-S296 PolarHBondContact O-N 3.41Å; Q294-S296 VanDerWaalsContact O-N 3.13Å; S296-I298 PolarHBondContact O-N 2.86Å; S296-I298 VanDerWaalsContact O-N 3.16Å |
| 297 | Q | 39.7 | Very low | 50.8 | Low | 154 Ų | 154 | 93.9 Ų | 93.9 | 72% | 0.72 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 16.3 | -172 | -64.6 | -173.2 | -9.1 | 0 | 0 | 115.3 | Q294 A295 | Q294-Q297 PolarHBondContact O-N 2.91Å; A295-Q297 VanDerWaalsContact C-N 3.32Å; A295-Q297 PolarHBondContact O-N 2.9Å |
| 298 | I | 41.4 | Very low | 49.5 | Very low | 158 Ų | 158 | 95.3 Ų | 95.3 | 81% | 0.81 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -1.7 | -171.8 | -59.7 | 178 | 0 | 0 | 0 | 112.8 | S296 | S296-I298 PolarHBondContact O-N 2.86Å; S296-I298 VanDerWaalsContact O-N 3.16Å |
| 299 | S | 37.7 | Very low | 48.9 | Very low | 98 Ų | 98 | 98.4 Ų | 98.4 | 69% | 0.685 | 56% | 0.561 | S | S | * | * | trans | -111 | 127.5 | 173.6 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 300 | D | 31.1 | Very low | 49 | Very low | 153 Ų | 153 | 97.9 Ų | 97.9 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | trans | -62.4 | 178.2 | 175 | -65.8 | -69.8 | 0 | 0 | 0 | 114.2 | ||||
| 301 | C | 29 | Very low | 49.7 | Very low | 99 Ų | 99 | 97.1 Ų | 97.1 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | trans | 85.2 | 78.2 | 167.2 | -53.2 | 0 | 0 | 0 | 0 | 117.6 | S303 | C301-S303 PolarHBondContact O-N 3.16Š| ||
| 302 | T | 32.4 | Very low | 50.7 | Low | 154 Ų | 154 | 95.2 Ų | 95.2 | 95% | 0.945 | 54% | 0.536 | S | S | * | . | 50 | -3.7 | 122.9 | 53.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 303 | S | 38.5 | Very low | 52.2 | Low | 99 Ų | 99 | 92.4 Ų | 92.4 | 69% | 0.692 | 52% | 0.522 | S | S | * | . | trans | -75.9 | 123.8 | 168.9 | 59 | 0 | 0 | 0 | 0 | 109.6 | C301 S305 | C301-S303 PolarHBondContact O-N 3.16Å; S303-S305 PolarHBondContact O-N 3.11Å | ||
| 304 | Q | 38.4 | Very low | 53.9 | Low | 173 Ų | 173 | 87.7 Ų | 87.7 | 81% | 0.808 | 50% | 0.497 | S | S | * | . | trans | -60.5 | 107 | 162.9 | -76.7 | 175.3 | -55.3 | 0 | 0 | 107.9 | S306 | Q304-S306 PolarHBondContact O-N 3.38Å; Q304-S306 VanDerWaalsContact O-N 3.11Å | ||
| 305 | S | 36.1 | Very low | 56 | Low | 56 Ų | 56 | 84 Ų | 84 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | trans | -63.2 | 115.7 | 179.5 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | S303 Y307 | S303-S305 PolarHBondContact O-N 3.11Å; S305-Y307 PolarHBondContact O-N 2.83Å; S305-Y307 WeakPolarHBondContact OG-CE1 3.35Å | ||
| 306 | S | 45.8 | Very low | 58.1 | Low | 65 Ų | 65 | 80.1 Ų | 80.1 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | trans | -57.1 | 105.6 | -178 | 55 | 0 | 0 | 0 | 0 | 111.8 | Q304 T308 V800 | Q304-S306 PolarHBondContact O-N 3.38Å; Q304-S306 VanDerWaalsContact O-N 3.11Å; S306-T308 PolarHBondContact O-N 3.1Å; S306-V800 VanDerWaalsContact CB-CG2 3.5Å; S306-V800 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 307 | Y | 54.5 | Low | 60.1 | Low | 123 Ų | 123 | 79.2 Ų | 79.2 | 48% | 0.482 | 43% | 0.431 | S | S | . | . | trans | -76.3 | 94.5 | 179 | -60.8 | -59.6 | 0 | 0 | 0 | 110.3 | L292 S305 W309 | L292-Y307 HydrophobicContact CD1-CE1 3.87Å; L292-Y307 HydrophobicContact CD2-CE1 4.31Å; L292-Y307 HydrophobicContact CG-CE1 4.28Å; S305-Y307 PolarHBondContact O-N 2.83Å; S305-Y307 WeakPolarHBondContact OG-CE1 3.35Å; Y307-W309 PolarHBondContact O-N 3.4Å | ||
| 308 | T | 61.8 | Low | 62.4 | Low | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | trans | -70.4 | 128.8 | 169.4 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | S306 E310 K771 | S306-T308 PolarHBondContact O-N 3.1Å; T308-E310 PolarHBondContact OG1-OE1 3.2Å; T308-K771 PolarHBondContact OG1-NZ 2.91Å; T308-K771 VanDerWaalsContact OG1-NZ 3.15Å | ||
| 309 | W | 74.8 | Confident | 64.6 | Low | 65 Ų | 65 | 66.8 Ų | 66.8 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.5 | 170.8 | -56.8 | 9.7 | 0 | 0 | 0 | 108.6 | E225 P263 T265 Y287 C288 L289 Y307 L772 | E225-W309 HydrophobicContact CB-CH2 3.69Å; E225-W309 HydrophobicContact CB-CZ3 4.14Å; E225-W309 HydrophobicContact CG-CH2 3.73Å; E225-W309 HydrophobicContact CG-CZ2 4.48Å; E225-W309 HydrophobicContact CG-CZ3 4.25Å; P263-W309 HydrophobicContact CB-CD2 3.42Å; P263-W309 VanDerWaalsContact CB-CD2 3.42Å; P263-W309 HydrophobicContact CB-CE3 3.87Å; P263-W309 HydrophobicContact CB-CG 3.83Å; P263-W309 HydrophobicContact CB-CH2 4.08Å; P263-W309 HydrophobicContact CB-CZ2 3.65Å; P263-W309 HydrophobicContact CB-CZ3 4.19Å; P263-W309 HydrophobicContact CG-CD2 3.98Å; P263-W309 HydrophobicContact CG-CE3 4.04Å; P263-W309 HydrophobicContact CG-CG 4.33Å; P263-W309 HydrophobicContact CG-CZ3 4.45Å; T265-W309 HydrophobicContact CG2-CH2 4.16Å; T265-W309 HydrophobicContact CG2-CZ2 4.42Å; Y287-W309 HydrophobicContact CD1-CE3 4.27Å; C288-W309 WeakPolarHBondContact O-CA 3.22Å; L289-W309 HydrophobicContact CD2-CG 4.25Å; Y307-W309 PolarHBondContact O-N 3.4Å; W309-L772 HydrophobicContact CB-CD1 3.73Å; W309-L772 HydrophobicContact CD2-CD1 4.06Å; W309-L772 HydrophobicContact CE3-CD1 3.46Å; W309-L772 VanDerWaalsContact CE3-CD1 3.46Å; W309-L772 HydrophobicContact CG-CD1 4.24Å; W309-L772 HydrophobicContact CZ3-CD1 4.36Å |
| 310 | E | 83.9 | Confident | 67 | Low | 5 Ų | 5 | 66.4 Ų | 66.4 | 2% | 0.023 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.6 | 171.3 | -58.2 | -73 | 153.8 | 0 | 0 | 109.1 | C288 A290 T308 W347 T769 K771 | C288-E310 PolarHBondContact N-O 3.33Å; C288-E310 PolarHBondContact O-N 2.8Å; C288-E310 VanDerWaalsContact O-O 3.1Å; C288-E310 PolarHBondContact SG-O 3.07Å; A290-E310 HydrophobicContact CB-CG 4.05Å; T308-E310 PolarHBondContact OG1-OE1 3.2Å; E310-W347 HydrophobicContact CB-CD2 4.11Å; E310-W347 HydrophobicContact CB-CG 4.01Å; E310-W347 HydrophobicContact CG-CB 4.17Å; E310-W347 HydrophobicContact CG-CD2 4.32Å; E310-W347 HydrophobicContact CG-CG 3.97Å; E310-T769 WeakPolarHBondContact OE2-CB 3.49Å; E310-T769 PolarHBondContact OE2-OG1 3.08Å; E310-K771 WeakPolarHBondContact OE1-CE 3.46Å; E310-K771 IonicContact OE1-NZ 2.73Å; E310-K771 PolarHBondContact OE1-NZ 3.19Å |
| 311 | I | 86.2 | Confident | 69.6 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125 | 177.8 | -52.4 | 179.2 | 0 | 0 | 0 | 108.6 | T285 Y287 W347 K770 | T285-I311 HydrophobicContact CG2-CG2 4.09Å; Y287-I311 HydrophobicContact CD1-CG1 3.99Å; Y287-I311 HydrophobicContact CE1-CD1 3.77Å; Y287-I311 HydrophobicContact CE1-CG1 3.73Å; I311-W347 PolarHBondContact O-NE1 3.02Å; I311-W347 VanDerWaalsContact O-NE1 3.15Å; I311-K770 HydrophobicContact CD1-CB 4.45Å |
| 312 | L | 90.9 | Very high | 72.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 126.5 | 162.3 | 179.9 | 62 | 0 | 0 | 0 | 107.7 | L253 L255 L260 T285 S286 I314 W347 I356 | L253-L312 HydrophobicContact CD1-CD2 4.18Å; L255-L312 HydrophobicContact CD2-CD1 4.06Å; L255-L312 HydrophobicContact CD2-CD2 4.36Å; L260-L312 HydrophobicContact CD1-CD2 4.44Å; T285-L312 CarbonylContact C-O 3.55Å; T285-L312 VanDerWaalsContact CA-O 3.29Å; T285-L312 WeakPolarHBondContact CA-O 3.32Å; S286-L312 PolarHBondContact N-O 3.41Å; S286-L312 PolarHBondContact O-N 3.29Å; L312-I314 HydrophobicContact CG-CG1 4.47Å; L312-W347 HydrophobicContact CB-CZ2 4.36Å; L312-W347 HydrophobicContact CD1-CZ2 4.39Å; L312-I356 HydrophobicContact CD1-CD1 4.28Å; L312-I356 HydrophobicContact CD2-CG2 4.1Å |
| 313 | T | 90.8 | Very high | 75.3 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.7 | 175.1 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | R283 I284 T285 Y315 | R283-T313 HydrophobicContact CB-CG2 4.04Å; R283-T313 HydrophobicContact CG-CG2 4.37Å; I284-T313 CarbonylContact O-C 3.59Å; I284-T313 WeakPolarHBondContact O-CA 3.35Å; T285-T313 HydrophobicContact CG2-CG2 4.15Å; T313-Y315 HydrophobicContact CG2-CD2 4.01Å; T313-Y315 HydrophobicContact CG2-CE2 3.45Å; T313-Y315 VanDerWaalsContact CG2-CE2 3.45Å |
| 314 | I | 91.5 | Very high | 77.9 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.5 | 178.7 | -49.8 | 177.3 | 0 | 0 | 0 | 108.2 | I284 L312 L319 F335 M337 I356 | I284-I314 HydrophobicContact CB-CB 4.23Å; I284-I314 PolarHBondContact N-O 2.88Å; I284-I314 PolarHBondContact O-N 3.38Å; L312-I314 HydrophobicContact CG-CG1 4.47Å; I314-L319 HydrophobicContact CG2-CD2 3.87Å; I314-F335 HydrophobicContact CD1-CD2 3.89Å; I314-F335 HydrophobicContact CD1-CE2 4.16Å; I314-F335 HydrophobicContact CD1-CG 4.14Å; I314-F335 HydrophobicContact CG2-CD1 4.46Å; I314-M337 HydrophobicContact CG2-CE 4.19Å; I314-M337 HydrophobicContact CG2-SD 3.97Å; I314-I356 HydrophobicContact CD1-CD1 3.94Å; I314-I356 HydrophobicContact CD1-CG2 4.06Å; I314-I356 HydrophobicContact CG1-CD1 3.94Å |
| 315 | Y | 88.8 | Confident | 80.4 | Confident | 82 Ų | 82 | 42.8 Ų | 42.8 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | trans | -97.8 | 122 | 178.7 | -74.7 | -80.6 | 0 | 0 | 0 | 110 | R283 T313 E317 L318 | R283-Y315 HydrophobicContact CB-CD1 4.21Å; R283-Y315 HydrophobicContact CB-CE1 4.03Å; T313-Y315 HydrophobicContact CG2-CD2 4.01Å; T313-Y315 HydrophobicContact CG2-CE2 3.45Å; T313-Y315 VanDerWaalsContact CG2-CE2 3.45Å; Y315-E317 WeakPolarHBondContact CD1-OE1 3.39Å; Y315-E317 PolarHBondContact O-N 2.88Å; Y315-L318 WeakPolarHBondContact O-CB 3.23Å; Y315-L318 PolarHBondContact O-N 2.89Å | ||
| 316 | P | 85 | Confident | 82.8 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -56.9 | -32.6 | -177 | -28 | 37.4 | 0 | 0 | 0 | 114.2 | N282 L318 L319 N387 L388 | N282-P316 WeakPolarHBondContact O-CD 3.29Å; P316-L318 PolarHBondContact O-N 2.96Å; P316-L319 WeakPolarHBondContact O-CB 3.45Å; P316-L319 PolarHBondContact O-N 2.85Å; P316-L319 VanDerWaalsContact O-N 3.09Å; P316-N387 HydrophobicContact CB-CB 3.86Å; P316-L388 HydrophobicContact CG-CD2 3.52Å; P316-L388 HydrophobicContact CG-CG 3.84Å |
| 317 | E | 83.7 | Confident | 84.8 | Confident | 63 Ų | 63 | 44 Ų | 44 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -67.4 | -20.4 | 177.5 | 65.1 | -85.3 | -160.3 | 0 | 0 | 113.5 | Y315 K937 | Y315-E317 WeakPolarHBondContact CD1-OE1 3.39Å; Y315-E317 PolarHBondContact O-N 2.88Å; E317-K937 PolarHBondContact O-NZ 3.44Å |
| 318 | L | 87.6 | Confident | 86.3 | Confident | 45 Ų | 45 | 45.5 Ų | 45.5 | 24% | 0.236 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -92.7 | 2.8 | 172.8 | -59.5 | -177.4 | 0 | 0 | 0 | 113.4 | Y315 P316 M337 T338 V344 | Y315-L318 WeakPolarHBondContact O-CB 3.23Å; Y315-L318 PolarHBondContact O-N 2.89Å; P316-L318 PolarHBondContact O-N 2.96Å; L318-M337 HydrophobicContact CB-CE 3.59Å; L318-M337 CarbonylContact O-C 3.55Å; L318-M337 WeakPolarHBondContact O-CA 3.29Å; L318-T338 PolarHBondContact O-N 3.08Å; L318-T338 PolarHBondContact O-OG1 2.78Å; L318-V344 HydrophobicContact CD1-CG1 4.13Å; L318-V344 HydrophobicContact CD1-CG2 4.32Å |
| 319 | L | 88.1 | Confident | 87.3 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130 | 173 | -61.3 | 177.7 | 0 | 0 | 0 | 111 | I314 P316 F335 M337 I391 I935 | I314-L319 HydrophobicContact CG2-CD2 3.87Å; P316-L319 WeakPolarHBondContact O-CB 3.45Å; P316-L319 PolarHBondContact O-N 2.85Å; P316-L319 VanDerWaalsContact O-N 3.09Å; L319-F335 HydrophobicContact CD1-CD1 4.1Å; L319-F335 HydrophobicContact CD2-CB 3.77Å; L319-F335 HydrophobicContact CD2-CD1 3.94Å; L319-F335 HydrophobicContact CD2-CG 4.33Å; L319-M337 HydrophobicContact CD2-CE 4.4Å; L319-M337 HydrophobicContact CD2-SD 3.74Å; L319-I391 HydrophobicContact CD1-CD1 4.24Å; L319-I935 HydrophobicContact CB-CD1 4.13Å |
| 320 | D | 87.6 | Confident | 88 | Confident | 89 Ų | 89 | 42.4 Ų | 42.4 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -51.9 | 170.9 | -178.8 | 68.8 | 0 | 0 | 0 | 110.2 | T336 T338 | D320-T336 PolarHBondContact N-O 3.46Å; D320-T338 HydrophobicContact CB-CG2 3.8Å |
| 321 | C | 86.6 | Confident | 88.4 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 22% | 0.223 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158.8 | 173.9 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | T336 | C321-T336 PolarHBondContact O-N 3.34Å; C321-T336 VanDerWaalsContact SG-CB 3.54Å |
| 322 | L | 90.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.6 | 176.8 | -171.5 | 75.6 | 0 | 0 | 0 | 109.4 | I324 V333 F335 I391 | L322-I324 HydrophobicContact CD2-CD1 3.92Å; L322-I324 HydrophobicContact CD2-CG1 4.24Å; L322-I324 HydrophobicContact CG-CD1 4.41Å; L322-I324 HydrophobicContact CG-CG1 4.17Å; L322-V333 HydrophobicContact CD1-CG1 3.82Å; L322-F335 HydrophobicContact CD1-CD1 3.46Å; L322-F335 VanDerWaalsContact CD1-CD1 3.46Å; L322-F335 HydrophobicContact CD1-CE1 3.66Å; L322-F335 HydrophobicContact CD1-CG 4.14Å; L322-F335 HydrophobicContact CD1-CZ 4.48Å; L322-I391 HydrophobicContact CD2-CB 4.47Å; L322-I391 HydrophobicContact CD2-CD1 4.15Å; L322-I391 HydrophobicContact CD2-CG1 3.76Å; L322-I391 HydrophobicContact CD2-CG2 4.14Å |
| 323 | D | 90.5 | Very high | 88.9 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126 | 176.6 | 170.5 | 41.5 | 0 | 0 | 0 | 108.2 | K325 R334 | D323-K325 VanDerWaalsContact OD1-CE 3.23Å; D323-K325 WeakPolarHBondContact OD1-CE 3.35Å; D323-K325 IonicContact OD1-NZ 3.73Å; D323-K325 PolarHBondContact OD1-NZ 2.72Å; D323-K325 WeakPolarHBondContact OD2-CE 3.42Å; D323-K325 IonicContact OD2-NZ 2.65Å; D323-K325 PolarHBondContact OD2-NZ 2.77Å; D323-R334 HydrophobicContact CB-CB 4.16Å; D323-R334 PolarHBondContact N-O 2.7Å; D323-R334 PolarHBondContact O-N 2.93Å |
| 324 | I | 92.3 | Very high | 89.1 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.1 | -177.7 | -57.5 | 178 | 0 | 0 | 0 | 108 | L322 I331 V332 V333 R394 L395 L398 | L322-I324 HydrophobicContact CD2-CD1 3.92Å; L322-I324 HydrophobicContact CD2-CG1 4.24Å; L322-I324 HydrophobicContact CG-CD1 4.41Å; L322-I324 HydrophobicContact CG-CG1 4.17Å; I324-I331 HydrophobicContact CG2-CG2 3.64Å; I324-V332 WeakPolarHBondContact CA-O 3.32Å; I324-V333 HydrophobicContact CG1-CG1 4.36Å; I324-V333 HydrophobicContact CG1-CG2 4.47Å; I324-V333 HydrophobicContact CG2-CG2 4.46Å; I324-R394 HydrophobicContact CD1-CB 4.43Å; I324-R394 HydrophobicContact CD1-CG 3.88Å; I324-L395 HydrophobicContact CD1-CD2 4.23Å; I324-L395 HydrophobicContact CG2-CD2 4.24Å; I324-L398 HydrophobicContact CG2-CD1 3.93Å |
| 325 | K | 90.5 | Very high | 89.2 | Confident | 64 Ų | 64 | 44 Ų | 44 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.6 | -178 | -77.9 | 161.6 | 178.1 | 152.5 | 0 | 110.6 | D323 V332 | D323-K325 VanDerWaalsContact OD1-CE 3.23Å; D323-K325 WeakPolarHBondContact OD1-CE 3.35Å; D323-K325 IonicContact OD1-NZ 3.73Å; D323-K325 PolarHBondContact OD1-NZ 2.72Å; D323-K325 WeakPolarHBondContact OD2-CE 3.42Å; D323-K325 IonicContact OD2-NZ 2.65Å; D323-K325 PolarHBondContact OD2-NZ 2.77Å; K325-V332 HydrophobicContact CB-CB 4.44Å; K325-V332 PolarHBondContact N-O 2.61Å; K325-V332 PolarHBondContact O-N 2.92Å |
| 326 | L | 87.7 | Confident | 89.5 | Confident | 71 Ų | 71 | 41.6 Ų | 41.6 | 37% | 0.372 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.5 | 169.3 | 178.8 | 57.2 | 0 | 0 | 0 | 108.7 | F401 F402 | L326-F401 HydrophobicContact CD2-CB 3.68Å; L326-F401 HydrophobicContact CD2-CG 4.11Å; L326-F402 HydrophobicContact CD1-CE1 3.7Å; L326-F402 HydrophobicContact CD1-CZ 4.25Å; L326-F402 HydrophobicContact CD2-CE1 4.41Å |
| 327 | E | 88.2 | Confident | 89.9 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 167 | 169.6 | -65.5 | -178.9 | -175.8 | 0 | 0 | 108.5 | G329 V330 V332 R359 | E327-G329 PolarHBondContact O-N 2.84Å; E327-V330 CarbonylContact C-O 3.51Å; E327-V330 PolarHBondContact N-O 2.95Å; E327-V330 PolarHBondContact O-N 2.79Å; E327-V332 HydrophobicContact CB-CG2 4.32Å; E327-V332 VanDerWaalsContact CD-CG2 3.41Å; E327-V332 HydrophobicContact CG-CG2 3.94Å; E327-V332 WeakPolarHBondContact OE2-CG2 3.43Å; E327-R359 IonicContact OE2-CZ 3.9Å; E327-R359 IonicContact OE2-NE 3.98Å; E327-R359 IonicContact OE2-NH2 3.14Å; E327-R359 PolarHBondContact OE2-NH2 3.32Å |
| 328 | T | 84.2 | Confident | 90.3 | Very high | 153 Ų | 153 | 41.6 Ų | 41.6 | 94% | 0.939 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 106.4 | -172.8 | -51 | 0 | 0 | 0 | 0 | 111.8 | V330 | T328-V330 VanDerWaalsContact C-N 3.32Š|
| 329 | G | 82.9 | Confident | 90.4 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 46% | 0.464 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 1.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E327 V362 | E327-G329 PolarHBondContact O-N 2.84Å; G329-V362 WeakPolarHBondContact O-CB 3.36Å; G329-V362 WeakPolarHBondContact O-CG2 3.43Å; G329-V362 PolarHBondContact O-N 3.07Å |
| 330 | V | 89.9 | Confident | 90.6 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 133 | -169.7 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | E327 T328 V332 R359 I360 | E327-V330 CarbonylContact C-O 3.51Å; E327-V330 PolarHBondContact N-O 2.95Å; E327-V330 PolarHBondContact O-N 2.79Å; T328-V330 VanDerWaalsContact C-N 3.32Å; V330-V332 HydrophobicContact CG1-CG2 4.04Å; V330-R359 HydrophobicContact CG1-CB 3.69Å; V330-R359 HydrophobicContact CG1-CG 4.31Å; V330-I360 CarbonylContact C-O 3.53Å; V330-I360 WeakPolarHBondContact CA-O 3.41Å |
| 331 | I | 92.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116 | 166.4 | -46.7 | 171.3 | 0 | 0 | 0 | 108.1 | I324 V333 I360 V362 L365 L395 L398 F402 | I324-I331 HydrophobicContact CG2-CG2 3.64Å; I331-V333 HydrophobicContact CG2-CG2 4.17Å; I331-I360 HydrophobicContact CB-CB 4.24Å; I331-I360 PolarHBondContact N-O 3.11Å; I331-I360 PolarHBondContact O-N 2.97Å; I331-V362 HydrophobicContact CD1-CG2 4.45Å; I331-V362 HydrophobicContact CG1-CG2 3.79Å; I331-L365 HydrophobicContact CD1-CD1 3.85Å; I331-L395 HydrophobicContact CD1-CD2 4.39Å; I331-L395 HydrophobicContact CG2-CD2 3.92Å; I331-L398 HydrophobicContact CD1-CD1 4.15Å; I331-L398 HydrophobicContact CG1-CD1 4.48Å; I331-L398 HydrophobicContact CG2-CD1 3.89Å; I331-F402 HydrophobicContact CD1-CE2 4.07Å; I331-F402 HydrophobicContact CD1-CZ 3.72Å; I331-F402 HydrophobicContact CG1-CZ 3.89Å |
| 332 | V | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.3 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | I324 K325 E327 V330 R334 E357 R359 | I324-V332 WeakPolarHBondContact CA-O 3.32Å; K325-V332 HydrophobicContact CB-CB 4.44Å; K325-V332 PolarHBondContact N-O 2.61Å; K325-V332 PolarHBondContact O-N 2.92Å; E327-V332 HydrophobicContact CB-CG2 4.32Å; E327-V332 VanDerWaalsContact CD-CG2 3.41Å; E327-V332 HydrophobicContact CG-CG2 3.94Å; E327-V332 WeakPolarHBondContact OE2-CG2 3.43Å; V330-V332 HydrophobicContact CG1-CG2 4.04Å; V332-R334 HydrophobicContact CG1-CG 4.36Å; V332-E357 HydrophobicContact CG1-CG 3.63Å; V332-R359 HydrophobicContact CG1-CG 4.42Å; V332-R359 HydrophobicContact CG2-CG 4.17Å |
| 333 | V | 94.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.2 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L322 I324 I331 F335 E357 A358 I360 L395 | L322-V333 HydrophobicContact CD1-CG1 3.82Å; I324-V333 HydrophobicContact CG1-CG1 4.36Å; I324-V333 HydrophobicContact CG1-CG2 4.47Å; I324-V333 HydrophobicContact CG2-CG2 4.46Å; I331-V333 HydrophobicContact CG2-CG2 4.17Å; V333-F335 HydrophobicContact CB-CE2 4.35Å; V333-F335 HydrophobicContact CG1-CD2 4.28Å; V333-F335 HydrophobicContact CG1-CE1 4.09Å; V333-F335 HydrophobicContact CG1-CE2 3.67Å; V333-F335 HydrophobicContact CG1-CZ 3.56Å; V333-E357 WeakPolarHBondContact O-CA 3.41Å; V333-A358 PolarHBondContact N-O 3.49Å; V333-A358 PolarHBondContact O-N 3.2Å; V333-I360 HydrophobicContact CG2-CD1 3.68Å; V333-I360 HydrophobicContact CG2-CG1 4.47Å; V333-L395 HydrophobicContact CG2-CD2 3.89Å |
| 334 | R | 94.9 | Very high | 90.2 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112 | 178.8 | -72.6 | 177.9 | 174.4 | -177.2 | 0.2 | 110.2 | D323 V332 V355 I356 E357 | D323-R334 HydrophobicContact CB-CB 4.16Å; D323-R334 PolarHBondContact N-O 2.7Å; D323-R334 PolarHBondContact O-N 2.93Å; V332-R334 HydrophobicContact CG1-CG 4.36Å; R334-V355 HydrophobicContact CB-CG1 4.38Å; R334-V355 HydrophobicContact CG-CG1 4.46Å; R334-I356 WeakPolarHBondContact CA-O 3.27Å; R334-E357 HydrophobicContact CG-CB 4.23Å; R334-E357 HydrophobicContact CG-CG 4.04Å; R334-E357 IonicContact CZ-OE2 2.68Å; R334-E357 IonicContact NE-OE2 3.67Å; R334-E357 PolarHBondContact NE-OE2 3.37Å; R334-E357 IonicContact NH2-OE2 3.5Å; R334-E357 PolarHBondContact NH2-OE2 3.03Å |
| 335 | F | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.2 | 171.4 | -54.1 | -87.1 | 0 | 0 | 0 | 108.2 | L275 I284 I314 L319 L322 V333 V355 I356 A358 I391 | L275-F335 HydrophobicContact CD2-CZ 4.47Å; I284-F335 HydrophobicContact CD1-CD1 4.49Å; I284-F335 HydrophobicContact CD1-CE1 3.55Å; I284-F335 HydrophobicContact CD1-CZ 3.81Å; I314-F335 HydrophobicContact CD1-CD2 3.89Å; I314-F335 HydrophobicContact CD1-CE2 4.16Å; I314-F335 HydrophobicContact CD1-CG 4.14Å; I314-F335 HydrophobicContact CG2-CD1 4.46Å; L319-F335 HydrophobicContact CD1-CD1 4.1Å; L319-F335 HydrophobicContact CD2-CB 3.77Å; L319-F335 HydrophobicContact CD2-CD1 3.94Å; L319-F335 HydrophobicContact CD2-CG 4.33Å; L322-F335 HydrophobicContact CD1-CD1 3.46Å; L322-F335 VanDerWaalsContact CD1-CD1 3.46Å; L322-F335 HydrophobicContact CD1-CE1 3.66Å; L322-F335 HydrophobicContact CD1-CG 4.14Å; L322-F335 HydrophobicContact CD1-CZ 4.48Å; V333-F335 HydrophobicContact CB-CE2 4.35Å; V333-F335 HydrophobicContact CG1-CD2 4.28Å; V333-F335 HydrophobicContact CG1-CE1 4.09Å; V333-F335 HydrophobicContact CG1-CE2 3.67Å; V333-F335 HydrophobicContact CG1-CZ 3.56Å; F335-V355 WeakPolarHBondContact O-CA 3.4Å; F335-I356 HydrophobicContact CB-CB 4.31Å; F335-I356 PolarHBondContact N-O 3.36Å; F335-I356 PolarHBondContact O-N 3.04Å; F335-A358 HydrophobicContact CE2-CB 4.31Å; F335-I391 HydrophobicContact CE1-CD1 4.47Å |
| 336 | T | 94.4 | Very high | 89.2 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.4 | 170.1 | -53.5 | 0 | 0 | 0 | 0 | 108.5 | D320 C321 V355 | D320-T336 PolarHBondContact N-O 3.46Å; C321-T336 PolarHBondContact O-N 3.34Å; C321-T336 VanDerWaalsContact SG-CB 3.54Å; T336-V355 HydrophobicContact CG2-CG2 4.42Å |
| 337 | M | 93.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 147 | -179.4 | -53.5 | -52.7 | -61.7 | 0 | 0 | 111.1 | I314 L318 L319 E339 V344 Y354 I356 | I314-M337 HydrophobicContact CG2-CE 4.19Å; I314-M337 HydrophobicContact CG2-SD 3.97Å; L318-M337 HydrophobicContact CB-CE 3.59Å; L318-M337 CarbonylContact O-C 3.55Å; L318-M337 WeakPolarHBondContact O-CA 3.29Å; L319-M337 HydrophobicContact CD2-CE 4.4Å; L319-M337 HydrophobicContact CD2-SD 3.74Å; M337-E339 VanDerWaalsContact C-N 3.3Å; M337-E339 WeakPolarHBondContact CB-O 3.17Å; M337-V344 HydrophobicContact CE-CG1 4.43Å; M337-Y354 WeakPolarHBondContact CB-O 3.15Å; M337-Y354 WeakPolarHBondContact CG-O 3.18Å; M337-Y354 PolarHBondContact N-O 2.78Å; M337-Y354 WeakPolarHBondContact O-CD1 3.24Å; M337-I356 HydrophobicContact CG-CD1 4.15Å; M337-I356 HydrophobicContact CG-CG1 4.48Å; M337-I356 HydrophobicContact SD-CD1 4Å |
| 338 | T | 91.8 | Very high | 88.8 | Confident | 66 Ų | 66 | 36 Ų | 36 | 41% | 0.405 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -70.9 | -27.3 | 170.6 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | L318 D320 | L318-T338 PolarHBondContact O-N 3.08Å; L318-T338 PolarHBondContact O-OG1 2.78Å; D320-T338 HydrophobicContact CB-CG2 3.8Å |
| 339 | E | 90.4 | Very high | 88.7 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -115.4 | 150.4 | 177.2 | -64.2 | -158.7 | 169.4 | 0 | 0 | 111.3 | M337 V344 R965 | M337-E339 VanDerWaalsContact C-N 3.3Å; M337-E339 WeakPolarHBondContact CB-O 3.17Å; E339-V344 HydrophobicContact CB-CG2 3.89Å; E339-R965 IonicContact OE1-CZ 2.7Å; E339-R965 IonicContact OE1-NH1 2.74Å; E339-R965 PolarHBondContact OE1-NH1 3.35Å; E339-R965 IonicContact OE2-CZ 3.37Å; E339-R965 IonicContact OE2-NH1 3.63Å; E339-R965 PolarHBondContact OE2-NH1 3.35Å |
| 340 | P | 91.6 | Very high | 88.8 | Confident | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -72.8 | 147.7 | -176.5 | 32 | -35.7 | 0 | 0 | 0 | 111.3 | K342 D343 V344 G353 Y354 | P340-K342 VanDerWaalsContact C-N 3.27Å; P340-K342 HydrophobicContact CB-CG 4.21Å; P340-K342 HydrophobicContact CG-CG 4.23Å; P340-K342 PolarHBondContact O-N 2.78Å; P340-K342 VanDerWaalsContact O-N 3.11Å; P340-D343 HydrophobicContact CG-CB 4.33Å; P340-D343 WeakPolarHBondContact CG-OD2 3.27Å; P340-D343 PolarHBondContact O-N 2.76Å; P340-V344 PolarHBondContact O-N 2.93Å; P340-G353 CarbonylContact C-O 3.59Å; P340-G353 WeakPolarHBondContact CA-O 3.44Å; P340-Y354 HydrophobicContact CB-CD1 4.23Å; P340-Y354 HydrophobicContact CB-CE1 3.84Å; P340-Y354 HydrophobicContact CB-CE2 4.18Å; P340-Y354 HydrophobicContact CG-CE1 4.27Å | ||
| 341 | I | 90.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.8 | -38.3 | -170.6 | -69.1 | 165.1 | 0 | 0 | 0 | 112.8 | L255 D343 V344 C345 A348 I351 G353 V355 I356 | L255-I341 HydrophobicContact CB-CD1 4.19Å; L255-I341 HydrophobicContact CB-CG2 4.5Å; L255-I341 HydrophobicContact CD1-CG2 4.04Å; L255-I341 HydrophobicContact CD2-CD1 4.34Å; L255-I341 HydrophobicContact CD2-CG2 4.32Å; I341-D343 PolarHBondContact O-N 2.88Å; I341-D343 VanDerWaalsContact O-N 3.16Å; I341-V344 PolarHBondContact O-N 2.96Å; I341-C345 HydrophobicContact CG2-CB 4.38Å; I341-C345 WeakPolarHBondContact O-CB 3.45Å; I341-C345 PolarHBondContact O-N 3.45Å; I341-A348 HydrophobicContact CG2-CB 3.92Å; I341-I351 HydrophobicContact CB-CB 4.34Å; I341-I351 HydrophobicContact CB-CG2 4.06Å; I341-I351 HydrophobicContact CD1-CG2 4.14Å; I341-I351 HydrophobicContact CG2-CB 4.12Å; I341-I351 HydrophobicContact CG2-CG2 4.11Å; I341-G353 WeakPolarHBondContact CG1-O 3.43Å; I341-G353 PolarHBondContact N-O 3.42Å; I341-V355 WeakPolarHBondContact CD1-O 3.15Å; I341-I356 HydrophobicContact CD1-CG1 3.98Å; I341-I356 HydrophobicContact CG1-CG1 4.27Å |
| 342 | K | 89 | Confident | 88.4 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 30% | 0.3 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.9 | -23 | 174 | 58.9 | 166.9 | -172.3 | 64.5 | 0 | 115.8 | P340 I351 | P340-K342 VanDerWaalsContact C-N 3.27Å; P340-K342 HydrophobicContact CB-CG 4.21Å; P340-K342 HydrophobicContact CG-CG 4.23Å; P340-K342 PolarHBondContact O-N 2.78Å; P340-K342 VanDerWaalsContact O-N 3.11Å; K342-I351 VanDerWaalsContact CB-O 3.29Å; K342-I351 WeakPolarHBondContact CB-O 3.43Å; K342-I351 WeakPolarHBondContact CG-O 3.04Å; K342-I351 PolarHBondContact N-O 3.21Å |
| 343 | D | 85.1 | Confident | 88.3 | Confident | 76 Ų | 76 | 43 Ų | 43 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -98.9 | -28.7 | -179 | -61 | -20.3 | 0 | 0 | 0 | 110.9 | P340 I341 | P340-D343 HydrophobicContact CG-CB 4.33Å; P340-D343 WeakPolarHBondContact CG-OD2 3.27Å; P340-D343 PolarHBondContact O-N 2.76Å; I341-D343 PolarHBondContact O-N 2.88Å; I341-D343 VanDerWaalsContact O-N 3.16Å |
| 344 | V | 81.8 | Confident | 88.3 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -82.3 | -35.3 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | L318 M337 E339 P340 I341 | L318-V344 HydrophobicContact CD1-CG1 4.13Å; L318-V344 HydrophobicContact CD1-CG2 4.32Å; M337-V344 HydrophobicContact CE-CG1 4.43Å; E339-V344 HydrophobicContact CB-CG2 3.89Å; P340-V344 PolarHBondContact O-N 2.93Å; I341-V344 PolarHBondContact O-N 2.96Å |
| 345 | C | 84 | Confident | 88.3 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | trans | -118.5 | 95.9 | -176.7 | -68.6 | 0 | 0 | 0 | 0 | 109.8 | I341 W347 A348 | I341-C345 HydrophobicContact CG2-CB 4.38Å; I341-C345 WeakPolarHBondContact O-CB 3.45Å; I341-C345 PolarHBondContact O-N 3.45Å; C345-W347 PolarHBondContact O-N 3.38Å; C345-A348 HydrophobicContact CB-CB 3.88Å; C345-A348 WeakPolarHBondContact O-CB 3.44Å; C345-A348 PolarHBondContact O-N 3.19Å | ||
| 346 | E | 78.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.4 | -174.2 | -66.2 | -160.9 | 118 | 0 | 0 | 114.4 | K349 I767 T769 | E346-K349 WeakPolarHBondContact O-CE 3.34Å; E346-K349 WeakPolarHBondContact O-CG 3.21Å; E346-I767 WeakPolarHBondContact OE2-CB 3.42Å; E346-I767 VanDerWaalsContact OE2-CG2 3.32Å; E346-I767 WeakPolarHBondContact OE2-CG2 3.4Å; E346-T769 HydrophobicContact CB-CG2 3.69Å |
| 347 | W | 82.3 | Confident | 88.4 | Confident | 43 Ų | 43 | 45.6 Ų | 45.6 | 16% | 0.163 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -23.6 | 174.3 | 53.6 | -100.4 | 0 | 0 | 0 | 113 | L255 L260 C288 A290 E310 I311 L312 C345 K349 T769 | L255-W347 HydrophobicContact CD1-CH2 3.62Å; L255-W347 HydrophobicContact CD1-CZ3 3.84Å; L260-W347 HydrophobicContact CD1-CH2 4.13Å; L260-W347 HydrophobicContact CD2-CH2 3.98Å; L260-W347 HydrophobicContact CD2-CZ3 4.14Å; C288-W347 VanDerWaalsContact SG-CZ2 3.59Å; A290-W347 HydrophobicContact CB-CE3 4.45Å; E310-W347 HydrophobicContact CB-CD2 4.11Å; E310-W347 HydrophobicContact CB-CG 4.01Å; E310-W347 HydrophobicContact CG-CB 4.17Å; E310-W347 HydrophobicContact CG-CD2 4.32Å; E310-W347 HydrophobicContact CG-CG 3.97Å; I311-W347 PolarHBondContact O-NE1 3.02Å; I311-W347 VanDerWaalsContact O-NE1 3.15Å; L312-W347 HydrophobicContact CB-CZ2 4.36Å; L312-W347 HydrophobicContact CD1-CZ2 4.39Å; C345-W347 PolarHBondContact O-N 3.38Å; W347-K349 VanDerWaalsContact C-N 3.33Å; W347-K349 PolarHBondContact O-N 2.94Å; W347-T769 HydrophobicContact CB-CG2 4.16Å; W347-T769 HydrophobicContact CG-CG2 4.46Å |
| 348 | A | 84.4 | Confident | 88.4 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | trans | -91.6 | 34.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L255 I341 C345 S350 I351 | L255-A348 HydrophobicContact CD1-CB 4.22Å; I341-A348 HydrophobicContact CG2-CB 3.92Å; C345-A348 HydrophobicContact CB-CB 3.88Å; C345-A348 WeakPolarHBondContact O-CB 3.44Å; C345-A348 PolarHBondContact O-N 3.19Å; A348-S350 PolarHBondContact O-N 2.94Å; A348-I351 HydrophobicContact CB-CD1 4.01Å; A348-I351 HydrophobicContact CB-CG1 4.29Å; A348-I351 PolarHBondContact O-N 2.78Å | ||
| 349 | K | 83.6 | Confident | 88.5 | Confident | 157 Ų | 157 | 45 Ų | 45 | 68% | 0.683 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21.1 | -167.9 | -54 | -170.4 | -177.9 | -177.8 | 0 | 115.7 | E346 W347 | E346-K349 WeakPolarHBondContact O-CE 3.34Å; E346-K349 WeakPolarHBondContact O-CG 3.21Å; W347-K349 VanDerWaalsContact C-N 3.33Å; W347-K349 PolarHBondContact O-N 2.94Å |
| 350 | S | 83.7 | Confident | 88.6 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 57% | 0.573 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.3 | 178 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | A348 S352 | A348-S350 PolarHBondContact O-N 2.94Å; S350-S352 PolarHBondContact O-N 2.58Å |
| 351 | I | 86.5 | Confident | 88.4 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | trans | -97 | 92.5 | -168.8 | -48.2 | -175.8 | 0 | 0 | 0 | 110.6 | L255 L258 I341 K342 A348 G353 | L255-I351 HydrophobicContact CB-CD1 3.56Å; L255-I351 HydrophobicContact CB-CG2 4.33Å; L255-I351 HydrophobicContact CD1-CD1 3.59Å; L255-I351 HydrophobicContact CG-CD1 4.22Å; L258-I351 HydrophobicContact CD2-CD1 3.77Å; L258-I351 HydrophobicContact CD2-CG1 4.36Å; I341-I351 HydrophobicContact CB-CB 4.34Å; I341-I351 HydrophobicContact CB-CG2 4.06Å; I341-I351 HydrophobicContact CD1-CG2 4.14Å; I341-I351 HydrophobicContact CG2-CB 4.12Å; I341-I351 HydrophobicContact CG2-CG2 4.11Å; K342-I351 VanDerWaalsContact CB-O 3.29Å; K342-I351 WeakPolarHBondContact CB-O 3.43Å; K342-I351 WeakPolarHBondContact CG-O 3.04Å; K342-I351 PolarHBondContact N-O 3.21Å; A348-I351 HydrophobicContact CB-CD1 4.01Å; A348-I351 HydrophobicContact CB-CG1 4.29Å; A348-I351 PolarHBondContact O-N 2.78Å; I351-G353 VanDerWaalsContact C-N 3.26Å; I351-G353 PolarHBondContact O-N 2.74Å | ||
| 352 | S | 88 | Confident | 88.1 | Confident | 84 Ų | 84 | 44.5 Ų | 44.5 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | trans | -80.6 | 1.8 | 179 | 62.6 | 0 | 0 | 0 | 0 | 115.1 | S350 | S350-S352 PolarHBondContact O-N 2.58Š| ||
| 353 | G | 91.9 | Very high | 87.7 | Confident | 19 Ų | 19 | 46 Ų | 46 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | trans | -83.5 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P340 I341 I351 | P340-G353 CarbonylContact C-O 3.59Å; P340-G353 WeakPolarHBondContact CA-O 3.44Å; I341-G353 WeakPolarHBondContact CG1-O 3.43Å; I341-G353 PolarHBondContact N-O 3.42Å; I351-G353 VanDerWaalsContact C-N 3.26Å; I351-G353 PolarHBondContact O-N 2.74Å | ||
| 354 | Y | 94.3 | Very high | 87.5 | Confident | 111 Ų | 111 | 43.9 Ų | 43.9 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | trans | -125.4 | -10.1 | -167.3 | -64.3 | -98.7 | 0 | 0 | 0 | 114.4 | C256 M337 P340 | C256-Y354 PolarHBondContact SG-N 2.87Å; M337-Y354 WeakPolarHBondContact CB-O 3.15Å; M337-Y354 WeakPolarHBondContact CG-O 3.18Å; M337-Y354 PolarHBondContact N-O 2.78Å; M337-Y354 WeakPolarHBondContact O-CD1 3.24Å; P340-Y354 HydrophobicContact CB-CD1 4.23Å; P340-Y354 HydrophobicContact CB-CE1 3.84Å; P340-Y354 HydrophobicContact CB-CE2 4.18Å; P340-Y354 HydrophobicContact CG-CE1 4.27Å | ||
| 355 | V | 94.7 | Very high | 87.5 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.5 | -172.6 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | C256 R334 F335 T336 I341 | C256-V355 WeakPolarHBondContact CA-O 3.21Å; C256-V355 PolarHBondContact N-O 3.47Å; C256-V355 PolarHBondContact SG-N 3.49Å; C256-V355 VanDerWaalsContact SG-N 3.4Å; C256-V355 PolarHBondContact SG-O 2.77Å; C256-V355 VanDerWaalsContact SG-O 3.34Å; R334-V355 HydrophobicContact CB-CG1 4.38Å; R334-V355 HydrophobicContact CG-CG1 4.46Å; F335-V355 WeakPolarHBondContact O-CA 3.4Å; T336-V355 HydrophobicContact CG2-CG2 4.42Å; I341-V355 WeakPolarHBondContact CD1-O 3.15Å |
| 356 | I | 94.7 | Very high | 87 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.4 | 168 | -55.6 | 172.5 | 0 | 0 | 0 | 107.2 | K254 L255 L312 I314 R334 F335 M337 I341 | K254-I356 WeakPolarHBondContact O-CA 3.37Å; L255-I356 HydrophobicContact CD2-CB 4.47Å; L255-I356 HydrophobicContact CD2-CD1 4.36Å; L255-I356 HydrophobicContact CD2-CG1 3.86Å; L255-I356 HydrophobicContact CD2-CG2 4.12Å; L312-I356 HydrophobicContact CD1-CD1 4.28Å; L312-I356 HydrophobicContact CD2-CG2 4.1Å; I314-I356 HydrophobicContact CD1-CD1 3.94Å; I314-I356 HydrophobicContact CD1-CG2 4.06Å; I314-I356 HydrophobicContact CG1-CD1 3.94Å; R334-I356 WeakPolarHBondContact CA-O 3.27Å; F335-I356 HydrophobicContact CB-CB 4.31Å; F335-I356 PolarHBondContact N-O 3.36Å; F335-I356 PolarHBondContact O-N 3.04Å; M337-I356 HydrophobicContact CG-CD1 4.15Å; M337-I356 HydrophobicContact CG-CG1 4.48Å; M337-I356 HydrophobicContact SD-CD1 4Å; I341-I356 HydrophobicContact CD1-CG1 3.98Å; I341-I356 HydrophobicContact CG1-CG1 4.27Å |
| 357 | E | 95.4 | Very high | 86.8 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.5 | 176.4 | -176.2 | 178.6 | 95.3 | 0 | 0 | 110.1 | L253 K254 V332 V333 R334 R359 | L253-E357 CarbonylContact C-O 3.55Å; L253-E357 WeakPolarHBondContact CA-O 3.28Å; K254-E357 HydrophobicContact CB-CB 4.27Å; K254-E357 WeakPolarHBondContact CD-OE1 3.27Å; K254-E357 VanDerWaalsContact CE-OE1 3.28Å; K254-E357 WeakPolarHBondContact CE-OE1 3.39Å; K254-E357 PolarHBondContact N-O 3.01Å; K254-E357 IonicContact NZ-OE1 3.76Å; K254-E357 PolarHBondContact NZ-OE1 3.27Å; K254-E357 PolarHBondContact O-N 3.35Å; V332-E357 HydrophobicContact CG1-CG 3.63Å; V333-E357 WeakPolarHBondContact O-CA 3.41Å; R334-E357 HydrophobicContact CG-CB 4.23Å; R334-E357 HydrophobicContact CG-CG 4.04Å; R334-E357 IonicContact CZ-OE2 2.68Å; R334-E357 IonicContact NE-OE2 3.67Å; R334-E357 PolarHBondContact NE-OE2 3.37Å; R334-E357 IonicContact NH2-OE2 3.5Å; R334-E357 PolarHBondContact NH2-OE2 3.03Å; E357-R359 HydrophobicContact CG-CG 4.36Å |
| 358 | A | 95 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | L253 L275 V333 F335 | L253-A358 HydrophobicContact CD2-CB 3.53Å; L275-A358 HydrophobicContact CD2-CB 4.13Å; V333-A358 PolarHBondContact N-O 3.49Å; V333-A358 PolarHBondContact O-N 3.2Å; F335-A358 HydrophobicContact CE2-CB 4.31Å |
| 359 | R | 94 | Very high | 86.5 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 97.1 | 179.4 | -64.4 | -171.5 | 99.5 | -136.8 | 10 | 109.2 | C250 E251 A252 E327 V330 V332 E357 | C250-R359 CarbonylContact C-O 3.59Å; C250-R359 WeakPolarHBondContact CA-O 3.37Å; C250-R359 WeakPolarHBondContact CB-O 3.45Å; E251-R359 HydrophobicContact CG-CB 3.76Å; E251-R359 VanDerWaalsContact CG-O 3.27Å; E251-R359 WeakPolarHBondContact CG-O 3.46Å; E251-R359 PolarHBondContact N-O 3.3Å; E251-R359 WeakPolarHBondContact OE1-CB 3.11Å; E251-R359 WeakPolarHBondContact OE1-CD 3.37Å; E251-R359 IonicContact OE1-CZ 3.79Å; E251-R359 IonicContact OE1-NE 2.65Å; E251-R359 IonicContact OE1-NH1 2.73Å; E251-R359 PolarHBondContact OE1-NH1 3.1Å; E251-R359 IonicContact OE2-NH1 2.66Å; A252-R359 HydrophobicContact CB-CB 4.29Å; A252-R359 HydrophobicContact CB-CG 4.45Å; A252-R359 PolarHBondContact O-N 3.22Å; E327-R359 IonicContact OE2-CZ 3.9Å; E327-R359 IonicContact OE2-NE 3.98Å; E327-R359 IonicContact OE2-NH2 3.14Å; E327-R359 PolarHBondContact OE2-NH2 3.32Å; V330-R359 HydrophobicContact CG1-CB 3.69Å; V330-R359 HydrophobicContact CG1-CG 4.31Å; V332-R359 HydrophobicContact CG1-CG 4.42Å; V332-R359 HydrophobicContact CG2-CG 4.17Å; E357-R359 HydrophobicContact CG-CG 4.36Å |
| 360 | I | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.3 | -176.9 | -59.2 | 168.8 | 0 | 0 | 0 | 109.3 | L248 P249 V330 I331 V333 V362 L365 L395 | L248-I360 HydrophobicContact CD1-CD1 4.13Å; P249-I360 WeakPolarHBondContact O-CA 3.46Å; V330-I360 CarbonylContact C-O 3.53Å; V330-I360 WeakPolarHBondContact CA-O 3.41Å; I331-I360 HydrophobicContact CB-CB 4.24Å; I331-I360 PolarHBondContact N-O 3.11Å; I331-I360 PolarHBondContact O-N 2.97Å; V333-I360 HydrophobicContact CG2-CD1 3.68Å; V333-I360 HydrophobicContact CG2-CG1 4.47Å; I360-V362 PolarHBondContact O-N 2.92Å; I360-L365 HydrophobicContact CG2-CD1 4.03Å; I360-L365 HydrophobicContact CG2-CD2 3.78Å; I360-L365 HydrophobicContact CG2-CG 4.02Å; I360-L395 HydrophobicContact CD1-CD1 4.01Å; I360-L395 HydrophobicContact CD1-CD2 4.19Å |
| 361 | I | 86.1 | Confident | 86.1 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 113.1 | -177.2 | -57.4 | 162.3 | 0 | 0 | 0 | 109.3 | P249 E251 V272 S363 A364 L365 | P249-I361 PolarHBondContact O-N 3.23Å; P249-I361 VanDerWaalsContact O-N 3.08Å; E251-I361 HydrophobicContact CB-CD1 3.87Å; E251-I361 HydrophobicContact CB-CG1 3.71Å; E251-I361 HydrophobicContact CG-CG1 3.85Å; V272-I361 HydrophobicContact CG1-CD1 3.64Å; I361-S363 WeakPolarHBondContact CG2-OG 3.38Å; I361-S363 PolarHBondContact O-N 3.14Å; I361-A364 HydrophobicContact CB-CB 3.98Å; I361-A364 HydrophobicContact CG2-CB 3.87Å; I361-A364 PolarHBondContact O-N 3.44Å; I361-A364 VanDerWaalsContact O-N 3.17Å; I361-L365 PolarHBondContact O-N 2.96Å |
| 362 | V | 85.5 | Confident | 85.8 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -61.2 | -43.9 | -176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | G329 I331 I360 A364 L365 F402 | G329-V362 WeakPolarHBondContact O-CB 3.36Å; G329-V362 WeakPolarHBondContact O-CG2 3.43Å; G329-V362 PolarHBondContact O-N 3.07Å; I331-V362 HydrophobicContact CD1-CG2 4.45Å; I331-V362 HydrophobicContact CG1-CG2 3.79Å; I360-V362 PolarHBondContact O-N 2.92Å; V362-A364 PolarHBondContact O-N 2.96Å; V362-L365 WeakPolarHBondContact O-CB 3.42Å; V362-L365 PolarHBondContact O-N 2.99Å; V362-L365 VanDerWaalsContact O-N 3.08Å; V362-F402 HydrophobicContact CB-CE1 4.35Å; V362-F402 HydrophobicContact CG1-CB 4.47Å; V362-F402 HydrophobicContact CG1-CD1 3.44Å; V362-F402 VanDerWaalsContact CG1-CD1 3.44Å; V362-F402 HydrophobicContact CG1-CD2 4.26Å; V362-F402 HydrophobicContact CG1-CE1 3.64Å; V362-F402 HydrophobicContact CG1-CE2 4.43Å; V362-F402 HydrophobicContact CG1-CG 3.8Å; V362-F402 HydrophobicContact CG1-CZ 4.16Å; V362-F402 HydrophobicContact CG2-CD1 4.33Å; V362-F402 HydrophobicContact CG2-CE1 3.66Å; V362-F402 HydrophobicContact CG2-CZ 3.92Å |
| 363 | S | 81.3 | Confident | 85.3 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 70% | 0.699 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -69.7 | -11.5 | -179.4 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | I361 | I361-S363 WeakPolarHBondContact CG2-OG 3.38Å; I361-S363 PolarHBondContact O-N 3.14Å |
| 364 | A | 80 | Confident | 84.7 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -101.5 | -4.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P249 I361 V362 S366 | P249-A364 HydrophobicContact CB-CB 4.11Å; P249-A364 HydrophobicContact CG-CB 3.53Å; I361-A364 HydrophobicContact CB-CB 3.98Å; I361-A364 HydrophobicContact CG2-CB 3.87Å; I361-A364 PolarHBondContact O-N 3.44Å; I361-A364 VanDerWaalsContact O-N 3.17Å; V362-A364 PolarHBondContact O-N 2.96Å; A364-S366 PolarHBondContact O-N 3.29Å |
| 365 | L | 82.5 | Confident | 83.3 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -73.3 | 120.1 | 168.2 | -67 | 176.6 | 0 | 0 | 0 | 109.6 | L248 I331 I360 I361 V362 F369 F370 | L248-L365 HydrophobicContact CD2-CD2 3.9Å; I331-L365 HydrophobicContact CD1-CD1 3.85Å; I360-L365 HydrophobicContact CG2-CD1 4.03Å; I360-L365 HydrophobicContact CG2-CD2 3.78Å; I360-L365 HydrophobicContact CG2-CG 4.02Å; I361-L365 PolarHBondContact O-N 2.96Å; V362-L365 WeakPolarHBondContact O-CB 3.42Å; V362-L365 PolarHBondContact O-N 2.99Å; V362-L365 VanDerWaalsContact O-N 3.08Å; L365-F369 HydrophobicContact CD2-CD1 4.28Å; L365-F370 HydrophobicContact CB-CE2 3.82Å; L365-F370 HydrophobicContact CB-CZ 4.29Å; L365-F370 HydrophobicContact CD1-CE2 4.23Å; L365-F370 HydrophobicContact CD1-CZ 3.82Å |
| 366 | S | 73 | Confident | 81.3 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | trans | -63.7 | 146.9 | 176 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | A364 D368 F369 F370 S426 I427 | A364-S366 PolarHBondContact O-N 3.29Å; S366-D368 PolarHBondContact O-N 3.29Å; S366-F369 PolarHBondContact O-N 2.95Å; S366-F369 VanDerWaalsContact O-N 3.15Å; S366-F369 WeakPolarHBondContact OG-CB 3.36Å; S366-F369 PolarHBondContact OG-N 3.25Å; S366-F369 VanDerWaalsContact OG-N 3.15Å; S366-F370 WeakPolarHBondContact O-CD2 3.26Å; S366-S426 WeakPolarHBondContact CB-O 3.43Å; S366-I427 VanDerWaalsContact CB-O 3.24Å; S366-I427 WeakPolarHBondContact CB-O 3.42Å; S366-I427 VanDerWaalsContact OG-CA 3.28Å; S366-I427 WeakPolarHBondContact OG-CA 3.32Å; S366-I427 PolarHBondContact OG-O 2.79Å | ||
| 367 | K | 74.6 | Confident | 78.8 | Confident | 103 Ų | 103 | 48.1 Ų | 48.1 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.5 | 166.4 | -66.6 | -172.9 | 178.1 | -170.8 | 0 | 111.2 | F370 Q371 F404 | K367-F370 PolarHBondContact O-N 3.11Å; K367-Q371 WeakPolarHBondContact O-CG 3.22Å; K367-Q371 PolarHBondContact O-N 3.18Å; K367-F404 HydrophobicContact CG-CD1 4.09Å; K367-F404 HydrophobicContact CG-CE1 4.38Å |
| 368 | D | 74.9 | Confident | 76.3 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -35.8 | 178.5 | -65.3 | -7.5 | 0 | 0 | 0 | 113 | K239 S366 F370 Q371 L372 S426 I427 | K239-D368 WeakPolarHBondContact CE-OD1 3.42Å; K239-D368 WeakPolarHBondContact CE-OD2 3.41Å; K239-D368 IonicContact NZ-OD1 3.08Å; K239-D368 PolarHBondContact NZ-OD1 2.83Å; K239-D368 IonicContact NZ-OD2 3.84Å; K239-D368 PolarHBondContact NZ-OD2 2.87Å; S366-D368 PolarHBondContact O-N 3.29Å; D368-F370 VanDerWaalsContact C-N 3.28Å; D368-F370 PolarHBondContact O-N 3.33Å; D368-Q371 CarbonylContact O-C 3.56Å; D368-Q371 WeakPolarHBondContact O-CA 3.4Å; D368-Q371 PolarHBondContact O-N 3.07Å; D368-L372 PolarHBondContact O-N 3.43Å; D368-S426 PolarHBondContact OD2-N 3.23Å; D368-I427 HydrophobicContact CB-CB 4.47Å; D368-I427 HydrophobicContact CB-CD1 4.15Å; D368-I427 HydrophobicContact CB-CG1 3.33Å |
| 369 | F | 83.9 | Confident | 74 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -57.9 | -40.4 | 174 | 164.6 | -106.6 | 0 | 0 | 0 | 112.2 | V246 L248 L365 S366 Q371 L372 L392 L395 Q396 | V246-F369 HydrophobicContact CG1-CD2 3.88Å; V246-F369 HydrophobicContact CG1-CE2 4Å; L248-F369 HydrophobicContact CD1-CE2 4.38Å; L248-F369 HydrophobicContact CD1-CZ 4.38Å; L248-F369 HydrophobicContact CD2-CD2 3.73Å; L248-F369 HydrophobicContact CD2-CE2 3.82Å; L248-F369 HydrophobicContact CD2-CG 4.19Å; L248-F369 HydrophobicContact CD2-CZ 4.34Å; L365-F369 HydrophobicContact CD2-CD1 4.28Å; S366-F369 PolarHBondContact O-N 2.95Å; S366-F369 VanDerWaalsContact O-N 3.15Å; S366-F369 WeakPolarHBondContact OG-CB 3.36Å; S366-F369 PolarHBondContact OG-N 3.25Å; S366-F369 VanDerWaalsContact OG-N 3.15Å; F369-Q371 PolarHBondContact O-N 3.22Å; F369-L372 HydrophobicContact CD2-CD1 4.14Å; F369-L372 WeakPolarHBondContact O-CB 3.28Å; F369-L372 PolarHBondContact O-N 3.04Å; F369-L392 HydrophobicContact CE2-CD2 4.15Å; F369-L395 HydrophobicContact CE1-CB 4.45Å; F369-L395 HydrophobicContact CZ-CB 4.04Å; F369-Q396 HydrophobicContact CE1-CG 4.01Å; F369-Q396 HydrophobicContact CE2-CG 4.24Å; F369-Q396 HydrophobicContact CZ-CG 3.78Å; F369-Q396 PolarHBondContact O-NE2 3.07Å |
| 370 | F | 81.9 | Confident | 71.4 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -74.9 | -10.9 | 177 | -62.5 | -78.9 | 0 | 0 | 0 | 113.4 | L365 S366 K367 D368 Q396 C399 F402 F404 | L365-F370 HydrophobicContact CB-CE2 3.82Å; L365-F370 HydrophobicContact CB-CZ 4.29Å; L365-F370 HydrophobicContact CD1-CE2 4.23Å; L365-F370 HydrophobicContact CD1-CZ 3.82Å; S366-F370 WeakPolarHBondContact O-CD2 3.26Å; K367-F370 PolarHBondContact O-N 3.11Å; D368-F370 VanDerWaalsContact C-N 3.28Å; D368-F370 PolarHBondContact O-N 3.33Å; F370-Q396 HydrophobicContact CD1-CB 4.47Å; F370-C399 HydrophobicContact CD1-CB 3.59Å; F370-C399 HydrophobicContact CE1-CB 3.96Å; F370-C399 HydrophobicContact CG-CB 4.24Å; F370-F402 HydrophobicContact CE1-CD2 4.23Å; F370-F402 HydrophobicContact CE1-CE2 4.19Å; F370-F402 AromaticContact CZ-CD2 3.8Å; F370-F402 HydrophobicContact CZ-CD2 3.8Å; F370-F402 AromaticContact CZ-CE2 3.85Å; F370-F402 HydrophobicContact CZ-CE2 3.85Å; F370-F404 HydrophobicContact CD2-CE2 4.3Å; F370-F404 AromaticContact CD2-CZ 3.77Å; F370-F404 HydrophobicContact CD2-CZ 3.77Å; F370-F404 HydrophobicContact CE2-CE1 4.44Å; F370-F404 HydrophobicContact CE2-CE2 4.3Å; F370-F404 AromaticContact CE2-CZ 3.53Å; F370-F404 HydrophobicContact CE2-CZ 3.53Å; F370-F404 HydrophobicContact CZ-CZ 4.31Å |
| 371 | Q | 78.2 | Confident | 69.1 | Low | 129 Ų | 129 | 62.2 Ų | 62.2 | 60% | 0.603 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -100.5 | -7.6 | 174.5 | -64.1 | 175.6 | 30.7 | 0 | 0 | 113.2 | K367 D368 F369 K373 | K367-Q371 WeakPolarHBondContact O-CG 3.22Å; K367-Q371 PolarHBondContact O-N 3.18Å; D368-Q371 CarbonylContact O-C 3.56Å; D368-Q371 WeakPolarHBondContact O-CA 3.4Å; D368-Q371 PolarHBondContact O-N 3.07Å; F369-Q371 PolarHBondContact O-N 3.22Å; Q371-K373 PolarHBondContact O-N 2.84Å; Q371-K373 VanDerWaalsContact O-N 3.13Å |
| 372 | L | 80.5 | Confident | 67.3 | Low | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | trans | -57.3 | 116.9 | 175.1 | -80.4 | 178 | 0 | 0 | 0 | 110.8 | P243 V246 D368 F369 F374 Q396 I427 | P243-L372 HydrophobicContact CB-CD2 4.15Å; P243-L372 HydrophobicContact CG-CD1 4.33Å; P243-L372 HydrophobicContact CG-CD2 4.02Å; V246-L372 HydrophobicContact CG1-CD1 4.01Å; V246-L372 HydrophobicContact CG2-CD1 3.81Å; D368-L372 PolarHBondContact O-N 3.43Å; F369-L372 HydrophobicContact CD2-CD1 4.14Å; F369-L372 WeakPolarHBondContact O-CB 3.28Å; F369-L372 PolarHBondContact O-N 3.04Å; L372-F374 HydrophobicContact CB-CE2 4.47Å; L372-Q396 PolarHBondContact O-NE2 3.34Å; L372-I427 HydrophobicContact CD1-CD1 4Å; L372-I427 HydrophobicContact CD2-CD1 3.48Å; L372-I427 VanDerWaalsContact CD2-CD1 3.48Å; L372-I427 HydrophobicContact CG-CD1 3.72Å | ||
| 373 | K | 77.7 | Confident | 65.9 | Low | 155 Ų | 155 | 65.2 Ų | 65.2 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | trans | -88.9 | 141 | 170.3 | -59 | 178.8 | -177.7 | 173.7 | 0 | 108.9 | P243 Q371 T375 | P243-K373 WeakPolarHBondContact CD-O 3.45Å; Q371-K373 PolarHBondContact O-N 2.84Å; Q371-K373 VanDerWaalsContact O-N 3.13Å; K373-T375 HydrophobicContact CB-CG2 3.62Å; K373-T375 HydrophobicContact CD-CG2 4.41Å | ||
| 374 | F | 78 | Confident | 64.6 | Low | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | trans | -114.3 | 85.3 | 169.7 | -57.9 | -86 | 0 | 0 | 0 | 106.2 | P243 V246 L279 L372 V389 L392 R393 | P243-F374 HydrophobicContact CG-CD1 3.91Å; P243-F374 HydrophobicContact CG-CE1 3.56Å; P243-F374 HydrophobicContact CG-CZ 4.29Å; V246-F374 HydrophobicContact CG2-CE1 4.37Å; V246-F374 HydrophobicContact CG2-CZ 4.44Å; L279-F374 HydrophobicContact CD1-CD1 4.35Å; L279-F374 HydrophobicContact CD1-CE1 4.03Å; L372-F374 HydrophobicContact CB-CE2 4.47Å; F374-V389 HydrophobicContact CB-CG1 3.93Å; F374-V389 HydrophobicContact CD1-CG1 4.18Å; F374-V389 HydrophobicContact CD1-CG2 4.11Å; F374-V389 HydrophobicContact CD2-CG1 4.33Å; F374-V389 HydrophobicContact CG-CG1 3.9Å; F374-L392 HydrophobicContact CE1-CD1 3.95Å; F374-L392 HydrophobicContact CE2-CB 4.27Å; F374-L392 HydrophobicContact CZ-CB 3.85Å; F374-L392 HydrophobicContact CZ-CD1 3.83Å; F374-L392 HydrophobicContact CZ-CG 4.46Å; F374-R393 HydrophobicContact CD2-CG 4.13Å; F374-R393 HydrophobicContact CE2-CG 4.43Å; F374-R393 PolarHBondContact O-NH2 3.35Å | ||
| 375 | T | 64.5 | Low | 63.4 | Low | 98 Ų | 98 | 66.3 Ų | 66.3 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | trans | -90.9 | -18.8 | -166.5 | 65.7 | 0 | 0 | 0 | 0 | 114 | D242 K373 S377 | D242-T375 WeakPolarHBondContact OD1-CB 3.43Å; D242-T375 PolarHBondContact OD1-N 3.01Å; D242-T375 PolarHBondContact OD1-OG1 3.49Å; D242-T375 PolarHBondContact OD2-N 3.37Å; D242-T375 PolarHBondContact OD2-OG1 3.27Å; K373-T375 HydrophobicContact CB-CG2 3.62Å; K373-T375 HydrophobicContact CD-CG2 4.41Å; T375-S377 PolarHBondContact O-N 2.86Å | ||
| 376 | S | 54.3 | Low | 62.5 | Low | 31 Ų | 31 | 66.3 Ų | 66.3 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | trans | -56.5 | 116.6 | 180 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | D242 T378 V379 | D242-S376 WeakPolarHBondContact OD2-CB 3.23Å; D242-S376 PolarHBondContact OD2-N 3.11Å; S376-T378 WeakPolarHBondContact CB-OG1 3.42Å; S376-T378 PolarHBondContact O-N 3.49Å; S376-T378 VanDerWaalsContact O-N 3.09Å; S376-T378 PolarHBondContact OG-OG1 2.83Å; S376-V379 PolarHBondContact O-N 3.36Å | ||
| 377 | S | 40.8 | Very low | 62.9 | Low | 117 Ų | 117 | 68.8 Ų | 68.8 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 1.7 | 172.2 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | T375 V379 | T375-S377 PolarHBondContact O-N 2.86Å; S377-V379 PolarHBondContact O-N 2.66Å |
| 378 | T | 44.2 | Very low | 63.6 | Low | 85 Ų | 85 | 63.9 Ų | 63.9 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.3 | 169.3 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | S376 V380 E385 | S376-T378 WeakPolarHBondContact CB-OG1 3.42Å; S376-T378 PolarHBondContact O-N 3.49Å; S376-T378 VanDerWaalsContact O-N 3.09Å; S376-T378 PolarHBondContact OG-OG1 2.83Å; T378-V380 PolarHBondContact O-N 2.73Å; T378-E385 PolarHBondContact OG1-OE2 2.8Å |
| 379 | V | 45.9 | Very low | 64.1 | Low | 30 Ų | 30 | 63.1 Ų | 63.1 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | trans | -73.6 | 67.1 | 167.5 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | S376 S377 A386 | S376-V379 PolarHBondContact O-N 3.36Å; S377-V379 PolarHBondContact O-N 2.66Å; V379-A386 HydrophobicContact CG1-CB 3.68Å | ||
| 380 | V | 39.2 | Very low | 64.2 | Low | 93 Ų | 93 | 66.6 Ų | 66.6 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | trans | -63.9 | 137.2 | 154.2 | -173.3 | 0 | 0 | 0 | 0 | 106.5 | T378 D382 S383 | T378-V380 PolarHBondContact O-N 2.73Å; V380-D382 HydrophobicContact CG1-CB 4.12Å; V380-D382 PolarHBondContact O-N 3.25Å; V380-S383 PolarHBondContact O-N 2.81Å; V380-S383 PolarHBondContact O-OG 2.84Å | ||
| 381 | D | 44.7 | Very low | 64.5 | Low | 157 Ų | 157 | 65.3 Ų | 65.3 | 84% | 0.84 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -13.8 | 179.8 | -62.1 | -41.5 | 0 | 0 | 0 | 114.7 | ||
| 382 | D | 48 | Very low | 65.1 | Low | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1.3 | -178 | -106.5 | 34.4 | 0 | 0 | 0 | 113.8 | V380 K977 | V380-D382 HydrophobicContact CG1-CB 4.12Å; V380-D382 PolarHBondContact O-N 3.25Å; D382-K977 VanDerWaalsContact CG-CE 3.45Å; D382-K977 PolarHBondContact O-NZ 2.99Å; D382-K977 VanDerWaalsContact OD2-CD 3.3Å; D382-K977 WeakPolarHBondContact OD2-CD 3.48Å; D382-K977 WeakPolarHBondContact OD2-CE 3.4Å; D382-K977 IonicContact OD2-NZ 2.94Å; D382-K977 PolarHBondContact OD2-NZ 3.31Å; D382-K977 VanDerWaalsContact OD2-NZ 3.08Å |
| 383 | S | 55 | Low | 65.5 | Low | 33 Ų | 33 | 63 Ų | 63 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -90.8 | 156.4 | -177.5 | 92 | 0 | 0 | 0 | 0 | 112.9 | V380 A386 | V380-S383 PolarHBondContact O-N 2.81Å; V380-S383 PolarHBondContact O-OG 2.84Å; S383-A386 VanDerWaalsContact O-CB 3.25Å; S383-A386 WeakPolarHBondContact O-CB 3.39Å; S383-A386 PolarHBondContact OG-N 3.19Å |
| 384 | E | 54.9 | Low | 65.9 | Low | 109 Ų | 109 | 61.1 Ų | 61.1 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -82.6 | -35 | -175.4 | -61.6 | -175.4 | 159.2 | 0 | 0 | 112.3 | N282 A386 N387 | N282-E384 PolarHBondContact OD1-O 3.45Å; N282-E384 VanDerWaalsContact OD1-O 3.07Å; E384-A386 PolarHBondContact O-N 3.27Å; E384-A386 VanDerWaalsContact O-N 3.16Å; E384-N387 WeakPolarHBondContact CA-ND2 3.27Å; E384-N387 WeakPolarHBondContact O-CB 3.4Å; E384-N387 PolarHBondContact O-N 3.35Å; E384-N387 PolarHBondContact O-ND2 2.76Å |
| 385 | E | 55.4 | Low | 66.4 | Low | 46 Ų | 46 | 60.3 Ų | 60.3 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -50.2 | -35 | 167.4 | -179.6 | -178.5 | -141.5 | 0 | 0 | 112.1 | T378 N387 L388 V389 | T378-E385 PolarHBondContact OG1-OE2 2.8Å; E385-N387 PolarHBondContact O-N 3.4Å; E385-L388 PolarHBondContact O-N 2.95Å; E385-V389 HydrophobicContact CG-CG2 4.22Å; E385-V389 WeakPolarHBondContact O-CG2 3.24Å; E385-V389 PolarHBondContact O-N 2.68Å; E385-V389 VanDerWaalsContact O-N 3.09Å |
| 386 | A | 63.8 | Low | 67.5 | Low | 9 Ų | 9 | 56.9 Ų | 56.9 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.9 | -33.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V379 S383 E384 C390 | V379-A386 HydrophobicContact CG1-CB 3.68Å; S383-A386 VanDerWaalsContact O-CB 3.25Å; S383-A386 WeakPolarHBondContact O-CB 3.39Å; S383-A386 PolarHBondContact OG-N 3.19Å; E384-A386 PolarHBondContact O-N 3.27Å; E384-A386 VanDerWaalsContact O-N 3.16Å; A386-C390 WeakPolarHBondContact O-CB 3.46Å; A386-C390 PolarHBondContact O-N 2.94Å; A386-C390 PolarHBondContact O-SG 2.89Å |
| 387 | N | 80.3 | Confident | 69 | Low | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -50.7 | -179.4 | -60.4 | -71.9 | 0 | 0 | 0 | 111.2 | P316 E384 E385 C390 I391 | P316-N387 HydrophobicContact CB-CB 3.86Å; E384-N387 WeakPolarHBondContact CA-ND2 3.27Å; E384-N387 WeakPolarHBondContact O-CB 3.4Å; E384-N387 PolarHBondContact O-N 3.35Å; E384-N387 PolarHBondContact O-ND2 2.76Å; E385-N387 PolarHBondContact O-N 3.4Å; N387-C390 PolarHBondContact O-N 3.49Å; N387-I391 WeakPolarHBondContact O-CG1 3.43Å; N387-I391 PolarHBondContact O-N 3.34Å |
| 388 | L | 88.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 177.8 | -68 | -175.3 | 0 | 0 | 0 | 111.6 | F277 N278 L279 I284 P316 E385 C390 I391 L392 | F277-L388 HydrophobicContact CD1-CD2 4.18Å; N278-L388 WeakPolarHBondContact O-CD1 3.14Å; L279-L388 HydrophobicContact CD2-CB 3.56Å; L279-L388 HydrophobicContact CD2-CD1 3.91Å; L279-L388 HydrophobicContact CD2-CG 4.4Å; I284-L388 HydrophobicContact CD1-CD2 3.9Å; I284-L388 HydrophobicContact CG1-CD2 3.51Å; P316-L388 HydrophobicContact CG-CD2 3.52Å; P316-L388 HydrophobicContact CG-CG 3.84Å; E385-L388 PolarHBondContact O-N 2.95Å; L388-C390 VanDerWaalsContact C-N 3.29Å; L388-C390 PolarHBondContact O-N 2.82Å; L388-I391 PolarHBondContact O-N 2.88Å; L388-I391 VanDerWaalsContact O-N 3.13Å; L388-L392 WeakPolarHBondContact O-CG 3.38Å; L388-L392 PolarHBondContact O-N 2.61Å |
| 389 | V | 86.5 | Confident | 72.7 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 177 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | L279 F374 E385 L392 R393 | L279-V389 HydrophobicContact CD1-CG2 4.35Å; L279-V389 HydrophobicContact CD2-CG2 4.32Å; F374-V389 HydrophobicContact CB-CG1 3.93Å; F374-V389 HydrophobicContact CD1-CG1 4.18Å; F374-V389 HydrophobicContact CD1-CG2 4.11Å; F374-V389 HydrophobicContact CD2-CG1 4.33Å; F374-V389 HydrophobicContact CG-CG1 3.9Å; E385-V389 HydrophobicContact CG-CG2 4.22Å; E385-V389 WeakPolarHBondContact O-CG2 3.24Å; E385-V389 PolarHBondContact O-N 2.68Å; E385-V389 VanDerWaalsContact O-N 3.09Å; V389-L392 PolarHBondContact O-N 3.26Å; V389-R393 HydrophobicContact CG1-CG 4.23Å; V389-R393 VanDerWaalsContact CG1-CZ 3.46Å; V389-R393 VanDerWaalsContact O-CB 3.27Å; V389-R393 WeakPolarHBondContact O-CB 3.41Å; V389-R393 VanDerWaalsContact O-CG 3.22Å; V389-R393 WeakPolarHBondContact O-CG 3.46Å; V389-R393 PolarHBondContact O-N 2.84Å |
| 390 | C | 85.6 | Confident | 74.2 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 51% | 0.507 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 172 | -82.1 | 0 | 0 | 0 | 0 | 112.9 | A386 N387 L388 R394 | A386-C390 WeakPolarHBondContact O-CB 3.46Å; A386-C390 PolarHBondContact O-N 2.94Å; A386-C390 PolarHBondContact O-SG 2.89Å; N387-C390 PolarHBondContact O-N 3.49Å; L388-C390 VanDerWaalsContact C-N 3.29Å; L388-C390 PolarHBondContact O-N 2.82Å; C390-R394 VanDerWaalsContact O-CB 3.29Å; C390-R394 WeakPolarHBondContact O-CB 3.43Å; C390-R394 PolarHBondContact O-N 2.95Å |
| 391 | I | 89 | Confident | 75.9 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 174.2 | -61.9 | 174 | 0 | 0 | 0 | 110.2 | F277 L319 L322 F335 N387 L388 R394 L395 | F277-I391 HydrophobicContact CE1-CB 4.34Å; F277-I391 HydrophobicContact CE1-CG2 3.77Å; F277-I391 HydrophobicContact CZ-CG2 4.31Å; L319-I391 HydrophobicContact CD1-CD1 4.24Å; L322-I391 HydrophobicContact CD2-CB 4.47Å; L322-I391 HydrophobicContact CD2-CD1 4.15Å; L322-I391 HydrophobicContact CD2-CG1 3.76Å; L322-I391 HydrophobicContact CD2-CG2 4.14Å; F335-I391 HydrophobicContact CE1-CD1 4.47Å; N387-I391 WeakPolarHBondContact O-CG1 3.43Å; N387-I391 PolarHBondContact O-N 3.34Å; L388-I391 PolarHBondContact O-N 2.88Å; L388-I391 VanDerWaalsContact O-N 3.13Å; I391-R394 WeakPolarHBondContact O-CB 3.04Å; I391-R394 PolarHBondContact O-N 2.87Å; I391-R394 VanDerWaalsContact O-N 3.17Å; I391-L395 HydrophobicContact CG2-CD1 4.37Å; I391-L395 PolarHBondContact O-N 2.93Å |
| 392 | L | 90.9 | Very high | 77.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 178.9 | -68.9 | 169.8 | 0 | 0 | 0 | 111.8 | V246 L248 F277 L279 F369 F374 L388 V389 R394 L395 Q396 | V246-L392 HydrophobicContact CB-CD1 4.13Å; V246-L392 HydrophobicContact CB-CD2 4.17Å; V246-L392 HydrophobicContact CG1-CD2 4.05Å; V246-L392 HydrophobicContact CG2-CD1 3.99Å; L248-L392 HydrophobicContact CD1-CD2 4.4Å; F277-L392 HydrophobicContact CB-CD1 4.05Å; F277-L392 HydrophobicContact CB-CD2 4.24Å; F277-L392 HydrophobicContact CB-CG 4.47Å; F277-L392 HydrophobicContact CD1-CD1 4.26Å; F277-L392 HydrophobicContact CD1-CD2 3.76Å; F277-L392 HydrophobicContact CD1-CG 3.86Å; F277-L392 HydrophobicContact CD2-CD2 3.93Å; F277-L392 HydrophobicContact CE1-CD2 4.04Å; F277-L392 HydrophobicContact CE1-CG 4.3Å; F277-L392 HydrophobicContact CE2-CD2 4.2Å; F277-L392 HydrophobicContact CG-CD1 4.29Å; F277-L392 HydrophobicContact CG-CD2 3.72Å; F277-L392 HydrophobicContact CG-CG 4.17Å; F277-L392 HydrophobicContact CZ-CD2 4.25Å; L279-L392 HydrophobicContact CD2-CD1 4.02Å; F369-L392 HydrophobicContact CE2-CD2 4.15Å; F374-L392 HydrophobicContact CE1-CD1 3.95Å; F374-L392 HydrophobicContact CE2-CB 4.27Å; F374-L392 HydrophobicContact CZ-CB 3.85Å; F374-L392 HydrophobicContact CZ-CD1 3.83Å; F374-L392 HydrophobicContact CZ-CG 4.46Å; L388-L392 WeakPolarHBondContact O-CG 3.38Å; L388-L392 PolarHBondContact O-N 2.61Å; V389-L392 PolarHBondContact O-N 3.26Å; L392-R394 VanDerWaalsContact C-N 3.25Å; L392-R394 PolarHBondContact O-N 2.96Å; L392-L395 PolarHBondContact O-N 2.65Å; L392-Q396 WeakPolarHBondContact O-CG 3.03Å; L392-Q396 PolarHBondContact O-N 2.92Å |
| 393 | R | 87.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -33.7 | 173.6 | -73.4 | 173.1 | 178.8 | 164.9 | -0.6 | 112.1 | F374 V389 Q396 S397 | F374-R393 HydrophobicContact CD2-CG 4.13Å; F374-R393 HydrophobicContact CE2-CG 4.43Å; F374-R393 PolarHBondContact O-NH2 3.35Å; V389-R393 HydrophobicContact CG1-CG 4.23Å; V389-R393 VanDerWaalsContact CG1-CZ 3.46Å; V389-R393 VanDerWaalsContact O-CB 3.27Å; V389-R393 WeakPolarHBondContact O-CB 3.41Å; V389-R393 VanDerWaalsContact O-CG 3.22Å; V389-R393 WeakPolarHBondContact O-CG 3.46Å; V389-R393 PolarHBondContact O-N 2.84Å; R393-Q396 PolarHBondContact O-N 2.87Å; R393-S397 PolarHBondContact O-N 2.84Å |
| 394 | R | 86.5 | Confident | 78.1 | Confident | 117 Ų | 117 | 56.9 Ų | 56.9 | 44% | 0.442 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.6 | -40.2 | 175.3 | -172.3 | 59.4 | 175.4 | 144.4 | -7.4 | 112 | I324 C390 I391 L392 S397 | I324-R394 HydrophobicContact CD1-CB 4.43Å; I324-R394 HydrophobicContact CD1-CG 3.88Å; C390-R394 VanDerWaalsContact O-CB 3.29Å; C390-R394 WeakPolarHBondContact O-CB 3.43Å; C390-R394 PolarHBondContact O-N 2.95Å; I391-R394 WeakPolarHBondContact O-CB 3.04Å; I391-R394 PolarHBondContact O-N 2.87Å; I391-R394 VanDerWaalsContact O-N 3.17Å; L392-R394 VanDerWaalsContact C-N 3.25Å; L392-R394 PolarHBondContact O-N 2.96Å; R394-S397 PolarHBondContact NH1-OG 2.67Å; R394-S397 VanDerWaalsContact NH1-OG 3.1Å; R394-S397 PolarHBondContact O-N 3.19Å; R394-S397 PolarHBondContact O-OG 3.07Å |
| 395 | L | 89.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 172.2 | -68.9 | 171.5 | 0 | 0 | 0 | 111.5 | L248 F277 I324 I331 V333 I360 F369 I391 L392 S397 L398 | L248-L395 HydrophobicContact CD1-CD1 3.83Å; F277-L395 HydrophobicContact CZ-CD1 4.34Å; I324-L395 HydrophobicContact CD1-CD2 4.23Å; I324-L395 HydrophobicContact CG2-CD2 4.24Å; I331-L395 HydrophobicContact CD1-CD2 4.39Å; I331-L395 HydrophobicContact CG2-CD2 3.92Å; V333-L395 HydrophobicContact CG2-CD2 3.89Å; I360-L395 HydrophobicContact CD1-CD1 4.01Å; I360-L395 HydrophobicContact CD1-CD2 4.19Å; F369-L395 HydrophobicContact CE1-CB 4.45Å; F369-L395 HydrophobicContact CZ-CB 4.04Å; I391-L395 HydrophobicContact CG2-CD1 4.37Å; I391-L395 PolarHBondContact O-N 2.93Å; L392-L395 PolarHBondContact O-N 2.65Å; L395-S397 VanDerWaalsContact C-N 3.28Å; L395-S397 PolarHBondContact O-N 2.88Å; L395-L398 WeakPolarHBondContact O-CB 3.11Å; L395-L398 PolarHBondContact O-N 2.85Å; L395-L398 VanDerWaalsContact O-N 3.12Å |
| 396 | Q | 87.4 | Confident | 76.6 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 173.1 | -72.4 | 178.8 | -39.2 | 0 | 0 | 112.1 | F369 F370 L372 L392 R393 L398 C399 | F369-Q396 HydrophobicContact CE1-CG 4.01Å; F369-Q396 HydrophobicContact CE2-CG 4.24Å; F369-Q396 HydrophobicContact CZ-CG 3.78Å; F369-Q396 PolarHBondContact O-NE2 3.07Å; F370-Q396 HydrophobicContact CD1-CB 4.47Å; L372-Q396 PolarHBondContact O-NE2 3.34Å; L392-Q396 WeakPolarHBondContact O-CG 3.03Å; L392-Q396 PolarHBondContact O-N 2.92Å; R393-Q396 PolarHBondContact O-N 2.87Å; Q396-L398 PolarHBondContact O-N 3.37Å; Q396-C399 VanDerWaalsContact O-CB 3.31Å; Q396-C399 WeakPolarHBondContact O-CB 3.44Å; Q396-C399 PolarHBondContact O-N 2.87Å; Q396-C399 PolarHBondContact O-SG 3.17Å |
| 397 | S | 85.5 | Confident | 75 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8.3 | 178.1 | 78.2 | 0 | 0 | 0 | 0 | 114.9 | R393 R394 L395 C399 | R393-S397 PolarHBondContact O-N 2.84Å; R394-S397 PolarHBondContact NH1-OG 2.67Å; R394-S397 VanDerWaalsContact NH1-OG 3.1Å; R394-S397 PolarHBondContact O-N 3.19Å; R394-S397 PolarHBondContact O-OG 3.07Å; L395-S397 VanDerWaalsContact C-N 3.28Å; L395-S397 PolarHBondContact O-N 2.88Å; S397-C399 VanDerWaalsContact C-N 3.34Å |
| 398 | L | 84.5 | Confident | 72.6 | Confident | 17 Ų | 17 | 72 Ų | 72 | 9% | 0.089 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.9 | 173 | -58.2 | 177.6 | 0 | 0 | 0 | 113.3 | I324 I331 L395 Q396 Q400 F401 F402 | I324-L398 HydrophobicContact CG2-CD1 3.93Å; I331-L398 HydrophobicContact CD1-CD1 4.15Å; I331-L398 HydrophobicContact CG1-CD1 4.48Å; I331-L398 HydrophobicContact CG2-CD1 3.89Å; L395-L398 WeakPolarHBondContact O-CB 3.11Å; L395-L398 PolarHBondContact O-N 2.85Å; L395-L398 VanDerWaalsContact O-N 3.12Å; Q396-L398 PolarHBondContact O-N 3.37Å; L398-Q400 PolarHBondContact O-N 3.09Å; L398-Q400 VanDerWaalsContact O-N 3.08Å; L398-F401 HydrophobicContact CB-CD2 4.34Å; L398-F401 HydrophobicContact CD2-CD2 4.03Å; L398-F401 HydrophobicContact CD2-CE2 3.98Å; L398-F401 PolarHBondContact O-N 3.07Å; L398-F402 HydrophobicContact CB-CE2 3.9Å; L398-F402 HydrophobicContact CB-CZ 3.99Å; L398-F402 WeakPolarHBondContact O-CD2 3.38Å; L398-F402 WeakPolarHBondContact O-CE2 3.27Å |
| 399 | C | 78.3 | Confident | 69.7 | Low | 59 Ų | 59 | 78.4 Ų | 78.4 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -51 | -34.8 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | F370 Q396 S397 F401 F402 | F370-C399 HydrophobicContact CD1-CB 3.59Å; F370-C399 HydrophobicContact CE1-CB 3.96Å; F370-C399 HydrophobicContact CG-CB 4.24Å; Q396-C399 VanDerWaalsContact O-CB 3.31Å; Q396-C399 WeakPolarHBondContact O-CB 3.44Å; Q396-C399 PolarHBondContact O-N 2.87Å; Q396-C399 PolarHBondContact O-SG 3.17Å; S397-C399 VanDerWaalsContact C-N 3.34Å; C399-F401 PolarHBondContact O-N 3.03Å; C399-F401 VanDerWaalsContact O-N 3.08Å; C399-F402 PolarHBondContact O-N 3.08Å; C399-F402 VanDerWaalsContact O-N 3.08Å |
| 400 | Q | 77.1 | Confident | 67.1 | Low | 150 Ų | 150 | 83.2 Ų | 83.2 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -63.5 | -8.5 | 177.6 | 66.3 | 176.4 | 32.3 | 0 | 0 | 114.9 | L398 | L398-Q400 PolarHBondContact O-N 3.09Å; L398-Q400 VanDerWaalsContact O-N 3.08Å |
| 401 | F | 75.3 | Confident | 64.7 | Low | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -106.7 | 7.1 | 176.7 | -57.2 | -70 | 0 | 0 | 0 | 112.9 | L326 L398 C399 | L326-F401 HydrophobicContact CD2-CB 3.68Å; L326-F401 HydrophobicContact CD2-CG 4.11Å; L398-F401 HydrophobicContact CB-CD2 4.34Å; L398-F401 HydrophobicContact CD2-CD2 4.03Å; L398-F401 HydrophobicContact CD2-CE2 3.98Å; L398-F401 PolarHBondContact O-N 3.07Å; C399-F401 PolarHBondContact O-N 3.03Å; C399-F401 VanDerWaalsContact O-N 3.08Å |
| 402 | F | 72.7 | Confident | 62 | Low | 22 Ų | 22 | 94.3 Ų | 94.3 | 10% | 0.096 | 49% | 0.491 | C | S | . | . | trans | -120.8 | 101.3 | -176.1 | -53.8 | -40.2 | 0 | 0 | 0 | 111 | L326 I331 V362 F370 L398 C399 F404 | L326-F402 HydrophobicContact CD1-CE1 3.7Å; L326-F402 HydrophobicContact CD1-CZ 4.25Å; L326-F402 HydrophobicContact CD2-CE1 4.41Å; I331-F402 HydrophobicContact CD1-CE2 4.07Å; I331-F402 HydrophobicContact CD1-CZ 3.72Å; I331-F402 HydrophobicContact CG1-CZ 3.89Å; V362-F402 HydrophobicContact CB-CE1 4.35Å; V362-F402 HydrophobicContact CG1-CB 4.47Å; V362-F402 HydrophobicContact CG1-CD1 3.44Å; V362-F402 VanDerWaalsContact CG1-CD1 3.44Å; V362-F402 HydrophobicContact CG1-CD2 4.26Å; V362-F402 HydrophobicContact CG1-CE1 3.64Å; V362-F402 HydrophobicContact CG1-CE2 4.43Å; V362-F402 HydrophobicContact CG1-CG 3.8Å; V362-F402 HydrophobicContact CG1-CZ 4.16Å; V362-F402 HydrophobicContact CG2-CD1 4.33Å; V362-F402 HydrophobicContact CG2-CE1 3.66Å; V362-F402 HydrophobicContact CG2-CZ 3.92Å; F370-F402 HydrophobicContact CE1-CD2 4.23Å; F370-F402 HydrophobicContact CE1-CE2 4.19Å; F370-F402 AromaticContact CZ-CD2 3.8Å; F370-F402 HydrophobicContact CZ-CD2 3.8Å; F370-F402 AromaticContact CZ-CE2 3.85Å; F370-F402 HydrophobicContact CZ-CE2 3.85Å; L398-F402 HydrophobicContact CB-CE2 3.9Å; L398-F402 HydrophobicContact CB-CZ 3.99Å; L398-F402 WeakPolarHBondContact O-CD2 3.38Å; L398-F402 WeakPolarHBondContact O-CE2 3.27Å; C399-F402 PolarHBondContact O-N 3.08Å; C399-F402 VanDerWaalsContact O-N 3.08Å; F402-F404 HydrophobicContact CB-CD2 4.19Å; F402-F404 HydrophobicContact CB-CE2 3.69Å; F402-F404 HydrophobicContact CB-CZ 4.04Å; F402-F404 HydrophobicContact CD2-CZ 4.49Å; F402-F404 WeakPolarHBondContact O-CD2 3.3Å; F402-F404 PolarHBondContact O-N 3.39Å | ||
| 403 | D | 60.9 | Low | 59.4 | Low | 160 Ų | 160 | 102.4 Ų | 102.4 | 86% | 0.856 | 53% | 0.533 | S | S | * | . | trans | -70.1 | 93 | 170 | -67.5 | -50.6 | 0 | 0 | 0 | 109.7 | E405 | D403-E405 PolarHBondContact O-N 3.3Š| ||
| 404 | F | 59.6 | Low | 56.6 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 33% | 0.329 | 56% | 0.558 | S | S | . | * | trans | -74.8 | 68.7 | 172.4 | -69.4 | -81.1 | 0 | 0 | 0 | 110.9 | K367 F370 F402 T406 | K367-F404 HydrophobicContact CG-CD1 4.09Å; K367-F404 HydrophobicContact CG-CE1 4.38Å; F370-F404 HydrophobicContact CD2-CE2 4.3Å; F370-F404 AromaticContact CD2-CZ 3.77Å; F370-F404 HydrophobicContact CD2-CZ 3.77Å; F370-F404 HydrophobicContact CE2-CE1 4.44Å; F370-F404 HydrophobicContact CE2-CE2 4.3Å; F370-F404 AromaticContact CE2-CZ 3.53Å; F370-F404 HydrophobicContact CE2-CZ 3.53Å; F370-F404 HydrophobicContact CZ-CZ 4.31Å; F402-F404 HydrophobicContact CB-CD2 4.19Å; F402-F404 HydrophobicContact CB-CE2 3.69Å; F402-F404 HydrophobicContact CB-CZ 4.04Å; F402-F404 HydrophobicContact CD2-CZ 4.49Å; F402-F404 WeakPolarHBondContact O-CD2 3.3Å; F402-F404 PolarHBondContact O-N 3.39Å; F404-T406 PolarHBondContact O-N 3.4Å; F404-T406 VanDerWaalsContact O-N 3.1Å | ||
| 405 | E | 44.2 | Very low | 54 | Low | 175 Ų | 175 | 107 Ų | 107 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | trans | -43.8 | 119.5 | 178 | -71.6 | -167.1 | 150.4 | 0 | 0 | 110.7 | D403 S407 | D403-E405 PolarHBondContact O-N 3.3Å; E405-S407 PolarHBondContact O-N 3.21Å | ||
| 406 | T | 34.3 | Very low | 51.3 | Low | 105 Ų | 105 | 116 Ų | 116 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | trans | -75.6 | 94.8 | 178.2 | 44.1 | 0 | 0 | 0 | 0 | 108.7 | F404 E408 | F404-T406 PolarHBondContact O-N 3.4Å; F404-T406 VanDerWaalsContact O-N 3.1Å; T406-E408 PolarHBondContact O-N 2.75Å | ||
| 407 | S | 29.8 | Very low | 48.4 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | trans | -70.8 | 47.1 | 170.5 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | E405 | E405-S407 PolarHBondContact O-N 3.21Š| ||
| 408 | E | 30.3 | Very low | 45.6 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | trans | -95.8 | 81.1 | 166 | -74.8 | -175.8 | -155.7 | 0 | 0 | 107.8 | T406 T410 | T406-E408 PolarHBondContact O-N 2.75Å; E408-T410 PolarHBondContact O-N 3.08Å | ||
| 409 | T | 29 | Very low | 42.9 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -74.3 | 61.2 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | T411 | T409-T411 PolarHBondContact O-N 2.99Š| ||
| 410 | T | 31.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 133 Ų | 133 | 63% | 0.632 | 72% | 0.716 | S | S | * | * | trans | -89.5 | 88.4 | -176.9 | -52.8 | 0 | 0 | 0 | 0 | 109.5 | E408 H412 | E408-T410 PolarHBondContact O-N 3.08Å; T410-H412 PolarHBondContact O-N 3.49Å; T410-H412 VanDerWaalsContact O-N 3.17Å | ||
| 411 | T | 35.5 | Very low | 38.1 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | trans | -60.5 | 115.8 | 169.1 | 45.8 | 0 | 0 | 0 | 0 | 109.9 | T409 L413 | T409-T411 PolarHBondContact O-N 2.99Å; T411-L413 PolarHBondContact O-N 3.4Å; T411-L413 VanDerWaalsContact O-N 3.14Å | ||
| 412 | H | 31.4 | Very low | 35.8 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | trans | -57.5 | 114.1 | -178.4 | -85.4 | -79.5 | 0 | 0 | 0 | 112.9 | T410 | T410-H412 PolarHBondContact O-N 3.49Å; T410-H412 VanDerWaalsContact O-N 3.17Å | ||
| 413 | L | 35.8 | Very low | 33.7 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -144.4 | 128.4 | 156.2 | -105.5 | 163.6 | 0 | 0 | 0 | 108.9 | T411 | T411-L413 PolarHBondContact O-N 3.4Å; T411-L413 VanDerWaalsContact O-N 3.14Å | ||
| 414 | K | 29.7 | Very low | 32.2 | Very low | 209 Ų | 209 | 141.3 Ų | 141.3 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -89.3 | 112.9 | -177.1 | -75.1 | -179.2 | 175.7 | 178.8 | 0 | 110.9 | ||||
| 415 | S | 32.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -159.9 | 105.6 | 159.1 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 416 | Q | 30.7 | Very low | 30.1 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | trans | 52.5 | 126.2 | 161.4 | -66.8 | 177.8 | -24.2 | 0 | 0 | 119.8 | ||||
| 417 | P | 27.2 | Very low | 30.3 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -88 | 138.6 | 171.8 | 34.9 | -31.8 | 0 | 0 | 0 | 112.2 | ||||
| 418 | L | 26.4 | Very low | 30.4 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | trans | -145.7 | 139.6 | 166.9 | -145.6 | 77.4 | 0 | 0 | 0 | 111.4 | ||||
| 419 | V | 28.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 66.5 | 86.5 | 169.1 | -162.6 | 0 | 0 | 0 | 0 | 117.9 | ||
| 420 | S | 27.8 | Very low | 30.3 | Very low | 93 Ų | 93 | 117.9 Ų | 117.9 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | trans | 37.3 | 111.4 | 145.9 | 63.7 | 0 | 0 | 0 | 0 | 121 | Q422 | S420-Q422 PolarHBondContact O-N 3.35Š| ||
| 421 | N | 25.9 | Very low | 30.2 | Very low | 169 Ų | 169 | 114.5 Ų | 114.5 | 90% | 0.904 | 63% | 0.631 | S | S | * | * | trans | -63 | 112.5 | 162 | -72.4 | -30.1 | 0 | 0 | 0 | 112 | S423 | N421-S423 PolarHBondContact O-N 3.44Š| ||
| 422 | Q | 27.3 | Very low | 29.9 | Very low | 166 Ų | 166 | 114.5 Ų | 114.5 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | trans | -80.9 | 108.9 | 160 | -69.5 | -174 | -0.8 | 0 | 0 | 109 | S420 F424 | S420-Q422 PolarHBondContact O-N 3.35Å; Q422-F424 PolarHBondContact O-N 3.43Å | ||
| 423 | S | 28.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | trans | -78.1 | 101.9 | -178.6 | 41.8 | 0 | 0 | 0 | 0 | 111.3 | N421 G425 | N421-S423 PolarHBondContact O-N 3.44Å; S423-G425 PolarHBondContact O-N 3.03Å | ||
| 424 | F | 29.6 | Very low | 29.5 | Very low | 165 Ų | 165 | 107 Ų | 107 | 72% | 0.724 | 60% | 0.602 | S | S | * | * | trans | -48.7 | 127.9 | 177.4 | -69.5 | -95.7 | 0 | 0 | 0 | 112.6 | K239 Q422 | K239-F424 PolarHBondContact NZ-O 3.34Å; Q422-F424 PolarHBondContact O-N 3.43Å | ||
| 425 | G | 27.2 | Very low | 29.5 | Very low | 21 Ų | 21 | 103 Ų | 103 | 22% | 0.216 | 59% | 0.59 | C | S | . | * | trans | -99.6 | 106.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S423 | S423-G425 PolarHBondContact O-N 3.03Š| ||
| 426 | S | 31.6 | Very low | 29.4 | Very low | 30 Ų | 30 | 106.2 Ų | 106.2 | 21% | 0.21 | 59% | 0.591 | C | S | . | * | trans | -143.5 | 63.5 | -166.8 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | S366 D368 A428 | S366-S426 WeakPolarHBondContact CB-O 3.43Å; D368-S426 PolarHBondContact OD2-N 3.23Å; S426-A428 PolarHBondContact O-N 3.34Å | ||
| 427 | I | 38.6 | Very low | 29.3 | Very low | 20 Ų | 20 | 104.1 Ų | 104.1 | 10% | 0.103 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -67 | -26.9 | 172.2 | -78.4 | -177.4 | 0 | 0 | 0 | 111.9 | S366 D368 L372 | S366-I427 VanDerWaalsContact CB-O 3.24Å; S366-I427 WeakPolarHBondContact CB-O 3.42Å; S366-I427 VanDerWaalsContact OG-CA 3.28Å; S366-I427 WeakPolarHBondContact OG-CA 3.32Å; S366-I427 PolarHBondContact OG-O 2.79Å; D368-I427 HydrophobicContact CB-CB 4.47Å; D368-I427 HydrophobicContact CB-CD1 4.15Å; D368-I427 HydrophobicContact CB-CG1 3.33Å; L372-I427 HydrophobicContact CD1-CD1 4Å; L372-I427 HydrophobicContact CD2-CD1 3.48Å; L372-I427 VanDerWaalsContact CD2-CD1 3.48Å; L372-I427 HydrophobicContact CG-CD1 3.72Å |
| 428 | A | 32.1 | Very low | 29.4 | Very low | 24 Ų | 24 | 106.8 Ų | 106.8 | 20% | 0.198 | 58% | 0.583 | C | S | . | * | trans | -124.7 | 125.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N233 W274 S426 | N233-A428 HydrophobicContact CB-CB 3.7Å; W274-A428 HydrophobicContact CH2-CB 3.73Å; W274-A428 HydrophobicContact CZ3-CB 4.05Å; S426-A428 PolarHBondContact O-N 3.34Å | ||
| 429 | N | 27.7 | Very low | 29.4 | Very low | 114 Ų | 114 | 110.3 Ų | 110.3 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | trans | -94.9 | 139.6 | 153.5 | -76.3 | -17.2 | 0 | 0 | 0 | 107.8 | ||||
| 430 | S | 30.1 | Very low | 29.5 | Very low | 57 Ų | 57 | 112.2 Ų | 112.2 | 40% | 0.399 | 59% | 0.586 | S | S | . | * | trans | -58.3 | 142.2 | 165.7 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | V432 | S430-V432 PolarHBondContact O-N 3.46Š| ||
| 431 | P | 30.4 | Very low | 29.5 | Very low | 32 Ų | 32 | 112.9 Ų | 112.9 | 21% | 0.208 | 59% | 0.591 | C | S | . | * | trans | -69.9 | 85.5 | -176.8 | 27.6 | -34.9 | 0 | 0 | 0 | 112.2 | G270 V272 N433 | G270-P431 WeakPolarHBondContact O-CG 3.28Å; V272-P431 HydrophobicContact CG1-CG 4.38Å; V272-P431 HydrophobicContact CG2-CG 4.47Å; P431-N433 PolarHBondContact O-N 3.19Å | ||
| 432 | V | 29.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 81% | 0.806 | 59% | 0.588 | S | S | * | * | trans | -70.6 | 90 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | S430 | S430-V432 PolarHBondContact O-N 3.46Š| ||
| 433 | N | 27.4 | Very low | 29.9 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | trans | 51.3 | 71.9 | 158.2 | -161.1 | 85.1 | 0 | 0 | 0 | 116.7 | P431 D435 | P431-N433 PolarHBondContact O-N 3.19Å; N433-D435 PolarHBondContact ND2-OD2 3.22Å; N433-D435 PolarHBondContact O-N 3.31Å | ||
| 434 | V | 31.1 | Very low | 29.8 | Very low | 97 Ų | 97 | 117 Ų | 117 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | trans | -83.9 | 86.6 | 169.8 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | F436 | V434-F436 HydrophobicContact CG1-CD2 4.01Å; V434-F436 HydrophobicContact CG1-CE2 3.76Å; V434-F436 HydrophobicContact CG1-CZ 4.42Å; V434-F436 PolarHBondContact O-N 3.37Å; V434-F436 VanDerWaalsContact O-N 3.11Å | ||
| 435 | D | 28 | Very low | 29.9 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 67% | 0.674 | 60% | 0.6 | S | S | * | * | trans | -71.9 | 97.8 | 176.1 | -92.2 | -52.6 | 0 | 0 | 0 | 112.1 | N433 I437 | N433-D435 PolarHBondContact ND2-OD2 3.22Å; N433-D435 PolarHBondContact O-N 3.31Å; D435-I437 PolarHBondContact O-N 2.92Å | ||
| 436 | F | 31 | Very low | 30 | Very low | 174 Ų | 174 | 123.5 Ų | 123.5 | 76% | 0.763 | 63% | 0.632 | S | S | * | * | trans | -71.7 | 89.2 | 173.5 | -86.5 | -85.1 | 0 | 0 | 0 | 112.1 | V434 K438 | V434-F436 HydrophobicContact CG1-CD2 4.01Å; V434-F436 HydrophobicContact CG1-CE2 3.76Å; V434-F436 HydrophobicContact CG1-CZ 4.42Å; V434-F436 PolarHBondContact O-N 3.37Å; V434-F436 VanDerWaalsContact O-N 3.11Å; F436-K438 PolarHBondContact O-N 2.82Å | ||
| 437 | I | 28.6 | Very low | 30.1 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -66.8 | 97.4 | 169.6 | -59.1 | 179.2 | 0 | 0 | 0 | 109.7 | D435 R439 | D435-I437 PolarHBondContact O-N 2.92Å; I437-R439 PolarHBondContact O-N 3.07Å | ||
| 438 | K | 29.6 | Very low | 29.6 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -61.1 | 97.3 | 163.4 | -83.7 | -169.2 | 171.1 | -168.1 | 0 | 110 | F436 E440 | F436-K438 PolarHBondContact O-N 2.82Å; K438-E440 PolarHBondContact O-N 3.31Å | ||
| 439 | R | 27.3 | Very low | 29.7 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | trans | -88.9 | 72 | 175.5 | -163.1 | 178.2 | -125.8 | 157.2 | 4 | 111.1 | I437 | I437-R439 PolarHBondContact O-N 3.07Š| ||
| 440 | E | 31 | Very low | 29.9 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | trans | -66.4 | 155.2 | 163.6 | -74.9 | 177.1 | -172 | 0 | 0 | 110.5 | K438 | K438-E440 PolarHBondContact O-N 3.31Š| ||
| 441 | S | 26.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -78 | 139.5 | -163.6 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 442 | L | 30.7 | Very low | 29.6 | Very low | 163 Ų | 163 | 150 Ų | 150 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -155.4 | 159.4 | 133 | -133.9 | 71.2 | 0 | 0 | 0 | 114.5 | ||||
| 443 | T | 31.2 | Very low | 29.6 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -56.6 | 122.3 | -169.9 | 48 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 444 | R | 27.7 | Very low | 29.5 | Very low | 249 Ų | 249 | 153.9 Ų | 153.9 | 94% | 0.94 | 77% | 0.774 | S | S | * | * | 36.2 | 84.8 | 119.5 | -163.1 | -171.1 | -162.9 | -171.9 | 6.2 | 118.5 | |||||
| 445 | S | 30.9 | Very low | 29.5 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -151.4 | 138.2 | 151 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 446 | K | 28.8 | Very low | 29.5 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -117.1 | 169.4 | 174 | -99.2 | -172.6 | -179.7 | -175.2 | 0 | 107.7 | ||||
| 447 | P | 33.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | cis | -143.1 | -169 | -22.8 | 40.1 | -21.2 | 0 | 0 | 0 | 114.5 | ||||
| 448 | L | 29.2 | Very low | 29.6 | Very low | 161 Ų | 161 | 160.4 Ų | 160.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 76.7 | 158.3 | 156.1 | -69.5 | 167.2 | 0 | 0 | 0 | 119.2 | ||||
| 449 | P | 32.9 | Very low | 29.6 | Very low | 107 Ų | 107 | 159 Ų | 159 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | -129.2 | -140.5 | -154 | 43.5 | -24 | 0 | 0 | 0 | 113.2 | ||||
| 450 | I | 31.6 | Very low | 29.7 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 89.2 | 141.9 | 177.5 | -57.4 | 167.6 | 0 | 0 | 0 | 113.5 | ||||
| 451 | L | 27 | Very low | 29.6 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | cis | -174 | 139.4 | -36.1 | -142.4 | 171.1 | 0 | 0 | 0 | 106.4 | ||||
| 452 | M | 27.5 | Very low | 29.8 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 61.8 | 169.4 | 173.1 | -84.2 | 162.8 | 168.1 | 0 | 0 | 115.1 | ||||
| 453 | E | 30.3 | Very low | 29.7 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | cis | -137.9 | 175.3 | 0.2 | -143.9 | -169.7 | 134.2 | 0 | 0 | 111.6 | ||||
| 454 | M | 25.2 | Very low | 29.8 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -84.1 | 148.7 | -177.6 | -59.1 | -179 | -74.7 | 0 | 0 | 113.5 | ||||
| 455 | R | 30.6 | Very low | 29.9 | Very low | 238 Ų | 238 | 149.6 Ų | 149.6 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | -164.8 | 163.3 | 129.8 | -104.7 | 150.7 | -162 | -176.1 | 7.6 | 113.4 | |||||
| 456 | T | 28.5 | Very low | 30 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -96.9 | 160.5 | -156.2 | 32.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 457 | P | 30.3 | Very low | 30 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -94 | 165.2 | -163.8 | 37.2 | -37.9 | 0 | 0 | 0 | 114.7 | ||||
| 458 | K | 30.4 | Very low | 29.8 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -162.7 | 122.1 | 150.9 | -109.3 | 159.6 | -171.9 | 175.6 | 0 | 114.7 | ||||
| 459 | L | 30.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 74 | 133.6 | 137.7 | -73 | 166.9 | 0 | 0 | 0 | 123.6 | ||||
| 460 | L | 30.3 | Very low | 29.5 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | trans | 86.5 | 97.1 | 144.6 | -69.1 | 162.2 | 0 | 0 | 0 | 121.7 | ||||
| 461 | N | 27.9 | Very low | 29.3 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | 54.5 | 120.6 | 122.8 | -69.5 | -7.3 | 0 | 0 | 0 | 119.1 | |||||
| 462 | K | 31.9 | Very low | 29.1 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | -168.3 | 154 | 51.9 | -120.7 | 160.5 | -174.7 | 178.2 | 0 | 113.5 | |||||
| 463 | S | 27.4 | Very low | 29 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 51.7 | 109.1 | 152.9 | 58.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 464 | S | 34.6 | Very low | 28.7 | Very low | 131 Ų | 131 | 145 Ų | 145 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -159.5 | 145.8 | 132.5 | -84.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 465 | T | 29.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -80.5 | 129.4 | -160.5 | 47.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 466 | S | 31.7 | Very low | 28.6 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -165.7 | 126.2 | 133.2 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 467 | Y | 28.9 | Very low | 28.5 | Very low | 239 Ų | 239 | 136.1 Ų | 136.1 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | 21.4 | 102.6 | 174.2 | -82.4 | -85.6 | 0 | 0 | 0 | 120 | ||||
| 468 | Q | 29.3 | Very low | 28.2 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -98.4 | 148.1 | 154.2 | -60.6 | 172.5 | -91.4 | 0 | 0 | 109.8 | ||||
| 469 | S | 29.8 | Very low | 28 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -158.9 | 83.4 | 149.8 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 470 | S | 26.4 | Very low | 27.8 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -116.2 | 161.2 | 162.7 | -48 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 471 | I | 26.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 76.2 | 108.3 | 162.8 | -56.7 | 161.8 | 0 | 0 | 0 | 116.8 | ||
| 472 | A | 23.8 | Very low | 27.6 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 65.9 | 177.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 473 | C | 25.5 | Very low | 27.3 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | 71.8 | 118.2 | -178.4 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 474 | S | 24.7 | Very low | 27.2 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | 58.1 | 124.2 | 50.6 | -45.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 475 | P | 27.1 | Very low | 26.9 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | -92.7 | 150.4 | 59.4 | 32.2 | -37.7 | 0 | 0 | 0 | 112.9 | V477 | P475-V477 VanDerWaalsContact C-N 3.29Å; P475-V477 HydrophobicContact CB-CB 4.46Å; P475-V477 HydrophobicContact CB-CG2 4.05Å | |||
| 476 | I | 25.4 | Very low | 26.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 64% | 0.641 | 74% | 0.739 | S | S | * | * | cis | 50 | 44.7 | 19.6 | -44.6 | -176.6 | 0 | 0 | 0 | 112.5 | Y478 | I476-Y478 HydrophobicContact CG2-CD2 4.04Å; I476-Y478 HydrophobicContact CG2-CG 4.12Å | ||
| 477 | V | 25.8 | Very low | 26.7 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | trans | -122.4 | 88.8 | 137 | 173.7 | 0 | 0 | 0 | 0 | 101.2 | P475 N479 | P475-V477 VanDerWaalsContact C-N 3.29Å; P475-V477 HydrophobicContact CB-CB 4.46Å; P475-V477 HydrophobicContact CB-CG2 4.05Å; V477-N479 HydrophobicContact CG1-CB 3.97Å; V477-N479 VanDerWaalsContact CG1-N 3.34Å | ||
| 478 | Y | 24.6 | Very low | 26.8 | Very low | 160 Ų | 160 | 130 Ų | 130 | 63% | 0.627 | 72% | 0.724 | S | S | * | * | cis | 47.3 | 30.5 | 39.6 | -112.8 | -89.4 | 0 | 0 | 0 | 112.2 | I476 S480 F482 | I476-Y478 HydrophobicContact CG2-CD2 4.04Å; I476-Y478 HydrophobicContact CG2-CG 4.12Å; Y478-S480 WeakPolarHBondContact CD1-OG 3.46Å; Y478-S480 VanDerWaalsContact CE1-OG 3.27Å; Y478-S480 WeakPolarHBondContact CE1-OG 3.39Å; Y478-S480 PolarHBondContact O-N 3.27Å; Y478-S480 VanDerWaalsContact O-N 3.15Å; Y478-F482 HydrophobicContact CE1-CE2 4.08Å | ||
| 479 | N | 26.5 | Very low | 26.9 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -78.9 | 53.5 | 140.5 | -137.8 | -14 | 0 | 0 | 0 | 108.2 | V477 K481 | V477-N479 HydrophobicContact CG1-CB 3.97Å; V477-N479 VanDerWaalsContact CG1-N 3.34Å; N479-K481 PolarHBondContact O-N 3.37Å | ||
| 480 | S | 25.9 | Very low | 27 | Very low | 54 Ų | 54 | 125.8 Ų | 125.8 | 38% | 0.378 | 72% | 0.715 | S | S | . | * | trans | -63 | 96.3 | 161.6 | 55.2 | 0 | 0 | 0 | 0 | 106.1 | Y478 F482 | Y478-S480 WeakPolarHBondContact CD1-OG 3.46Å; Y478-S480 VanDerWaalsContact CE1-OG 3.27Å; Y478-S480 WeakPolarHBondContact CE1-OG 3.39Å; Y478-S480 PolarHBondContact O-N 3.27Å; Y478-S480 VanDerWaalsContact O-N 3.15Å; S480-F482 PolarHBondContact O-N 2.87Å | ||
| 481 | K | 27.7 | Very low | 27.3 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -67.6 | 70.5 | 144.7 | -74.4 | -169.7 | 174.7 | -176 | 0 | 107.5 | N479 Y483 | N479-K481 PolarHBondContact O-N 3.37Å; K481-Y483 PolarHBondContact O-N 2.79Å; K481-Y483 VanDerWaalsContact O-N 3.08Å | ||
| 482 | F | 26.2 | Very low | 27.5 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -50.9 | 114.3 | 149.5 | -93.9 | -71.6 | 0 | 0 | 0 | 105.2 | Y478 S480 P484 | Y478-F482 HydrophobicContact CE1-CE2 4.08Å; S480-F482 PolarHBondContact O-N 2.87Å; F482-P484 VanDerWaalsContact O-CD 3.32Å; F482-P484 WeakPolarHBondContact O-CD 3.48Å | ||
| 483 | Y | 26.4 | Very low | 27.9 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -58.7 | 120 | 151.5 | -84.7 | -91.3 | 0 | 0 | 0 | 105.8 | K481 V485 | K481-Y483 PolarHBondContact O-N 2.79Å; K481-Y483 VanDerWaalsContact O-N 3.08Å; Y483-V485 VanDerWaalsContact C-N 3.28Å; Y483-V485 PolarHBondContact O-N 3.31Å | ||
| 484 | P | 25.4 | Very low | 28.1 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | -73.4 | 88.6 | -178.4 | 29.7 | -33.3 | 0 | 0 | 0 | 108.8 | F482 | F482-P484 VanDerWaalsContact O-CD 3.32Å; F482-P484 WeakPolarHBondContact O-CD 3.48Å | ||
| 485 | V | 28.5 | Very low | 28.4 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | trans | -119.2 | 57.1 | 172.2 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | Y483 | Y483-V485 VanDerWaalsContact C-N 3.28Å; Y483-V485 PolarHBondContact O-N 3.31Å | ||
| 486 | V | 27.6 | Very low | 28.6 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | -117.1 | 124.8 | 152.9 | 178.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 487 | T | 29.7 | Very low | 28.9 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | trans | -84 | 146 | -172.4 | 47.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | N | 29.6 | Very low | 29.2 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 69.4 | 149.6 | 156.1 | -66.5 | 28.7 | 0 | 0 | 0 | 116 | ||||
| 489 | D | 32.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | cis | -139.3 | 168.4 | -4.6 | -90.6 | -44.6 | 0 | 0 | 0 | 108.8 | ||||
| 490 | G | 31.7 | Very low | 30 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 149.5 | 87.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 491 | D | 31.6 | Very low | 30.6 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | 28.8 | 104.7 | 149.8 | -59.6 | -34.4 | 0 | 0 | 0 | 120.4 | ||||
| 492 | S | 31.8 | Very low | 31 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | 177.6 | 132 | 100.8 | -79.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 493 | Q | 31.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | 39.2 | 118.3 | 140.4 | -57.1 | -175.2 | 30 | 0 | 0 | 118 | ||||
| 494 | T | 30.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | cis | -170.8 | 144.3 | 31.7 | 0.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 495 | R | 29.9 | Very low | 32.6 | Very low | 227 Ų | 227 | 136.8 Ų | 136.8 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | 67 | 139 | 153 | -60.6 | 175.8 | -177 | -168.7 | -0.1 | 116.8 | ||||
| 496 | L | 31.4 | Very low | 32.9 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | cis | -157.1 | 142.8 | 3.8 | -150.8 | 79.2 | 0 | 0 | 0 | 111.8 | ||||
| 497 | C | 31.4 | Very low | 33.3 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 66% | 0.655 | 75% | 0.749 | S | S | * | * | trans | 64.5 | 143.4 | 159.5 | -69 | 0 | 0 | 0 | 0 | 120 | ||||
| 498 | N | 32.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | cis | -164.5 | 129.8 | -4.4 | -107.5 | -18.3 | 0 | 0 | 0 | 113.6 | ||||
| 499 | K | 34.2 | Very low | 33.6 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 67.7 | 146.6 | 152.9 | -60.2 | 169 | -177.3 | 175.3 | 0 | 117.1 | ||||
| 500 | K | 34.5 | Very low | 33.3 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | cis | -170 | 171.7 | 6.2 | -120.4 | -173.4 | 152.8 | -89.4 | 0 | 107.3 | ||||
| 501 | D | 38.3 | Very low | 33.4 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 45% | 0.449 | 76% | 0.759 | S | S | . | * | cis | -165.9 | 121.8 | -16.5 | -156.7 | 13.9 | 0 | 0 | 0 | 111.2 | ||||
| 502 | K | 36 | Very low | 33.3 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 67.7 | 160.3 | 159.4 | -62.3 | 153.3 | -171.8 | 152 | 0 | 119.3 | ||||
| 503 | A | 38.8 | Very low | 33.5 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | cis | -140.9 | -177.3 | 9.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 504 | I | 32.7 | Very low | 33.5 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -140.1 | -163.5 | -162.7 | -20.1 | 178.8 | 0 | 0 | 0 | 114.4 | ||||
| 505 | P | 39.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | -132.4 | -166.4 | -121.1 | 48 | -28.7 | 0 | 0 | 0 | 119.2 | |||||
| 506 | G | 35.8 | Very low | 33.4 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | 175.6 | 125.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 507 | V | 34.7 | Very low | 33.1 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 95% | 0.952 | 77% | 0.77 | S | S | * | * | 64.8 | 127.8 | 68.3 | -177.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 508 | G | 31.1 | Very low | 32.8 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | cis | 172.9 | -154.6 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 509 | V | 34 | Very low | 32.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | trans | 92.1 | 152.3 | 169.4 | -170.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 510 | S | 27.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -145.2 | 166.9 | -166.1 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 511 | C | 33.3 | Very low | 31.7 | Very low | 123 Ų | 123 | 125 Ų | 125 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | 167.2 | 143.3 | 132.5 | -92 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 512 | D | 28.4 | Very low | 31.3 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -85.4 | -168.4 | 162 | -58.8 | -74.1 | 0 | 0 | 0 | 110.4 | ||||
| 513 | P | 36.1 | Very low | 31.1 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | -143.7 | -172.5 | 0.6 | 40.6 | -18.8 | 0 | 0 | 0 | 118.2 | ||||
| 514 | M | 32.1 | Very low | 30.8 | Very low | 164 Ų | 164 | 123.8 Ų | 123.8 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 97.9 | 171.1 | 142.9 | -126.8 | 170 | 176.6 | 0 | 0 | 121.4 | ||||
| 515 | E | 27.2 | Very low | 31 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -85.5 | 156.8 | -149.3 | -61 | 165.5 | 115.8 | 0 | 0 | 115.2 | ||||
| 516 | G | 31.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -166.6 | 114.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 517 | T | 25.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -75 | 165.9 | -174.8 | 2.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 518 | L | 26.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 83.4 | 116.3 | 142.8 | -78.5 | 164.8 | 0 | 0 | 0 | 122.7 | ||||
| 519 | T | 24.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | 49.3 | 111.3 | 134.3 | 51.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 520 | A | 26.4 | Very low | 30.8 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 69.6 | 174.5 | 107.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 521 | V | 26.5 | Very low | 30.8 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 63.1 | 137.4 | -175.9 | -127.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 522 | T | 30.8 | Very low | 30.5 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | cis | -160.4 | 165.4 | 37.8 | 33.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 523 | S | 31 | Very low | 30.4 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | 176.9 | 179.3 | -12.1 | 57 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 524 | V | 32.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | trans | 71.3 | 133.1 | 150.3 | 155.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 525 | H | 37.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | cis | -164.8 | 167.8 | 0.9 | -112.9 | -9.1 | 0 | 0 | 0 | 106.7 | ||||
| 526 | K | 36.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 123 Ų | 123 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | cis | -162.3 | 155.5 | 4 | -141.1 | 167.2 | -172.4 | 176.8 | 0 | 110.7 | ||||
| 527 | S | 35.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | 52.5 | 141.7 | 143.1 | 61.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 528 | D | 33.5 | Very low | 29.6 | Very low | 132 Ų | 132 | 124 Ų | 124 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | cis | -174.7 | 158.6 | -14.3 | -100.7 | -36.1 | 0 | 0 | 0 | 109.7 | ||||
| 529 | I | 32.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 56 | 137.7 | 139 | -67 | 168.6 | 0 | 0 | 0 | 119 | ||||
| 530 | S | 31.2 | Very low | 29.9 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | cis | -174.2 | 133.7 | -9.3 | 61.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 531 | T | 27.6 | Very low | 30 | Very low | 112 Ų | 112 | 128 Ų | 128 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | 91 | 120.6 | 96.9 | -64.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 532 | E | 27.1 | Very low | 30.1 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | trans | 68.7 | 136.9 | 149.3 | -77.2 | 168.7 | -146.2 | 0 | 0 | 123.9 | ||||
| 533 | N | 26.2 | Very low | 29.9 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | trans | 60.2 | 154.5 | 130.9 | -57.8 | -15 | 0 | 0 | 0 | 121.1 | ||||
| 534 | S | 24.5 | Very low | 29.8 | Very low | 84 Ų | 84 | 130 Ų | 130 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | cis | -164.5 | 171.5 | -22.9 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 535 | E | 25.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | trans | 63.7 | 130.2 | 147.8 | -75.3 | 163 | 147.1 | 0 | 0 | 123 | ||||
| 536 | T | 24.8 | Very low | 29.1 | Very low | 144 Ų | 144 | 128 Ų | 128 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | 68.3 | 132.2 | 144.1 | 59 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 537 | G | 30.3 | Very low | 28.7 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | trans | 174.1 | 41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 538 | E | 30.7 | Very low | 28.3 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | -65 | 156.9 | 158.4 | -106.3 | -171.6 | -141.6 | 0 | 0 | 110 | ||||
| 539 | P | 32.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | cis | -148.3 | 174.6 | 47.8 | 39.7 | -18.3 | 0 | 0 | 0 | 118.3 | ||||
| 540 | Y | 25.2 | Very low | 28 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | trans | 22 | 148.2 | 135.7 | -63.2 | -121.4 | 0 | 0 | 0 | 120.4 | ||||
| 541 | F | 27.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | -170.9 | 152.3 | 54.4 | -102.3 | -69.3 | 0 | 0 | 0 | 113.3 | |||||
| 542 | Q | 28.5 | Very low | 27.7 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 71% | 0.71 | 72% | 0.72 | S | S | * | * | trans | 60.6 | 144.2 | 143.1 | -80.2 | 152.1 | -10.7 | 0 | 0 | 121.1 | ||||
| 543 | N | 26.8 | Very low | 27.7 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -168.9 | 165.7 | -12.4 | -127.7 | 24.6 | 0 | 0 | 0 | 110.7 | ||||
| 544 | V | 28.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | trans | 60.9 | 101.5 | 150.6 | 169.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 545 | S | 27 | Very low | 27.7 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | 68.5 | 145.7 | 77 | 87.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 546 | D | 29.3 | Very low | 27.8 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -139.9 | 175.3 | 20.5 | -76.9 | -77.2 | 0 | 0 | 0 | 113.5 | ||||
| 547 | E | 28.3 | Very low | 27.7 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | 56.7 | 107 | 155.3 | -73 | 162.7 | -172.1 | 0 | 0 | 119 | ||||
| 548 | E | 27.3 | Very low | 27.4 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | 75.8 | 129.1 | 86.7 | -74.5 | -159.7 | 155.3 | 0 | 0 | 113.9 | |||||
| 549 | I | 31.1 | Very low | 27.1 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | cis | -142.7 | 154.3 | 6 | -105.9 | 151.3 | 0 | 0 | 0 | 112.3 | ||||
| 550 | H | 28.3 | Very low | 26.8 | Very low | 154 Ų | 154 | 142 Ų | 142 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -48.6 | 157.5 | 171.5 | -85.1 | -112.9 | 0 | 0 | 0 | 115.8 | ||||
| 551 | E | 27.6 | Very low | 27 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | cis | -164.6 | 149.3 | -8.6 | 176.2 | 161.4 | -158.7 | 0 | 0 | 111.2 | ||||
| 552 | K | 26 | Very low | 26.8 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -113.4 | 132 | 169.8 | -77.7 | 177.6 | 177.5 | 170 | 0 | 110.4 | ||||
| 553 | S | 25.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 40 | 90 | 146.8 | 63 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 554 | F | 25.3 | Very low | 26.8 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 77% | 0.768 | 74% | 0.742 | S | S | * | * | trans | -120.5 | 119.8 | 146.4 | -74.9 | -85.5 | 0 | 0 | 0 | 107.1 | ||||
| 555 | H | 26 | Very low | 26.9 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | cis | 63.8 | 43.7 | 49.6 | -119.4 | -52.7 | 0 | 0 | 0 | 113.8 | N557 | H555-N557 PolarHBondContact O-N 2.84Š| ||
| 556 | A | 26.6 | Very low | 26.9 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -72.1 | 105.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F558 | A556-F558 PolarHBondContact O-N 2.82Š| ||
| 557 | N | 23.6 | Very low | 26.9 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | -72.3 | 118.7 | 172.8 | -67.7 | -43.4 | 0 | 0 | 0 | 110.4 | H555 | H555-N557 PolarHBondContact O-N 2.84Š| ||
| 558 | F | 24.9 | Very low | 27 | Very low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -105.4 | 80.6 | 171.6 | -121 | -82.5 | 0 | 0 | 0 | 111.8 | A556 V560 | A556-F558 PolarHBondContact O-N 2.82Å; F558-V560 HydrophobicContact CD1-CG2 4Å; F558-V560 HydrophobicContact CE1-CG2 4.41Å; F558-V560 PolarHBondContact O-N 3.14Å; F558-V560 VanDerWaalsContact O-N 3.15Å | ||
| 559 | T | 24.2 | Very low | 27.2 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -74.6 | 96.5 | 178.2 | -53.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 560 | V | 26.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | trans | -131 | 93.1 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | F558 | F558-V560 HydrophobicContact CD1-CG2 4Å; F558-V560 HydrophobicContact CE1-CG2 4.41Å; F558-V560 PolarHBondContact O-N 3.14Å; F558-V560 VanDerWaalsContact O-N 3.15Å | ||
| 561 | N | 27.5 | Very low | 27.3 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 48.7 | 69.6 | 152.4 | -65.1 | -27.3 | 0 | 0 | 0 | 118.4 | R563 | N561-R563 PolarHBondContact O-N 3.32Å; N561-R563 VanDerWaalsContact O-N 3.11Å | ||
| 562 | N | 24.7 | Very low | 27.3 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | -57.2 | 109 | 138.1 | -79.1 | -27.5 | 0 | 0 | 0 | 108.7 | ||||
| 563 | R | 29.7 | Very low | 27.5 | Very low | 238 Ų | 238 | 138.8 Ų | 138.8 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -103.7 | 100.1 | 153.3 | -90.5 | -166.8 | 174.6 | -173.3 | -0.4 | 108.1 | N561 | N561-R563 PolarHBondContact O-N 3.32Å; N561-R563 VanDerWaalsContact O-N 3.11Å | ||
| 564 | A | 25.9 | Very low | 27.7 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 57% | 0.57 | 75% | 0.746 | S | S | * | * | trans | -60.3 | 137.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 565 | L | 30.1 | Very low | 27.7 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | -113.5 | 78.1 | 143 | -80 | 176 | 0 | 0 | 0 | 106.3 | V567 | L565-V567 PolarHBondContact O-N 2.98Å; L565-V567 VanDerWaalsContact O-N 3.16Å | ||
| 566 | D | 26.5 | Very low | 27.9 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -58.5 | 114.9 | 159.9 | -72.2 | -55.6 | 0 | 0 | 0 | 107.8 | ||||
| 567 | V | 30.6 | Very low | 27.9 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | trans | -117.6 | 73.5 | 163.2 | -174.9 | 0 | 0 | 0 | 0 | 106.2 | L565 L569 | L565-V567 PolarHBondContact O-N 2.98Å; L565-V567 VanDerWaalsContact O-N 3.16Å; V567-L569 HydrophobicContact CG1-CD1 4.22Å; V567-L569 PolarHBondContact O-N 2.71Å | ||
| 568 | D | 28.7 | Very low | 28 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -55.8 | 117.1 | 162.9 | 167.9 | 31 | 0 | 0 | 0 | 108.6 | D570 | D568-D570 PolarHBondContact OD1-N 2.75Š| ||
| 569 | L | 32.5 | Very low | 28.2 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -146.3 | 40.4 | 173.6 | -110.1 | 175.4 | 0 | 0 | 0 | 111.8 | V567 K571 | V567-L569 HydrophobicContact CG1-CD1 4.22Å; V567-L569 PolarHBondContact O-N 2.71Å; L569-K571 PolarHBondContact O-N 2.87Å | ||
| 570 | D | 28 | Very low | 28.2 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -72.7 | 82.6 | 164.7 | -164.9 | 7.6 | 0 | 0 | 0 | 109.8 | D568 | D568-D570 PolarHBondContact OD1-N 2.75Š| ||
| 571 | K | 32.2 | Very low | 28.3 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -153 | 81.2 | 177.7 | -98.9 | 125.7 | -165.8 | 160.3 | 0 | 113.6 | L569 | L569-K571 PolarHBondContact O-N 2.87Š| ||
| 572 | S | 29.2 | Very low | 28.1 | Very low | 89 Ų | 89 | 146.9 Ų | 146.9 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | 47.8 | 113.7 | 128.5 | 66.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 573 | T | 29.8 | Very low | 28.2 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | 66 | 164.5 | 134.2 | 55.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 574 | P | 30.3 | Very low | 28.1 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -126.1 | 168 | -17.2 | 27.1 | -7.2 | 0 | 0 | 0 | 114.7 | ||||
| 575 | E | 24.6 | Very low | 28 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -64.7 | 146.9 | 162 | -58.1 | 177.1 | 122 | 0 | 0 | 112 | ||||
| 576 | I | 29.4 | Very low | 27.9 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -127.7 | 109.6 | 160.7 | -62 | -178.7 | 0 | 0 | 0 | 108.5 | ||||
| 577 | P | 27 | Very low | 27.9 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -75 | 130.9 | -178.2 | 29.7 | -34.1 | 0 | 0 | 0 | 111.2 | ||||
| 578 | R | 27 | Very low | 27.7 | Very low | 240 Ų | 240 | 139.8 Ų | 139.8 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | -109.5 | 114.7 | 163.2 | -72.1 | -169.8 | 178.9 | -179.3 | 2 | 109.8 | ||||
| 579 | K | 28.3 | Very low | 27.4 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -62.3 | 138.8 | 172.3 | -72.6 | 179.9 | 176.2 | 178.5 | 0 | 110.2 | ||||
| 580 | V | 24.7 | Very low | 27.1 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | 36.1 | 101.7 | 138.9 | -170.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 581 | F | 26.7 | Very low | 27 | Very low | 212 Ų | 212 | 137.8 Ų | 137.8 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | -113.3 | 124.7 | 126 | -97.5 | -91.6 | 0 | 0 | 0 | 108.1 | |||||
| 582 | S | 24.6 | Very low | 26.8 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | trans | -74.8 | 174.2 | 165.7 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 583 | E | 26.1 | Very low | 26.8 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 85.1 | 152.3 | 174.9 | -52.2 | 175.9 | -163.2 | 0 | 0 | 116.7 | ||||
| 584 | T | 27.4 | Very low | 26.7 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 68.8 | 47.8 | 174.1 | 66.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 585 | S | 24.2 | Very low | 26.7 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -68.1 | 128.3 | 142 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | V587 | S585-V587 VanDerWaalsContact C-N 3.26Å; S585-V587 PolarHBondContact O-N 2.85Å | ||
| 586 | P | 27.9 | Very low | 26.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -77.8 | 73.4 | -176.1 | 32 | -35.6 | 0 | 0 | 0 | 111.7 | V588 | P586-V588 VanDerWaalsContact C-N 3.28Å; P586-V588 PolarHBondContact O-N 3.2Å | ||
| 587 | V | 25.8 | Very low | 26.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | -69.5 | 88.5 | 165 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | S585 C589 | S585-V587 VanDerWaalsContact C-N 3.26Å; S585-V587 PolarHBondContact O-N 2.85Å; V587-C589 PolarHBondContact O-N 2.83Å | ||
| 588 | V | 26.5 | Very low | 26.7 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | trans | -74.8 | 77.8 | 176.5 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | P586 L590 | P586-V588 VanDerWaalsContact C-N 3.28Å; P586-V588 PolarHBondContact O-N 3.2Å; V588-L590 VanDerWaalsContact C-N 3.34Å; V588-L590 HydrophobicContact CG1-CG 4.36Å; V588-L590 PolarHBondContact O-N 2.84Å | ||
| 589 | C | 24.4 | Very low | 26.8 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | trans | -64.1 | 92.3 | 165.6 | -74 | 0 | 0 | 0 | 0 | 109.6 | V587 N591 | V587-C589 PolarHBondContact O-N 2.83Å; C589-N591 PolarHBondContact O-N 2.8Å | ||
| 590 | L | 24.9 | Very low | 26.7 | Very low | 137 Ų | 137 | 133 Ų | 133 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -71.4 | 74.3 | 160.5 | -77.3 | 177.9 | 0 | 0 | 0 | 109.7 | V588 V592 | V588-L590 VanDerWaalsContact C-N 3.34Å; V588-L590 HydrophobicContact CG1-CG 4.36Å; V588-L590 PolarHBondContact O-N 2.84Å; L590-V592 PolarHBondContact O-N 3.19Å | ||
| 591 | N | 25.6 | Very low | 27 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -65.3 | 82.5 | 159.7 | -76.2 | -11 | 0 | 0 | 0 | 108.2 | C589 L593 | C589-N591 PolarHBondContact O-N 2.8Å; N591-L593 PolarHBondContact O-N 3.07Å | ||
| 592 | V | 29.6 | Very low | 27 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -72.6 | 98.4 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 107 | L590 E594 | L590-V592 PolarHBondContact O-N 3.19Å; V592-E594 PolarHBondContact O-N 3.04Å | ||
| 593 | L | 29 | Very low | 27.2 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -54.9 | 138.4 | 171.5 | -85 | 72.1 | 0 | 0 | 0 | 109.7 | N591 | N591-L593 PolarHBondContact O-N 3.07Š| ||
| 594 | E | 27.8 | Very low | 27.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 62% | 0.621 | 74% | 0.738 | S | S | * | * | trans | -55.1 | 135.9 | 161.2 | -78.5 | -165.7 | 117.7 | 0 | 0 | 109.2 | V592 Q596 | V592-E594 PolarHBondContact O-N 3.04Å; E594-Q596 PolarHBondContact O-N 2.65Å | ||
| 595 | P | 29.5 | Very low | 27.3 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -67.8 | 106.1 | 176.3 | 27.2 | -33.1 | 0 | 0 | 0 | 109.9 | I597 | P595-I597 VanDerWaalsContact C-N 3.32Å; P595-I597 PolarHBondContact O-N 2.87Å | ||
| 596 | Q | 25.7 | Very low | 27.4 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -65.3 | 87.5 | 173.3 | -71.7 | -167.3 | 8.5 | 0 | 0 | 111.3 | E594 K598 | E594-Q596 PolarHBondContact O-N 2.65Å; Q596-K598 PolarHBondContact O-N 2.84Å | ||
| 597 | I | 29.8 | Very low | 27.5 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -84.9 | 100.3 | 163.7 | -59.9 | -178.2 | 0 | 0 | 0 | 107.5 | P595 | P595-I597 VanDerWaalsContact C-N 3.32Å; P595-I597 PolarHBondContact O-N 2.87Å | ||
| 598 | K | 25.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 74% | 0.735 | 74% | 0.74 | S | S | * | * | trans | -56.6 | 140.4 | 171.3 | -66 | -175.4 | 177.2 | -173.2 | 0 | 110.4 | Q596 | Q596-K598 PolarHBondContact O-N 2.84Š| ||
| 599 | T | 29.8 | Very low | 27.9 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -154.9 | 95.8 | 149.8 | -12.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 600 | D | 26 | Very low | 28.1 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -60.3 | 141.2 | 171.3 | -52.1 | -84.1 | 0 | 0 | 0 | 109.7 | ||||
| 601 | L | 30.2 | Very low | 28.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | -179.2 | 156.3 | 104 | -92.5 | 168.6 | 0 | 0 | 0 | 111.3 | |||||
| 602 | N | 26.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -56.7 | 172 | 174.2 | -49.7 | -32.9 | 0 | 0 | 0 | 110.7 | ||||
| 603 | E | 29.8 | Very low | 28.4 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -176 | 140.6 | 48.6 | -153.9 | 164.5 | -171.7 | 0 | 0 | 109.7 | ||||
| 604 | F | 26.8 | Very low | 28.2 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 40 | 159.7 | 145.1 | -69.2 | -116.1 | 0 | 0 | 0 | 120.7 | ||||
| 605 | D | 29.5 | Very low | 28.4 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | -149 | 178.4 | 13.7 | -151.5 | -8.4 | 0 | 0 | 0 | 113 | ||||
| 606 | V | 26 | Very low | 28.2 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -87.1 | 144.6 | -172.5 | 175.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 607 | K | 30.1 | Very low | 28.4 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -173.8 | 143.9 | 131.4 | -98.7 | 147.4 | -166.8 | 169.1 | 0 | 115.2 | ||||
| 608 | T | 26.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -129.6 | -174.8 | -179.8 | 45 | 0 | 0 | 0 | 0 | 108 | ||||
| 609 | P | 33.8 | Very low | 28.4 | Very low | 98 Ų | 98 | 150.2 Ų | 150.2 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -130.9 | -152 | -26.1 | 23.1 | 3.2 | 0 | 0 | 0 | 111.6 | ||||
| 610 | E | 28.5 | Very low | 28.3 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 101.6 | 131 | 143.3 | -80.7 | 159.3 | -146.9 | 0 | 0 | 122.1 | ||||
| 611 | D | 26.8 | Very low | 28.3 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 39.9 | 125.3 | 161.6 | -71.6 | -0.3 | 0 | 0 | 0 | 124.4 | ||||
| 612 | I | 33.8 | Very low | 28.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | -165.5 | 152.7 | 109.7 | -95.4 | 155 | 0 | 0 | 0 | 110 | |||||
| 613 | R | 25.3 | Very low | 28.1 | Very low | 214 Ų | 214 | 147.6 Ų | 147.6 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -102.2 | 172.7 | -170.2 | -59.2 | 166 | 70.1 | 177.7 | 2.5 | 113.2 | ||||
| 614 | L | 25.9 | Very low | 27.8 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 70.8 | 114.2 | 154.2 | -70.1 | 156.2 | 0 | 0 | 0 | 119 | ||||
| 615 | N | 30.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | -169.2 | 162.5 | 82.9 | -102.8 | -27.7 | 0 | 0 | 0 | 113.4 | |||||
| 616 | Y | 25.7 | Very low | 27.6 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | trans | -119.8 | 145.1 | -172.1 | -150.5 | -109.5 | 0 | 0 | 0 | 109.3 | E618 | Y616-E618 HydrophobicContact CD1-CG 3.87Å; Y616-E618 HydrophobicContact CE1-CG 3.46Å; Y616-E618 VanDerWaalsContact CE1-CG 3.46Å | ||
| 617 | V | 29.7 | Very low | 27.7 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -148.7 | 126 | 158 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 618 | E | 26.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | -97.9 | 162.3 | 171.8 | -58.6 | 166.8 | 126.5 | 0 | 0 | 110.4 | Y616 | Y616-E618 HydrophobicContact CD1-CG 3.87Å; Y616-E618 HydrophobicContact CE1-CG 3.46Å; Y616-E618 VanDerWaalsContact CE1-CG 3.46Å | ||
| 619 | A | 29.8 | Very low | 27.6 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -162.8 | 135.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 620 | N | 26.5 | Very low | 27.2 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -109.4 | 164.6 | 167.1 | -115.3 | -27.4 | 0 | 0 | 0 | 108.7 | ||||
| 621 | V | 26.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 149 Ų | 149 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | 67.8 | 112.5 | 150.4 | 170.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 622 | S | 25.6 | Very low | 27.4 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 64.7 | 161.2 | 135.3 | -61.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 623 | T | 27.3 | Very low | 27.3 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 75 | 96.9 | 155 | 33.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 624 | N | 23.9 | Very low | 27.4 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | 65.5 | 141.7 | 119.7 | -80.1 | -9.6 | 0 | 0 | 0 | 123.7 | |||||
| 625 | V | 25.9 | Very low | 27.5 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | 71.8 | 140.2 | 148.9 | 160.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 626 | R | 24.5 | Very low | 27.7 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -172 | 170.4 | -21.9 | -163.2 | 171.3 | -175.2 | 172 | 7.2 | 107.1 | ||||
| 627 | E | 28 | Very low | 27.7 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | trans | 64.8 | 150.6 | 165.4 | -82 | 131.1 | -127.5 | 0 | 0 | 117.2 | ||||
| 628 | E | 25.7 | Very low | 27.6 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | cis | -150.2 | -154.6 | -17.5 | -142.1 | -174.4 | 176.1 | 0 | 0 | 110.2 | V630 | E628-V630 HydrophobicContact CG-CG2 4.24Š| ||
| 629 | F | 29.7 | Very low | 27.7 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 68 | 91.3 | -171.8 | -61.2 | -83.1 | 0 | 0 | 0 | 114 | ||||
| 630 | V | 26.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 134 Ų | 134 | 62% | 0.624 | 74% | 0.742 | S | S | * | * | cis | 59.9 | 99.2 | 46.9 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | E628 | E628-V630 HydrophobicContact CG-CG2 4.24Š| ||
| 631 | D | 30.5 | Very low | 27.5 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | -166.9 | 143.7 | 87.6 | -142.3 | 4 | 0 | 0 | 0 | 117.8 | |||||
| 632 | N | 29 | Very low | 27.4 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 65.9 | 120.7 | 143.2 | -90.5 | -43.2 | 0 | 0 | 0 | 127 | ||||
| 633 | L | 30.3 | Very low | 27.4 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 80.6 | 134 | 145 | -55.8 | 166.5 | 0 | 0 | 0 | 121.2 | ||||
| 634 | S | 28.3 | Very low | 27.2 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | cis | -172.7 | 131.5 | -13.9 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 635 | S | 28.3 | Very low | 27.3 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 59.6 | 153.9 | 155.4 | 73.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 636 | V | 33.3 | Very low | 27.2 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | cis | -140.9 | 114.4 | 12.5 | 170.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 637 | S | 26.8 | Very low | 27.3 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | 73.6 | 115.5 | 62.2 | 77.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 638 | S | 26.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 66.1 | 153.8 | 163.2 | 77.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 639 | S | 29.5 | Very low | 27.3 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | cis | -140.7 | 154.7 | 15 | -67.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 640 | K | 25.7 | Very low | 27.1 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 147.8 | 162.7 | -65.8 | 174.1 | 177.9 | 175.5 | 0 | 110.2 | ||||
| 641 | V | 26.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | trans | -125.1 | 101.2 | 160.7 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | Y643 | V641-Y643 HydrophobicContact CG1-CD2 3.71Å; V641-Y643 HydrophobicContact CG1-CE1 4.49Å; V641-Y643 HydrophobicContact CG1-CE2 3.44Å; V641-Y643 VanDerWaalsContact CG1-CE2 3.44Å; V641-Y643 HydrophobicContact CG1-CG 4.35Å | ||
| 642 | V | 23.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -89.4 | 106.9 | 169.8 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | K644 | V642-K644 VanDerWaalsContact C-N 3.3Å; V642-K644 HydrophobicContact CG1-CB 4.4Å; V642-K644 PolarHBondContact O-N 2.81Å | ||
| 643 | Y | 26 | Very low | 27 | Very low | 200 Ų | 200 | 138.6 Ų | 138.6 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -81.5 | 79.5 | 170.4 | -85.2 | -64.3 | 0 | 0 | 0 | 111.2 | V641 L645 | V641-Y643 HydrophobicContact CG1-CD2 3.71Å; V641-Y643 HydrophobicContact CG1-CE1 4.49Å; V641-Y643 HydrophobicContact CG1-CE2 3.44Å; V641-Y643 VanDerWaalsContact CG1-CE2 3.44Å; V641-Y643 HydrophobicContact CG1-CG 4.35Å; Y643-L645 PolarHBondContact O-N 3.08Å | ||
| 644 | K | 23.1 | Very low | 26.9 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -79.7 | 96.6 | 162.4 | -168.2 | 178.4 | -173 | -180 | 0 | 107.9 | V642 | V642-K644 VanDerWaalsContact C-N 3.3Å; V642-K644 HydrophobicContact CG1-CB 4.4Å; V642-K644 PolarHBondContact O-N 2.81Å | ||
| 645 | L | 26.2 | Very low | 26.9 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -109.1 | 86.8 | 172 | -103.1 | 169.3 | 0 | 0 | 0 | 109.7 | Y643 | Y643-L645 PolarHBondContact O-N 3.08Š| ||
| 646 | T | 24.4 | Very low | 26.8 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 59% | 0.589 | 77% | 0.77 | S | S | * | * | trans | -78.4 | 161 | 165.3 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 647 | E | 25.3 | Very low | 26.6 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 82.4 | 133.4 | 158.7 | -74.7 | -165.7 | 113.1 | 0 | 0 | 122.1 | ||||
| 648 | V | 25.7 | Very low | 26.6 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | trans | 58.1 | 102.6 | 149.8 | -176 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 649 | D | 28.3 | Very low | 26.7 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | -130.4 | 150.5 | 96.3 | -156.9 | -12.1 | 0 | 0 | 0 | 110.2 | |||||
| 650 | K | 26.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | -128.8 | 72.7 | -176.4 | -77.6 | -176.7 | 178.1 | 172 | 0 | 111 | ||||
| 651 | S | 26.3 | Very low | 26.9 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -161.4 | 137.3 | 161.3 | -81.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 652 | V | 30.4 | Very low | 27.1 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | cis | -127 | 136.2 | 19.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 653 | K | 26.5 | Very low | 27.2 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -132.9 | 118.6 | 160.3 | -92.8 | -168.3 | 175.7 | -174.5 | 0 | 108.6 | ||||
| 654 | Q | 27.4 | Very low | 27.1 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -170.7 | 161.3 | 152.1 | -109.7 | 169.2 | 29.1 | 0 | 0 | 110.2 | ||||
| 655 | L | 28.9 | Very low | 27.3 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 63.4 | 96 | -171.9 | -56.6 | 162.8 | 0 | 0 | 0 | 111.9 | ||||
| 656 | A | 27.3 | Very low | 27.3 | Very low | 89 Ų | 89 | 149.8 Ų | 149.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | cis | 64.1 | 132 | 34.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 657 | K | 29.1 | Very low | 27.5 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -151.6 | 150.7 | 44 | -83.1 | 174.8 | 170.5 | 176.7 | 0 | 114.5 | ||||
| 658 | I | 26.2 | Very low | 27.5 | Very low | 139 Ų | 139 | 152 Ų | 152 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 50.1 | 123.1 | 130.3 | -47.6 | 167.1 | 0 | 0 | 0 | 116.5 | ||||
| 659 | T | 28.6 | Very low | 27.5 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | -163.4 | 127 | 70.9 | -45.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 660 | K | 30.1 | Very low | 27.4 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 34.6 | 128.5 | 150.4 | -57.1 | -179.8 | 177.9 | -178.5 | 0 | 123.3 | ||||
| 661 | E | 28.9 | Very low | 27.5 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 170.7 | 156.4 | -147 | -172 | -131.7 | 0 | 0 | 112.6 | Q663 | E661-Q663 WeakPolarHBondContact OE2-CG 3.43Š| ||
| 662 | P | 29.7 | Very low | 27.6 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -148.9 | 131.4 | 90.3 | 37.5 | -19.3 | 0 | 0 | 0 | 118 | |||||
| 663 | Q | 26.2 | Very low | 27.4 | Very low | 150 Ų | 150 | 153 Ų | 153 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | 40.1 | 119.8 | 129.9 | -56.1 | -169.6 | -5.2 | 0 | 0 | 124.1 | E661 | E661-Q663 WeakPolarHBondContact OE2-CG 3.43Š| |||
| 664 | V | 24.7 | Very low | 27.6 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 62.2 | 115.9 | 119.6 | -176.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 665 | L | 27.1 | Very low | 27.6 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | -159 | 157.4 | 111.6 | -105.4 | 171.5 | 0 | 0 | 0 | 111 | |||||
| 666 | K | 25.7 | Very low | 27.6 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -104.7 | 145.9 | 174 | -65.3 | 178.4 | 177.8 | -179.8 | 0 | 109.3 | ||||
| 667 | E | 29.5 | Very low | 27.7 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -169.9 | 109.7 | 134.5 | -109 | 157.8 | -147.7 | 0 | 0 | 113.5 | ||||
| 668 | N | 25.4 | Very low | 27.6 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 40.8 | 132.6 | 130.4 | -73.8 | 7.3 | 0 | 0 | 0 | 124.6 | ||||
| 669 | F | 25.7 | Very low | 27.7 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | 79.4 | 130.1 | 143.5 | -74 | -60.9 | 0 | 0 | 0 | 123.2 | ||||
| 670 | D | 26.6 | Very low | 27.5 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 81.7 | 170.2 | 140 | -70.3 | -10.5 | 0 | 0 | 0 | 122.6 | ||||
| 671 | S | 27.1 | Very low | 27.6 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -101.2 | 151.4 | -141.6 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 672 | N | 28.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 70 | 170.9 | 171 | -56.8 | -75.9 | 0 | 0 | 0 | 116.1 | ||||
| 673 | I | 27.6 | Very low | 27.6 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 79.7 | 86.1 | 165.1 | -61.5 | 179.5 | 0 | 0 | 0 | 117.1 | ||||
| 674 | L | 29 | Very low | 27.6 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | 77.5 | 154 | 120.1 | -88.1 | 164.6 | 0 | 0 | 0 | 123.8 | |||||
| 675 | K | 27.9 | Very low | 27.8 | Very low | 180 Ų | 180 | 146 Ų | 146 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 89.7 | 107.9 | 150.9 | -76.7 | 154.9 | -177.1 | 176.6 | 0 | 120.6 | ||||
| 676 | I | 29.8 | Very low | 28 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -53 | 137.9 | 149.8 | -60.9 | 163.6 | 0 | 0 | 0 | 109.7 | S678 | I676-S678 PolarHBondContact O-N 3.35Š| ||
| 677 | P | 29.2 | Very low | 28.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -77.2 | 112.2 | 179.4 | 30 | -34.4 | 0 | 0 | 0 | 112.7 | L679 | P677-L679 PolarHBondContact O-N 3Š| ||
| 678 | S | 25.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -81.6 | 86.1 | 170.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | I676 A680 | I676-S678 PolarHBondContact O-N 3.35Å; S678-A680 PolarHBondContact O-N 3.01Å; S678-A680 VanDerWaalsContact O-N 3.08Å | ||
| 679 | L | 28.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -84 | 77.5 | -177.6 | -162.1 | 78.2 | 0 | 0 | 0 | 112.9 | P677 K681 | P677-L679 PolarHBondContact O-N 3Å; L679-K681 PolarHBondContact O-N 3.03Å | ||
| 680 | A | 25.8 | Very low | 28.8 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -79 | 108.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S678 | S678-A680 PolarHBondContact O-N 3.01Å; S678-A680 VanDerWaalsContact O-N 3.08Å | ||
| 681 | K | 30.8 | Very low | 28.8 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -140.5 | 109.6 | 163.6 | -75.2 | -168.7 | 176.9 | 177.4 | 0 | 110.9 | L679 | L679-K681 PolarHBondContact O-N 3.03Š| ||
| 682 | S | 27 | Very low | 28.8 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -82.6 | 149.4 | 173.9 | 55.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 683 | P | 31.8 | Very low | 29.1 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -67.5 | 163.9 | 153.1 | 31.2 | -32 | 0 | 0 | 0 | 110.4 | ||||
| 684 | K | 27.4 | Very low | 29.1 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -104.6 | -178.5 | -173.3 | -61.3 | 178.8 | 178.7 | 179.3 | 0 | 111.9 | ||||
| 685 | S | 29.1 | Very low | 29.1 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 67.4 | 134.2 | 167.9 | 36.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 686 | N | 31.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | cis | -138.9 | 153.7 | 2 | -82.9 | -34.1 | 0 | 0 | 0 | 112 | ||||
| 687 | S | 27.4 | Very low | 29.2 | Very low | 88 Ų | 88 | 130 Ų | 130 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | -5.3 | 153.6 | 124.5 | 20.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 688 | D | 31.9 | Very low | 29.3 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | cis | -157.8 | -163.7 | 14.9 | -117.3 | -24 | 0 | 0 | 0 | 110.6 | ||||
| 689 | P | 34.7 | Very low | 29.6 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | -128.9 | -138.3 | -99.4 | 34.3 | -8 | 0 | 0 | 0 | 113.2 | |||||
| 690 | I | 28.4 | Very low | 30 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 82.2 | 123.1 | 166.4 | -60.4 | 159.6 | 0 | 0 | 0 | 114.5 | ||||
| 691 | I | 27.1 | Very low | 30.3 | Very low | 142 Ų | 142 | 131 Ų | 131 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | cis | 83 | 139.1 | 33.3 | -52.3 | 163.1 | 0 | 0 | 0 | 111.5 | ||||
| 692 | V | 27.3 | Very low | 30.4 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | cis | -109.5 | -143.8 | 5.6 | -131.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 693 | I | 33.8 | Very low | 30.6 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | cis | -139.8 | 158.5 | 3.7 | -48.4 | 162.5 | 0 | 0 | 0 | 108.3 | ||||
| 694 | S | 27.6 | Very low | 30.5 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -114.4 | 145.1 | 176 | 54 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 695 | G | 29.4 | Very low | 30.6 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | trans | -170.6 | 129.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 696 | K | 29.3 | Very low | 30.8 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 68.5 | 132.4 | 66.7 | -80.6 | -170 | 170.5 | -105.2 | 0 | 112.9 | |||||
| 697 | Q | 29.6 | Very low | 30.9 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | cis | -168.5 | 160.7 | -12 | -135.6 | -172.9 | -79.8 | 0 | 0 | 108.9 | ||||
| 698 | D | 31 | Very low | 30.9 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | 61.8 | 165.5 | 159 | -40.5 | -35.3 | 0 | 0 | 0 | 117.3 | ||||
| 699 | D | 33.2 | Very low | 30.9 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | -153.5 | 167.9 | -1.8 | -147.5 | -23.6 | 0 | 0 | 0 | 112.4 | ||||
| 700 | S | 36.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 66 | 145.3 | 161.9 | 70.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 701 | N | 31.6 | Very low | 31 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | cis | 141.8 | 125 | -12.7 | -95 | -40.5 | 0 | 0 | 0 | 107.3 | ||||
| 702 | L | 33.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | 163.4 | 133.9 | 105.4 | -147.5 | 77.3 | 0 | 0 | 0 | 113.8 | |||||
| 703 | C | 31.6 | Very low | 31.2 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | trans | 55.2 | 146 | 145.1 | -84.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 704 | T | 28.4 | Very low | 30.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -165.2 | 161.7 | -22.1 | 1.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 705 | R | 30.8 | Very low | 30.9 | Very low | 237 Ų | 237 | 137.1 Ų | 137.1 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | 76.5 | 118.7 | 149.1 | -80.8 | 178.1 | 176.4 | 175.8 | -1.5 | 121.9 | ||||
| 706 | E | 32.8 | Very low | 30.7 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -73.6 | 173.7 | 142.9 | -55.7 | 168.7 | 121.4 | 0 | 0 | 110.6 | ||||
| 707 | P | 33.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | -145.3 | 178.1 | 91.5 | 39.9 | -23.9 | 0 | 0 | 0 | 115.9 | |||||
| 708 | E | 27.7 | Very low | 30.5 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 163.8 | -174.9 | -53.2 | 170.1 | 96.9 | 0 | 0 | 115.6 | ||||
| 709 | V | 31.2 | Very low | 30.3 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 69.7 | 157.7 | 144.8 | 158.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 710 | P | 30.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | cis | -119.7 | -176.9 | -1.5 | 39.4 | -24.5 | 0 | 0 | 0 | 115.4 | ||||
| 711 | E | 34.4 | Very low | 29.8 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 159.9 | 153.5 | -66.2 | -171 | 138.9 | 0 | 0 | 111.4 | ||||
| 712 | P | 32.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | -145.4 | 148.8 | 121.6 | 37.1 | -23.2 | 0 | 0 | 0 | 117.2 | |||||
| 713 | D | 27 | Very low | 29.7 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 2.9 | 129.3 | 152.6 | -83.6 | -66 | 0 | 0 | 0 | 123.5 | ||||
| 714 | T | 26.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | 38.4 | 100 | 106.3 | -38.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 715 | S | 28 | Very low | 30 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -157.7 | 155.6 | 145.5 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 716 | L | 24.4 | Very low | 30.1 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -88.4 | 150 | 176.3 | -67.4 | 156.6 | 0 | 0 | 0 | 110.3 | ||||
| 717 | S | 29 | Very low | 30.1 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 135.9 | 155.4 | -82.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 718 | L | 25.5 | Very low | 30 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -125.8 | 163.9 | 179.3 | -118.4 | 169.9 | 0 | 0 | 0 | 108.4 | ||||
| 719 | S | 26.7 | Very low | 30.1 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 61.4 | 110.5 | 158.4 | 58.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 720 | S | 30.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -155.3 | 118.5 | 134.7 | 45.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 721 | L | 28.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | cis | 92.7 | 140.9 | 23.3 | -155.7 | 76.3 | 0 | 0 | 0 | 114.1 | ||||
| 722 | V | 32.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 80.2 | 128.3 | -175.9 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 723 | G | 31 | Very low | 30 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | -168.6 | -160.9 | 1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 724 | D | 33.2 | Very low | 30.1 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 76.5 | 77.6 | 167.1 | -61.2 | 9.7 | 0 | 0 | 0 | 120 | ||||
| 725 | D | 32.9 | Very low | 30.2 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 37.1 | 121.4 | 122.4 | -66.7 | -3.5 | 0 | 0 | 0 | 122.7 | |||||
| 726 | S | 32.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | -174.9 | 111 | 125.3 | -82.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 727 | P | 32.8 | Very low | 30.7 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -97.7 | 162 | 171.1 | 37.4 | -33.3 | 0 | 0 | 0 | 112.8 | ||||
| 728 | I | 32.3 | Very low | 30.8 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 178.8 | 152.8 | 134.5 | -94.5 | 156.4 | 0 | 0 | 0 | 112.3 | ||||
| 729 | H | 30.1 | Very low | 31 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -65.5 | 153 | -174.2 | -66.7 | -116.9 | 0 | 0 | 0 | 116 | V731 | H729-V731 HydrophobicContact CB-CG2 4.47Š| ||
| 730 | N | 32.4 | Very low | 31.2 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | -170.2 | 114.9 | 111 | -86.3 | -36 | 0 | 0 | 0 | 109.4 | |||||
| 731 | V | 30.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | 73.1 | 95.4 | 70.7 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | H729 | H729-V731 HydrophobicContact CB-CG2 4.47Š| |||
| 732 | L | 27.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | 102.3 | -177.4 | 78 | -141.4 | 79.7 | 0 | 0 | 0 | 111.2 | |||||
| 733 | P | 35.4 | Very low | 31 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | -99 | -159.2 | -110 | 35.7 | -16.5 | 0 | 0 | 0 | 113.2 | |||||
| 734 | T | 29.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | cis | -174.2 | 143.9 | 34.5 | -18.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 735 | S | 28.4 | Very low | 30.6 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 67.8 | 164.1 | 146 | 89.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 736 | S | 32.6 | Very low | 30.3 | Very low | 76 Ų | 76 | 140 Ų | 140 | 53% | 0.531 | 76% | 0.757 | S | S | . | * | cis | -156.1 | 162.9 | 7.5 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 737 | Y | 31.3 | Very low | 29.9 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | 71.7 | 138.4 | 146.3 | -61.8 | -24.9 | 0 | 0 | 0 | 121.1 | ||||
| 738 | L | 30.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | cis | -154.4 | 136.4 | -13.4 | -97.4 | 179.4 | 0 | 0 | 0 | 112.2 | ||||
| 739 | K | 30.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 53 | 121.7 | 135.4 | -71.1 | -176.7 | 178.5 | 178.3 | 0 | 124.1 | ||||
| 740 | H | 29.1 | Very low | 29.2 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | 67.6 | 164 | 125.3 | -53.8 | -37.3 | 0 | 0 | 0 | 119.4 | |||||
| 741 | I | 30.7 | Very low | 29 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | cis | -116.3 | 153.1 | 0.6 | -88.2 | 87 | 0 | 0 | 0 | 110.8 | ||||
| 742 | T | 27 | Very low | 28.8 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -100.1 | 135.8 | 169.7 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 743 | S | 30.4 | Very low | 28.9 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -161.4 | 129.4 | 158.2 | 54.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 744 | K | 25.8 | Very low | 28.5 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -93.6 | 138.4 | 165.2 | -60.6 | 174.1 | 178.1 | 178.8 | 0 | 109.1 | ||||
| 745 | T | 29.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -163.3 | 123.1 | 146.2 | 11.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 746 | K | 28.2 | Very low | 28.1 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | 20.3 | 121.7 | 142.6 | -66.2 | -173.5 | 176.3 | -175.1 | 0 | 122.3 | ||||
| 747 | C | 24.3 | Very low | 27.8 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | 83.5 | 134.4 | 120.1 | -65.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 748 | K | 27.4 | Very low | 27.5 | Very low | 209 Ų | 209 | 136.1 Ų | 136.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | 63.4 | 91.9 | 142.2 | -66.8 | -176.2 | 176.5 | -172.3 | 0 | 120.7 | ||||
| 749 | G | 26.5 | Very low | 27.4 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | 80.9 | 99.6 | 91.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 750 | S | 26.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -161.8 | 137.7 | 144 | 43.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 751 | L | 27 | Very low | 27.1 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | 53.7 | 133.5 | 68.8 | -90.2 | 81.8 | 0 | 0 | 0 | 113.5 | |||||
| 752 | S | 26.2 | Very low | 26.8 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -162.4 | -164.3 | -2.3 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 753 | T | 30.2 | Very low | 26.8 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | 74.7 | 145.3 | 178.7 | 78.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 754 | G | 26.1 | Very low | 26.5 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | 179.1 | 141.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 755 | G | 28.2 | Very low | 26.5 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 109.8 | 83.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 756 | S | 23.3 | Very low | 26.3 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | 50.3 | 96.1 | 54.8 | -168.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 757 | F | 25.3 | Very low | 26.2 | Very low | 192 Ų | 192 | 115.4 Ų | 115.4 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | trans | -163.6 | 119.3 | 135.7 | -102.1 | -64.5 | 0 | 0 | 0 | 110.4 | A759 | F757-A759 PolarHBondContact O-N 2.92Š| ||
| 758 | C | 25.3 | Very low | 26.3 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 116.2 | 153.6 | -66.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 759 | A | 28.6 | Very low | 26.4 | Very low | 76 Ų | 76 | 105.8 Ų | 105.8 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | trans | -127.4 | 95.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F757 A761 | F757-A759 PolarHBondContact O-N 2.92Å; A759-A761 PolarHBondContact O-N 3.43Å | ||
| 760 | P | 27.1 | Very low | 26.7 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 84.9 | 179.1 | 31.1 | -33.6 | 0 | 0 | 0 | 110.1 | ||||
| 761 | A | 24.7 | Very low | 26.9 | Very low | 72 Ų | 72 | 105.7 Ų | 105.7 | 60% | 0.595 | 66% | 0.659 | S | S | * | * | trans | -141.8 | 93.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A759 Q763 | A759-A761 PolarHBondContact O-N 3.43Å; A761-Q763 PolarHBondContact O-N 3.4Å | ||
| 762 | N | 24.5 | Very low | 26.9 | Very low | 104 Ų | 104 | 99.7 Ų | 99.7 | 56% | 0.556 | 63% | 0.627 | S | S | * | * | 54.3 | 61.9 | 122.4 | -59.3 | -12.7 | 0 | 0 | 0 | 119.1 | S952 | N762-S952 VanDerWaalsContact CG-CB 3.44Å; N762-S952 VanDerWaalsContact CG-OG 3.29Å; N762-S952 WeakPolarHBondContact ND2-CB 3.07Å; N762-S952 PolarHBondContact ND2-OG 2.95Å; N762-S952 WeakPolarHBondContact OD1-CB 3.49Å; N762-S952 PolarHBondContact OD1-OG 3.17Å; N762-S952 VanDerWaalsContact OD1-OG 3.05Å | |||
| 763 | Q | 27.2 | Very low | 27.1 | Very low | 181 Ų | 181 | 98 Ų | 98 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | trans | -86.6 | 132.5 | 146 | -65.4 | -166.7 | 8 | 0 | 0 | 109.4 | A761 L765 | A761-Q763 PolarHBondContact O-N 3.4Å; Q763-L765 PolarHBondContact O-N 3.3Å | ||
| 764 | S | 25.3 | Very low | 27.2 | Very low | 119 Ų | 119 | 95.3 Ų | 95.3 | 83% | 0.832 | 60% | 0.595 | S | S | * | * | trans | -75 | 95.5 | -167.8 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | S766 | S764-S766 PolarHBondContact O-N 3.17Š| ||
| 765 | L | 24.1 | Very low | 27.5 | Very low | 87 Ų | 87 | 92.1 Ų | 92.1 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | trans | -62.9 | 97 | 176.2 | -70.9 | 147.7 | 0 | 0 | 0 | 110.7 | Q763 I767 R955 | Q763-L765 PolarHBondContact O-N 3.3Å; L765-I767 PolarHBondContact O-N 2.91Å; L765-I767 VanDerWaalsContact O-N 3.1Å; L765-R955 HydrophobicContact CB-CB 3.91Å; L765-R955 HydrophobicContact CD1-CB 3.72Å; L765-R955 HydrophobicContact CD2-CB 4.11Å; L765-R955 HydrophobicContact CG-CB 4.12Å | ||
| 766 | S | 25.9 | Very low | 27.6 | Very low | 105 Ų | 105 | 91.2 Ų | 91.2 | 73% | 0.734 | 54% | 0.542 | S | S | * | . | trans | -68.9 | 97.8 | 163.9 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | S764 R955 | S764-S766 PolarHBondContact O-N 3.17Å; S766-R955 PolarHBondContact O-NH1 3.2Å | ||
| 767 | I | 26.6 | Very low | 27.9 | Very low | 52 Ų | 52 | 88.9 Ų | 88.9 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | trans | -65.9 | 143.3 | 161 | -55.8 | 179.1 | 0 | 0 | 0 | 106.7 | E346 L765 R955 | E346-I767 WeakPolarHBondContact OE2-CB 3.42Å; E346-I767 VanDerWaalsContact OE2-CG2 3.32Å; E346-I767 WeakPolarHBondContact OE2-CG2 3.4Å; L765-I767 PolarHBondContact O-N 2.91Å; L765-I767 VanDerWaalsContact O-N 3.1Å; I767-R955 HydrophobicContact CD1-CB 4.5Å; I767-R955 HydrophobicContact CD1-CG 3.96Å; I767-R955 HydrophobicContact CG1-CB 4.48Å; I767-R955 HydrophobicContact CG1-CG 3.85Å | ||
| 768 | S | 26.5 | Very low | 28.2 | Very low | 91 Ų | 91 | 81.5 Ų | 81.5 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | trans | -87.8 | 113.9 | 178.2 | -157.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 769 | T | 28.9 | Very low | 28.6 | Very low | 26 Ų | 26 | 77 Ų | 77 | 16% | 0.16 | 47% | 0.466 | C | S | . | . | trans | -54.1 | 149.6 | 142 | 57.4 | 0 | 0 | 0 | 0 | 107.4 | E310 E346 W347 K771 | E310-T769 WeakPolarHBondContact OE2-CB 3.49Å; E310-T769 PolarHBondContact OE2-OG1 3.08Å; E346-T769 HydrophobicContact CB-CG2 3.69Å; W347-T769 HydrophobicContact CB-CG2 4.16Å; W347-T769 HydrophobicContact CG-CG2 4.46Å; T769-K771 PolarHBondContact O-N 2.86Å | ||
| 770 | K | 33.5 | Very low | 28.7 | Very low | 82 Ų | 82 | 78.3 Ų | 78.3 | 36% | 0.357 | 46% | 0.462 | S | S | . | . | trans | -71.6 | 73 | 170.8 | -72.2 | -176.9 | -177.6 | 172 | 0 | 109.3 | I311 L772 | I311-K770 HydrophobicContact CD1-CB 4.45Å; K770-L772 PolarHBondContact O-N 3.15Å | ||
| 771 | K | 29.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 77.8 Ų | 77.8 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 124.4 | 160.7 | -67.9 | -171.6 | 175 | -87.5 | 0 | 106.3 | T308 E310 T769 C773 | T308-K771 PolarHBondContact OG1-NZ 2.91Å; T308-K771 VanDerWaalsContact OG1-NZ 3.15Å; E310-K771 WeakPolarHBondContact OE1-CE 3.46Å; E310-K771 IonicContact OE1-NZ 2.73Å; E310-K771 PolarHBondContact OE1-NZ 3.19Å; T769-K771 PolarHBondContact O-N 2.86Å; K771-C773 PolarHBondContact O-N 3.15Å |
| 772 | L | 28.6 | Very low | 29.2 | Very low | 37 Ų | 37 | 78.2 Ų | 78.2 | 19% | 0.194 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -48.1 | 132.4 | 175.2 | -101.1 | 156.3 | 0 | 0 | 0 | 110 | Y287 W309 K770 N774 I775 | Y287-L772 HydrophobicContact CD1-CD1 3.71Å; Y287-L772 HydrophobicContact CE1-CD1 3.57Å; Y287-L772 HydrophobicContact CE1-CD2 4.4Å; Y287-L772 HydrophobicContact CE1-CG 4.1Å; W309-L772 HydrophobicContact CB-CD1 3.73Å; W309-L772 HydrophobicContact CD2-CD1 4.06Å; W309-L772 HydrophobicContact CE3-CD1 3.46Å; W309-L772 VanDerWaalsContact CE3-CD1 3.46Å; W309-L772 HydrophobicContact CG-CD1 4.24Å; W309-L772 HydrophobicContact CZ3-CD1 4.36Å; K770-L772 PolarHBondContact O-N 3.15Å; L772-N774 PolarHBondContact O-N 3.19Å; L772-I775 HydrophobicContact CD2-CD1 3.85Å; L772-I775 HydrophobicContact CD2-CG1 3.96Å |
| 773 | C | 29.3 | Very low | 29.6 | Very low | 57 Ų | 57 | 78.4 Ų | 78.4 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 133.1 | 149.6 | -78 | 0 | 0 | 0 | 0 | 106.6 | K771 I775 | K771-C773 PolarHBondContact O-N 3.15Å; C773-I775 VanDerWaalsContact O-CG1 3.29Å; C773-I775 WeakPolarHBondContact O-CG1 3.33Å; C773-I775 PolarHBondContact O-N 2.87Å |
| 774 | N | 31.4 | Very low | 29.6 | Very low | 88 Ų | 88 | 72.9 Ų | 72.9 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | trans | -70.4 | 88.3 | 176.2 | -173.4 | -22.9 | 0 | 0 | 0 | 107.7 | L772 S776 A777 S778 | L772-N774 PolarHBondContact O-N 3.19Å; N774-S776 VanDerWaalsContact C-N 3.27Å; N774-S776 PolarHBondContact O-N 3.05Å; N774-S776 PolarHBondContact OD1-OG 3.39Å; N774-A777 HydrophobicContact CB-CB 3.83Å; N774-A777 PolarHBondContact O-N 3.02Å; N774-A777 VanDerWaalsContact O-N 3.14Å; N774-A777 WeakPolarHBondContact OD1-CB 3.37Å; N774-A777 PolarHBondContact OD1-N 2.75Å; N774-S778 PolarHBondContact O-OG 2.94Å | ||
| 775 | I | 32.5 | Very low | 29.8 | Very low | 12 Ų | 12 | 72.7 Ų | 72.7 | 6% | 0.062 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -65.3 | -41.2 | -173.3 | -19.4 | -175.4 | 0 | 0 | 0 | 108.7 | A186 F224 E225 L772 C773 A777 S778 Y779 | A186-I775 HydrophobicContact CB-CG2 3.83Å; F224-I775 HydrophobicContact CD1-CB 4.16Å; F224-I775 HydrophobicContact CD1-CG2 4.33Å; F224-I775 HydrophobicContact CE1-CB 3.8Å; F224-I775 HydrophobicContact CE1-CD1 4.41Å; F224-I775 HydrophobicContact CE1-CG2 3.54Å; F224-I775 HydrophobicContact CZ-CG2 4.13Å; E225-I775 WeakPolarHBondContact OE1-CB 3.45Å; E225-I775 VanDerWaalsContact OE2-CD1 3.3Å; E225-I775 WeakPolarHBondContact OE2-CD1 3.37Å; L772-I775 HydrophobicContact CD2-CD1 3.85Å; L772-I775 HydrophobicContact CD2-CG1 3.96Å; C773-I775 VanDerWaalsContact O-CG1 3.29Å; C773-I775 WeakPolarHBondContact O-CG1 3.33Å; C773-I775 PolarHBondContact O-N 2.87Å; I775-A777 PolarHBondContact O-N 3.48Å; I775-S778 CarbonylContact O-C 3.58Å; I775-S778 WeakPolarHBondContact O-CA 3.35Å; I775-S778 PolarHBondContact O-N 2.99Å; I775-S778 PolarHBondContact O-OG 2.98Å; I775-Y779 HydrophobicContact CG2-CE2 4.14Å; I775-Y779 VanDerWaalsContact O-CD2 3.32Å; I775-Y779 WeakPolarHBondContact O-CD2 3.34Å; I775-Y779 PolarHBondContact O-N 3.38Å |
| 776 | S | 30.7 | Very low | 30.1 | Very low | 54 Ų | 54 | 78.6 Ų | 78.6 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -49.3 | -45 | 168.2 | 4.9 | 0 | 0 | 0 | 0 | 113.8 | E225 N774 S778 Y779 | E225-S776 WeakPolarHBondContact OE1-CB 3.49Å; E225-S776 PolarHBondContact OE1-N 2.98Å; E225-S776 PolarHBondContact OE1-OG 3.08Å; N774-S776 VanDerWaalsContact C-N 3.27Å; N774-S776 PolarHBondContact O-N 3.05Å; N774-S776 PolarHBondContact OD1-OG 3.39Å; S776-S778 PolarHBondContact O-N 3.23Å; S776-S778 VanDerWaalsContact O-N 3.16Å; S776-Y779 PolarHBondContact O-N 3.14Å |
| 777 | A | 30.2 | Very low | 30.4 | Very low | 60 Ų | 60 | 77.2 Ų | 77.2 | 50% | 0.496 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -68.6 | -10.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N774 I775 | N774-A777 HydrophobicContact CB-CB 3.83Å; N774-A777 PolarHBondContact O-N 3.02Å; N774-A777 VanDerWaalsContact O-N 3.14Å; N774-A777 WeakPolarHBondContact OD1-CB 3.37Å; N774-A777 PolarHBondContact OD1-N 2.75Å; I775-A777 PolarHBondContact O-N 3.48Å |
| 778 | S | 31.3 | Very low | 30.8 | Very low | 38 Ų | 38 | 79.5 Ų | 79.5 | 27% | 0.266 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -110.6 | 17 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 113 | R190 N774 I775 S776 | R190-S778 VanDerWaalsContact NH2-C 3.3Å; R190-S778 PolarHBondContact NH2-O 3.44Å; R190-S778 PolarHBondContact NH2-OG 2.8Å; N774-S778 PolarHBondContact O-OG 2.94Å; I775-S778 CarbonylContact O-C 3.58Å; I775-S778 WeakPolarHBondContact O-CA 3.35Å; I775-S778 PolarHBondContact O-N 2.99Å; I775-S778 PolarHBondContact O-OG 2.98Å; S776-S778 PolarHBondContact O-N 3.23Å; S776-S778 VanDerWaalsContact O-N 3.16Å |
| 779 | Y | 34.9 | Very low | 30.8 | Very low | 36 Ų | 36 | 86.5 Ų | 86.5 | 14% | 0.141 | 48% | 0.477 | C | S | . | . | trans | -123 | 29.2 | 166.4 | -74.9 | -75.4 | 0 | 0 | 0 | 113.6 | A186 L189 F224 I775 S776 L781 | A186-Y779 WeakPolarHBondContact CA-OH 3.43Å; A186-Y779 HydrophobicContact CB-CE2 4.37Å; A186-Y779 PolarHBondContact O-OH 2.88Å; L189-Y779 HydrophobicContact CB-CE1 4.31Å; L189-Y779 WeakPolarHBondContact CB-OH 3.43Å; F224-Y779 AromaticContact CD1-CD2 3.98Å; F224-Y779 HydrophobicContact CD1-CD2 3.98Å; F224-Y779 HydrophobicContact CD1-CE2 4.14Å; F224-Y779 HydrophobicContact CD2-CD1 4.35Å; F224-Y779 AromaticContact CD2-CD2 3.47Å; F224-Y779 HydrophobicContact CD2-CD2 3.47Å; F224-Y779 VanDerWaalsContact CD2-CD2 3.47Å; F224-Y779 HydrophobicContact CD2-CE1 4.44Å; F224-Y779 AromaticContact CD2-CE2 3.58Å; F224-Y779 HydrophobicContact CD2-CE2 3.58Å; F224-Y779 AromaticContact CD2-CG 3.9Å; F224-Y779 HydrophobicContact CD2-CG 3.9Å; F224-Y779 HydrophobicContact CE1-CD2 4.01Å; F224-Y779 AromaticContact CE1-CE2 3.69Å; F224-Y779 HydrophobicContact CE1-CE2 3.69Å; F224-Y779 HydrophobicContact CE2-CD1 4.39Å; F224-Y779 AromaticContact CE2-CD2 3.5Å; F224-Y779 HydrophobicContact CE2-CD2 3.5Å; F224-Y779 HydrophobicContact CE2-CE1 4.03Å; F224-Y779 AromaticContact CE2-CE2 3.04Å; F224-Y779 HydrophobicContact CE2-CE2 3.04Å; F224-Y779 HydrophobicContact CE2-CG 4.16Å; F224-Y779 AromaticContact CE2-CZ 3.35Å; F224-Y779 AromaticContact CG-CD2 3.74Å; F224-Y779 HydrophobicContact CG-CD2 3.74Å; F224-Y779 HydrophobicContact CG-CE2 4.11Å; F224-Y779 HydrophobicContact CG-CG 4.36Å; F224-Y779 AromaticContact CZ-CD2 3.79Å; F224-Y779 HydrophobicContact CZ-CD2 3.79Å; F224-Y779 AromaticContact CZ-CE2 3.12Å; F224-Y779 HydrophobicContact CZ-CE2 3.12Å; F224-Y779 AromaticContact CZ-CZ 3.72Å; I775-Y779 HydrophobicContact CG2-CE2 4.14Å; I775-Y779 VanDerWaalsContact O-CD2 3.32Å; I775-Y779 WeakPolarHBondContact O-CD2 3.34Å; I775-Y779 PolarHBondContact O-N 3.38Å; S776-Y779 PolarHBondContact O-N 3.14Å; Y779-L781 PolarHBondContact O-N 2.65Å | ||
| 780 | L | 29 | Very low | 30.9 | Very low | 103 Ų | 103 | 88.2 Ų | 88.2 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | trans | -58 | 121.4 | 152.9 | -65.3 | -175.2 | 0 | 0 | 0 | 107.8 | Y797 | L780-Y797 HydrophobicContact CD2-CD1 4.5Å; L780-Y797 HydrophobicContact CD2-CE1 3.57Å; L780-Y797 WeakPolarHBondContact CD2-OH 3.42Å | ||
| 781 | L | 31.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 90 Ų | 90 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | trans | -57.2 | 139.6 | 172.4 | -66 | 165.3 | 0 | 0 | 0 | 108.6 | Y779 I783 | Y779-L781 PolarHBondContact O-N 2.65Å; L781-I783 VanDerWaalsContact O-CG1 3.27Å; L781-I783 WeakPolarHBondContact O-CG1 3.28Å; L781-I783 PolarHBondContact O-N 3.14Å | ||
| 782 | D | 32.2 | Very low | 30.5 | Very low | 81 Ų | 81 | 89.5 Ų | 89.5 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | trans | -55.8 | 114.6 | 157.3 | -74.3 | -56.8 | 0 | 0 | 0 | 106.3 | S149 S784 | S149-D782 WeakPolarHBondContact CB-OD2 3.44Å; S149-D782 PolarHBondContact N-OD2 2.83Å; S149-D782 PolarHBondContact OG-OD2 3.3Å; D782-S784 PolarHBondContact O-N 2.9Å | ||
| 783 | I | 32.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 90.9 Ų | 90.9 | 55% | 0.554 | 52% | 0.521 | S | S | * | . | trans | -79.3 | 73.6 | -166.7 | -49.7 | -176.4 | 0 | 0 | 0 | 110.5 | L781 C790 | L781-I783 VanDerWaalsContact O-CG1 3.27Å; L781-I783 WeakPolarHBondContact O-CG1 3.28Å; L781-I783 PolarHBondContact O-N 3.14Å; I783-C790 HydrophobicContact CG2-CB 3.63Å | ||
| 784 | S | 26.6 | Very low | 30.5 | Very low | 66 Ų | 66 | 93.7 Ų | 93.7 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | trans | 61 | 163.9 | 175.7 | -85.2 | 0 | 0 | 0 | 0 | 117.1 | D782 | D782-S784 PolarHBondContact O-N 2.9Š| ||
| 785 | P | 29.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 98 Ų | 98 | 74% | 0.74 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -59.4 | 161.5 | 154.7 | -17 | 31.6 | 0 | 0 | 0 | 110.8 | G787 | P785-G787 PolarHBondContact O-N 3.42Š|
| 786 | E | 31.4 | Very low | 30.4 | Very low | 212 Ų | 212 | 103.2 Ų | 103.2 | 99% | 0.991 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 99.7 | -175.1 | -64.7 | 169.5 | 115.5 | 0 | 0 | 112.5 | ||
| 787 | G | 33.2 | Very low | 30.4 | Very low | 76 Ų | 76 | 105.5 Ų | 105.5 | 78% | 0.784 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.6 | -31 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | P785 R789 | P785-G787 PolarHBondContact O-N 3.42Å; G787-R789 PolarHBondContact O-N 3.35Å |
| 788 | V | 33.6 | Very low | 30.1 | Very low | 99 Ų | 99 | 108.3 Ų | 108.3 | 60% | 0.6 | 59% | 0.592 | S | S | * | * | trans | -93.1 | 104.9 | -173.2 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | C790 | V788-C790 PolarHBondContact O-N 3.14Š| ||
| 789 | R | 26.8 | Very low | 29.9 | Very low | 239 Ų | 239 | 111.6 Ų | 111.6 | 90% | 0.902 | 61% | 0.611 | S | S | * | * | trans | -74.9 | 102.3 | 178.3 | -168.9 | -178.6 | -166.5 | 173.2 | 5.2 | 111.2 | G787 | G787-R789 PolarHBondContact O-N 3.35Š| ||
| 790 | C | 30.6 | Very low | 29.4 | Very low | 62 Ų | 62 | 113.4 Ų | 113.4 | 42% | 0.419 | 63% | 0.625 | S | S | . | * | trans | -61.1 | 141.7 | 170.5 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | I783 V788 L792 | I783-C790 HydrophobicContact CG2-CB 3.63Å; V788-C790 PolarHBondContact O-N 3.14Å; C790-L792 VanDerWaalsContact C-N 3.27Å; C790-L792 PolarHBondContact O-N 3.15Å | ||
| 791 | P | 28 | Very low | 29.2 | Very low | 120 Ų | 120 | 113 Ų | 113 | 78% | 0.779 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -69.2 | -22.5 | -176.6 | -22.3 | 34.6 | 0 | 0 | 0 | 114.7 | ||
| 792 | L | 27.4 | Very low | 28.9 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 52% | 0.518 | 64% | 0.641 | S | S | . | * | trans | -92.4 | 130.2 | -172.4 | -56.3 | 176.7 | 0 | 0 | 0 | 110.8 | C790 E796 | C790-L792 VanDerWaalsContact C-N 3.27Å; C790-L792 PolarHBondContact O-N 3.15Å; L792-E796 VanDerWaalsContact CA-OE2 3.3Å; L792-E796 WeakPolarHBondContact CA-OE2 3.34Å | ||
| 793 | T | 27.5 | Very low | 28.6 | Very low | 66 Ų | 66 | 116.3 Ų | 116.3 | 41% | 0.405 | 66% | 0.655 | S | S | . | * | trans | -85.5 | 156.9 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | E795 E796 | T793-E795 PolarHBondContact O-N 3.45Å; T793-E796 PolarHBondContact N-OE2 3.47Å; T793-E796 PolarHBondContact O-N 2.78Å; T793-E796 VanDerWaalsContact O-N 3.08Å | ||
| 794 | P | 31.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -10.9 | 173.9 | -26 | 36 | 0 | 0 | 0 | 115.1 | ||
| 795 | E | 30.5 | Very low | 28.3 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -13.3 | -179.8 | -58 | -178.7 | 145.1 | 0 | 0 | 113 | T793 Y797 | T793-E795 PolarHBondContact O-N 3.45Å; E795-Y797 VanDerWaalsContact C-N 3.33Å |
| 796 | E | 31.1 | Very low | 28.1 | Very low | 122 Ų | 122 | 125 Ų | 125 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -87.3 | 0.9 | 179.1 | -70.5 | 175.9 | 121.5 | 0 | 0 | 113.6 | L792 T793 | L792-E796 VanDerWaalsContact CA-OE2 3.3Å; L792-E796 WeakPolarHBondContact CA-OE2 3.34Å; T793-E796 PolarHBondContact N-OE2 3.47Å; T793-E796 PolarHBondContact O-N 2.78Å; T793-E796 VanDerWaalsContact O-N 3.08Å |
| 797 | Y | 29.7 | Very low | 27.7 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 40% | 0.396 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -82.2 | 122 | 171 | -66.5 | -76.2 | 0 | 0 | 0 | 111.1 | L780 E795 V799 | L780-Y797 HydrophobicContact CD2-CD1 4.5Å; L780-Y797 HydrophobicContact CD2-CE1 3.57Å; L780-Y797 WeakPolarHBondContact CD2-OH 3.42Å; E795-Y797 VanDerWaalsContact C-N 3.33Å; Y797-V799 PolarHBondContact O-N 3.23Å |
| 798 | T | 24.4 | Very low | 27.4 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | trans | -71.6 | 67.3 | 166.5 | -12.1 | 0 | 0 | 0 | 0 | 110.3 | V800 | T798-V800 PolarHBondContact O-N 2.9Š| ||
| 799 | V | 26 | Very low | 27.1 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | trans | -62.5 | 118.9 | -177.2 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | Y797 S801 | Y797-V799 PolarHBondContact O-N 3.23Å; V799-S801 PolarHBondContact O-N 2.89Å | ||
| 800 | V | 24.8 | Very low | 27.1 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 44% | 0.442 | 67% | 0.67 | S | S | . | * | trans | -72 | 80.9 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | S306 T798 L802 | S306-V800 VanDerWaalsContact CB-CG2 3.5Å; S306-V800 WeakPolarHBondContact OG-CG1 3.49Å; T798-V800 PolarHBondContact O-N 2.9Å; V800-L802 PolarHBondContact O-N 2.84Å | ||
| 801 | S | 25 | Very low | 26.8 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | trans | -68.6 | 110.7 | 177.2 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | V799 | V799-S801 PolarHBondContact O-N 2.89Š| ||
| 802 | L | 24.9 | Very low | 26.9 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | -57.6 | 131.8 | 161.9 | -71.6 | 172.6 | 0 | 0 | 0 | 108.5 | V800 K804 | V800-L802 PolarHBondContact O-N 2.84Å; L802-K804 PolarHBondContact O-N 3.09Å | ||
| 803 | P | 26.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 71% | 0.705 | S | S | * | * | trans | -64.7 | 133.8 | -177.4 | 25.9 | -33.8 | 0 | 0 | 0 | 110.4 | L805 | P803-L805 PolarHBondContact O-N 2.85Å; P803-L805 VanDerWaalsContact O-N 3.09Å | ||
| 804 | K | 26.3 | Very low | 27.2 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | -57.7 | 115.5 | 172.7 | -73.7 | -175.1 | 176.3 | -178.6 | 0 | 109.4 | L802 S806 | L802-K804 PolarHBondContact O-N 3.09Å; K804-S806 PolarHBondContact O-N 2.78Å | ||
| 805 | L | 26.2 | Very low | 27 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | trans | -71.9 | 81.8 | 165.3 | -79.9 | 170.1 | 0 | 0 | 0 | 109.3 | P803 T807 | P803-L805 PolarHBondContact O-N 2.85Å; P803-L805 VanDerWaalsContact O-N 3.09Å; L805-T807 PolarHBondContact O-N 3.02Å | ||
| 806 | S | 25 | Very low | 27 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -72 | 114.4 | 171 | -178 | 0 | 0 | 0 | 0 | 109.7 | K804 Q808 | K804-S806 PolarHBondContact O-N 2.78Å; S806-Q808 PolarHBondContact O-N 3.25Å; S806-Q808 VanDerWaalsContact O-N 3.1Å | ||
| 807 | T | 23.8 | Very low | 27 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -83 | 72.2 | -178.6 | 35.1 | 0 | 0 | 0 | 0 | 112.3 | L805 | L805-T807 PolarHBondContact O-N 3.02Š| ||
| 808 | Q | 25.8 | Very low | 27.1 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -159.6 | 117.6 | 158.7 | -115.1 | 173 | 24.3 | 0 | 0 | 113 | S806 | S806-Q808 PolarHBondContact O-N 3.25Å; S806-Q808 VanDerWaalsContact O-N 3.1Å | ||
| 809 | V | 26.8 | Very low | 27.3 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -135.9 | 99.2 | 157.7 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | L811 | V809-L811 PolarHBondContact O-N 3.49Š| ||
| 810 | T | 27.3 | Very low | 27.6 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 51% | 0.509 | 78% | 0.781 | S | S | . | * | trans | -76.4 | 115 | -172.1 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | K812 | T810-K812 HydrophobicContact CG2-CG 4.19Å; T810-K812 PolarHBondContact O-N 3.35Å | ||
| 811 | L | 24.1 | Very low | 27.7 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 88.2 | 173.1 | -69 | 175.7 | 0 | 0 | 0 | 111.4 | V809 | V809-L811 PolarHBondContact O-N 3.49Š| ||
| 812 | K | 31.6 | Very low | 28 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -96.2 | 97.3 | 168.8 | -82.9 | 177 | 178.8 | 166.5 | 0 | 111 | T810 | T810-K812 HydrophobicContact CG2-CG 4.19Å; T810-K812 PolarHBondContact O-N 3.35Å | ||
| 813 | G | 27.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 151.2 Ų | 151.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -71.5 | 145.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 814 | K | 31.9 | Very low | 28.5 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -131.6 | 116.5 | 158.2 | -83.2 | -168.8 | 174 | -178.6 | 0 | 109.8 | ||||
| 815 | T | 28.3 | Very low | 28.9 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -74 | 144.9 | 170.2 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 816 | R | 31 | Very low | 29.2 | Very low | 251 Ų | 251 | 151.5 Ų | 151.5 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | trans | -149 | 139 | 146.9 | -124.1 | 176.8 | -175.8 | -172.2 | 0.2 | 111.2 | ||||
| 817 | R | 30.9 | Very low | 29.4 | Very low | 252 Ų | 252 | 155.7 Ų | 155.7 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | trans | -82.5 | 160 | -177.8 | -63.7 | 172.5 | 173.4 | 166.8 | -4 | 111 | ||||
| 818 | G | 31.2 | Very low | 29.9 | Very low | 68 Ų | 68 | 156.4 Ų | 156.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 163 | 41.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 819 | S | 28.1 | Very low | 30.3 | Very low | 106 Ų | 106 | 156.9 Ų | 156.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | 62.9 | 96.3 | 93.3 | 73 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 820 | K | 31.7 | Very low | 30.5 | Very low | 190 Ų | 190 | 156.8 Ų | 156.8 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 170 | 111.2 | 144 | -94.4 | 159 | -175 | -177.1 | 0 | 107.4 | ||||
| 821 | Q | 28.4 | Very low | 30.7 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 91.9 | 153.2 | 74.2 | -94 | -171.8 | -21.6 | 0 | 0 | 113.1 | |||||
| 822 | L | 31.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 159.6 Ų | 159.6 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 71.1 | 103.9 | -174 | -57.7 | 154.1 | 0 | 0 | 0 | 112.7 | ||||
| 823 | T | 28.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 161.1 Ų | 161.1 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | 66.3 | 107.3 | 25.9 | 80.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 824 | T | 33.7 | Very low | 31.5 | Very low | 113 Ų | 113 | 166.9 Ų | 166.9 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | 170.3 | 139.8 | 104 | 34.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 825 | K | 33.4 | Very low | 31.6 | Very low | 162 Ų | 162 | 165.9 Ų | 165.9 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | trans | 60.2 | 160.1 | 146.8 | -61.6 | 165.8 | -174.1 | 170 | 0 | 118.2 | ||||
| 826 | R | 32.7 | Very low | 32 | Very low | 205 Ų | 205 | 165.8 Ų | 165.8 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | cis | -155.6 | 135.6 | -26.5 | -100.4 | 165.1 | -176.8 | 176.3 | -3.1 | 103.9 | ||||
| 827 | K | 30.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | 51.7 | 141.6 | 86.6 | -118 | -169.8 | -176.5 | -171.2 | 0 | 114.5 | |||||
| 828 | I | 34.1 | Very low | 32.3 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 86.6 | 133.4 | -176.2 | -53.7 | 163.2 | 0 | 0 | 0 | 111 | ||||
| 829 | D | 34.5 | Very low | 32.4 | Very low | 154 Ų | 154 | 159.2 Ų | 159.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | cis | -132 | -177.7 | 9.6 | -136.6 | -29.3 | 0 | 0 | 0 | 115.4 | ||||
| 830 | N | 29.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 161.2 Ų | 161.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -135.7 | 168.2 | -176.3 | -160.8 | 1.1 | 0 | 0 | 0 | 111.9 | ||||
| 831 | Q | 32.5 | Very low | 32.7 | Very low | 170 Ų | 170 | 156.9 Ų | 156.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 75.7 | 171.2 | 172 | -48.8 | -172.1 | 3.6 | 0 | 0 | 119.6 | ||||
| 832 | I | 32.9 | Very low | 33 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 67.2 | 82 | 168.5 | -37.1 | -176.6 | 0 | 0 | 0 | 118.2 | ||||
| 833 | K | 35 | Very low | 33 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | -166.8 | 107.5 | 114.9 | -107.1 | 167.8 | -176.5 | 177 | 0 | 113.6 | |||||
| 834 | K | 32.4 | Very low | 33.2 | Very low | 196 Ų | 196 | 152.9 Ų | 152.9 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -123.1 | 162 | 155.9 | -114.4 | -174.8 | 178.5 | -177.5 | 0 | 106.5 | ||||
| 835 | Q | 34 | Very low | 33.1 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | 65.7 | 107.9 | 175.9 | -63.4 | 169.6 | -45.3 | 0 | 0 | 116.7 | ||||
| 836 | V | 35.3 | Very low | 33.1 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | -177.6 | 103.5 | 113.5 | 160.2 | 0 | 0 | 0 | 0 | 102.7 | |||||
| 837 | L | 33.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 80.8 | 117.5 | 52.3 | -166.5 | 82.5 | 0 | 0 | 0 | 112.6 | |||||
| 838 | H | 35.3 | Very low | 33 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | 67.9 | 149.1 | 164.2 | -90.5 | -127.1 | 0 | 0 | 0 | 116.6 | ||||
| 839 | E | 34.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | cis | -160.2 | 174.1 | -5.9 | -149.7 | 170.8 | 169.1 | 0 | 0 | 111.3 | ||||
| 840 | L | 33.9 | Very low | 32.3 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 68 | 162.1 | 160 | -58.2 | 163.1 | 0 | 0 | 0 | 119.5 | ||||
| 841 | D | 32.7 | Very low | 32.3 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 53% | 0.529 | 76% | 0.755 | S | S | . | * | -168.4 | 138.2 | -53 | -155.5 | -9.2 | 0 | 0 | 0 | 109.3 | |||||
| 842 | K | 33.7 | Very low | 32 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | 58.2 | 163.5 | 166 | -72.2 | 140.5 | -163.6 | 159.2 | 0 | 116.8 | ||||
| 843 | S | 32.4 | Very low | 31.7 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -158.1 | 171.8 | -17.6 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 844 | S | 32.7 | Very low | 31.3 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | 64.2 | 125.5 | 143.8 | 59.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 845 | S | 31.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | 61.9 | 148.7 | 139.6 | 52.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 846 | S | 32.3 | Very low | 31 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | cis | -164.6 | 158.3 | -12.5 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 847 | T | 29.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 31.4 | 126.5 | 150.6 | 53 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 848 | K | 31.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | trans | 80.3 | 105.4 | 135.4 | -70.5 | 178.2 | 177.5 | -178.4 | 0 | 120.4 | ||||
| 849 | T | 27.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | 50.8 | 121.5 | 115.2 | -30 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 850 | I | 27.2 | Very low | 30.5 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | 176.6 | 153.3 | 114.1 | -92.5 | 167.6 | 0 | 0 | 0 | 111.6 | |||||
| 851 | L | 28.8 | Very low | 30.5 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | 73.6 | 171.6 | 165.9 | -86.4 | 163.7 | 0 | 0 | 0 | 120.4 | ||||
| 852 | T | 26.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | -139.7 | 179.5 | -145.9 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 853 | S | 26.2 | Very low | 30.6 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 70.6 | 112.5 | 152 | 45.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 854 | S | 27.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | 68.4 | 118.3 | 128.8 | -51.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 855 | L | 31.2 | Very low | 30.1 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | -167.6 | 114.8 | 121.8 | -116 | 69.6 | 0 | 0 | 0 | 105 | |||||
| 856 | E | 28.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | 77.1 | 155.9 | 78.2 | -71.7 | -158.7 | 158.4 | 0 | 0 | 116 | |||||
| 857 | S | 32.9 | Very low | 30 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 76.1 | 146.4 | 178.4 | 84.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 858 | N | 30.5 | Very low | 30 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -164.3 | 152.7 | -25 | -110.9 | -20.4 | 0 | 0 | 0 | 113 | ||||
| 859 | N | 30.2 | Very low | 29.7 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 67 | 159.7 | 146.3 | -63.6 | -20.6 | 0 | 0 | 0 | 123.5 | ||||
| 860 | S | 34.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 79.4 | 111.5 | 176.5 | 66.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 861 | S | 33.5 | Very low | 29.7 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | 79.7 | 133.4 | 51.6 | 80.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 862 | D | 31.2 | Very low | 29.7 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | cis | -166.2 | -166.6 | 1.7 | -156.9 | -11.4 | 0 | 0 | 0 | 109.4 | ||||
| 863 | V | 36.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 87.8 | 110.4 | 158.7 | -162.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 864 | D | 28.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -47.1 | 160.6 | 165.5 | -71.1 | -72.4 | 0 | 0 | 0 | 117.2 | ||||
| 865 | Y | 27.3 | Very low | 30.1 | Very low | 221 Ų | 221 | 149.3 Ų | 149.3 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | -165.1 | 109.7 | 113.9 | -117.2 | -79.5 | 0 | 0 | 0 | 112.3 | |||||
| 866 | Q | 31.9 | Very low | 30 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -95.4 | 156.9 | 151.6 | -71.3 | -164.8 | -5.1 | 0 | 0 | 109.1 | ||||
| 867 | P | 29.4 | Very low | 30.1 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -152.3 | -173.7 | 102.7 | 43.5 | -26.2 | 0 | 0 | 0 | 112.6 | |||||
| 868 | L | 29.5 | Very low | 30 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | cis | -135 | 154.8 | 6.3 | -85.7 | 171.7 | 0 | 0 | 0 | 110.6 | ||||
| 869 | R | 24.9 | Very low | 30.2 | Very low | 215 Ų | 215 | 146.7 Ų | 146.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -96.7 | 152.1 | 157.7 | -74.3 | 175.3 | 168.3 | 155.5 | -6.5 | 110.2 | ||||
| 870 | V | 29 | Very low | 30.3 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -125.6 | 140.6 | 152.5 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 871 | R | 25 | Very low | 30.2 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -112.7 | 152.9 | -178.1 | -69.2 | 177.3 | 168.4 | 120.8 | -13.3 | 110.7 | ||||
| 872 | L | 30.2 | Very low | 30.2 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -163.3 | 141.6 | 144.1 | -126.6 | 68.3 | 0 | 0 | 0 | 106 | ||||
| 873 | N | 27.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | cis | 157.2 | 144.7 | -30 | -96.6 | 2.1 | 0 | 0 | 0 | 104.9 | ||||
| 874 | S | 27.8 | Very low | 30 | Very low | 101 Ų | 101 | 153.4 Ų | 153.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 148.4 | -177.4 | 71.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 875 | F | 31.5 | Very low | 30 | Very low | 190 Ų | 190 | 158 Ų | 158 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | cis | -121.9 | 171.1 | 16.2 | -89 | -98.1 | 0 | 0 | 0 | 115.3 | ||||
| 876 | N | 29.5 | Very low | 30.3 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -81.5 | -177.5 | 174.3 | -42.3 | -58.3 | 0 | 0 | 0 | 110.7 | ||||
| 877 | S | 31.2 | Very low | 30.3 | Very low | 92 Ų | 92 | 153.6 Ų | 153.6 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -166.6 | 153.4 | 12.5 | 43.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 878 | T | 31 | Very low | 30.3 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 56.3 | 135.3 | 149.7 | 50.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 879 | E | 33.8 | Very low | 30.3 | Very low | 153 Ų | 153 | 156 Ų | 156 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -142.2 | 148 | 31.2 | -81 | -152.3 | 100.2 | 0 | 0 | 111.5 | ||||
| 880 | R | 32.7 | Very low | 30.7 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | 49.5 | 141.3 | 82.3 | -62.1 | 175.2 | 176.3 | 173.9 | 1.2 | 113.8 | |||||
| 881 | R | 33.6 | Very low | 31 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -173.3 | 154.2 | -0.7 | -98.7 | 163 | -177.5 | 171.4 | -3.2 | 105.1 | ||||
| 882 | R | 32 | Very low | 31.2 | Very low | 222 Ų | 222 | 149.5 Ų | 149.5 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | cis | -144.1 | -160.7 | -2.3 | -92.3 | 169.8 | 168.6 | 164.9 | -4.8 | 105.3 | ||||
| 883 | S | 32.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -146.5 | 144.6 | 9.9 | -65.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 884 | A | 32 | Very low | 31.5 | Very low | 83 Ų | 83 | 150 Ų | 150 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | 64.6 | 130.4 | 55.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 885 | R | 28.6 | Very low | 31.7 | Very low | 235 Ų | 235 | 152.8 Ų | 152.8 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | cis | -168.6 | 157.8 | 1.5 | -108.3 | 168.8 | -175 | 171.1 | -2.4 | 109.6 | ||||
| 886 | L | 32.6 | Very low | 31.6 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | 167.1 | 100.2 | 143.3 | -91.8 | 171.1 | 0 | 0 | 0 | 108 | ||||
| 887 | L | 32.9 | Very low | 31.7 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | 63.8 | 108.9 | 95.1 | -64.2 | -174.3 | 0 | 0 | 0 | 114 | |||||
| 888 | N | 29 | Very low | 31.6 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | cis | 83.2 | 118.3 | 41.8 | -97.3 | -25 | 0 | 0 | 0 | 117.9 | ||||
| 889 | K | 29.5 | Very low | 31.6 | Very low | 178 Ų | 178 | 153 Ų | 153 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | 63.3 | 113.9 | 143.7 | -64.6 | -175.4 | 174.5 | -169.5 | 0 | 122.2 | ||||
| 890 | S | 33 | Very low | 31.5 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | 176.6 | 166 | 119.2 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 891 | Q | 35 | Very low | 31.3 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 167.4 | 106.3 | -54.9 | 176.2 | 169.7 | -5 | 0 | 0 | 108.4 | |||||
| 892 | N | 29.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 160.8 | 158.2 | -62.8 | 16.9 | 0 | 0 | 0 | 121.5 | ||||
| 893 | N | 33.5 | Very low | 31.2 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 77.6 | 139 | 174.4 | -53 | -5.2 | 0 | 0 | 0 | 115.9 | ||||
| 894 | L | 31.3 | Very low | 31.1 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | 151.2 | 150.9 | -25.5 | 177.9 | 65.4 | 0 | 0 | 0 | 106.6 | ||||
| 895 | E | 32.3 | Very low | 31.2 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 67.7 | 123.6 | -177.9 | -73.9 | 141.8 | -134.3 | 0 | 0 | 115.3 | ||||
| 896 | T | 28.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | cis | 92.7 | 149.4 | 38.4 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 897 | I | 32.4 | Very low | 31.3 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 88.7 | 89.4 | -169.5 | -54.4 | 166.5 | 0 | 0 | 0 | 111.6 | ||||
| 898 | T | 29 | Very low | 31.3 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 75.2 | 118.8 | 66.4 | 67.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 899 | Q | 30.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | 79.9 | 148.8 | 140.3 | -88.6 | -176 | -6.8 | 0 | 0 | 121.9 | ||||
| 900 | L | 31.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 71.5 | 145.2 | 160.3 | -62.9 | 158 | 0 | 0 | 0 | 118.1 | ||||
| 901 | D | 28.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | cis | -168.8 | -177.9 | -27.7 | -149.4 | -16.2 | 0 | 0 | 0 | 110.9 | ||||
| 902 | I | 35.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | 71.4 | 96.7 | 147.7 | -68.9 | 159.2 | 0 | 0 | 0 | 119.3 | ||||
| 903 | N | 28.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 56.9 | 147.8 | 118.3 | -53.7 | -36.7 | 0 | 0 | 0 | 124.9 | |||||
| 904 | S | 29.2 | Very low | 31.5 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | 77.7 | 152.9 | 151.2 | -105.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 905 | S | 34.4 | Very low | 31.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -145.6 | 162.3 | 4.3 | 54 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 906 | Q | 30.1 | Very low | 31.4 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -60.2 | 161.1 | 179.3 | -54.2 | 165.3 | -6.8 | 0 | 0 | 115.4 | ||||
| 907 | L | 34.1 | Very low | 31.6 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -157.5 | 108.1 | 144 | -108.9 | 163.5 | 0 | 0 | 0 | 113 | ||||
| 908 | K | 31.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 42.1 | 123.4 | 141.1 | -68.1 | -179 | -173.7 | -177.6 | 0 | 120.8 | ||||
| 909 | S | 32.2 | Very low | 31.7 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | 83 | 146 | 65.6 | 91.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 910 | D | 30.5 | Very low | 31.6 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | -149.4 | -167.4 | 16.1 | -87.4 | -61.9 | 0 | 0 | 0 | 112.5 | ||||
| 911 | I | 34.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | 85.5 | 93.3 | 165.8 | -48.9 | 176 | 0 | 0 | 0 | 115 | ||||
| 912 | V | 33 | Very low | 31.4 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | 72.5 | 93.6 | 71.3 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 913 | S | 28.6 | Very low | 31 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 88.3 | 154.5 | 75.2 | -73.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 914 | P | 35.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | -139.1 | -162.1 | -22.7 | 38 | -17.1 | 0 | 0 | 0 | 114.4 | ||||
| 915 | N | 30.9 | Very low | 31 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 85.6 | 114.1 | 164 | -58.3 | -17.6 | 0 | 0 | 0 | 117.5 | ||||
| 916 | L | 30 | Very low | 30.9 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | 81.3 | 119.5 | 78.4 | -126.3 | 70.6 | 0 | 0 | 0 | 110.9 | |||||
| 917 | S | 33.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | cis | -132.4 | 171.6 | 43.1 | 53.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 918 | Q | 31.3 | Very low | 30.7 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -128.7 | 136.7 | 178.9 | -70.6 | -175.3 | -4.6 | 0 | 0 | 112.7 | ||||
| 919 | T | 31.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -158.5 | 103.7 | 145.4 | 11.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 920 | R | 27.9 | Very low | 30.8 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | 55.2 | 124.9 | 83.8 | -59.8 | -178.4 | -170.9 | -158.4 | 2.9 | 111.2 | |||||
| 921 | L | 30.2 | Very low | 30.9 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | cis | -120.4 | 134.6 | 32.7 | -72.4 | 156.6 | 0 | 0 | 0 | 115.2 | ||||
| 922 | S | 25.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -129.8 | 165.8 | 146.4 | 55.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 923 | S | 27.4 | Very low | 31.1 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | trans | 52.1 | 92.6 | -171.8 | 64.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 924 | I | 31 | Very low | 31.5 | Very low | 138 Ų | 138 | 125 Ų | 125 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | trans | -115 | 118.4 | 135.7 | -62.8 | 177.4 | 0 | 0 | 0 | 105 | ||||
| 925 | S | 26.4 | Very low | 31.5 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -136.9 | 36.2 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 926 | D | 32.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | trans | -113.8 | 102.6 | -167.7 | -64.2 | -75.1 | 0 | 0 | 0 | 111.2 | L928 | D926-L928 PolarHBondContact O-N 2.66Š| ||
| 927 | T | 27.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 120 Ų | 120 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | 40.3 | 78 | 148.9 | 58.9 | 0 | 0 | 0 | 0 | 117.9 | T929 | T927-T929 PolarHBondContact O-N 2.95Š| ||
| 928 | L | 32.2 | Very low | 31.7 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -69.5 | 117.7 | 152.3 | -82.5 | 172.4 | 0 | 0 | 0 | 109.4 | D926 V930 | D926-L928 PolarHBondContact O-N 2.66Å; L928-V930 PolarHBondContact O-N 3.03Å | ||
| 929 | T | 31.7 | Very low | 31.7 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | trans | -72.1 | 106.9 | 179.5 | 32.9 | 0 | 0 | 0 | 0 | 111.2 | T927 T931 | T927-T929 PolarHBondContact O-N 2.95Å; T929-T931 PolarHBondContact O-N 2.93Å; T929-T931 PolarHBondContact O-OG1 3.47Å | ||
| 930 | V | 34.3 | Very low | 31.6 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 63% | 0.63 | 66% | 0.661 | S | S | * | * | trans | -56.2 | 102.5 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | L928 P932 | L928-V930 PolarHBondContact O-N 3.03Å; V930-P932 VanDerWaalsContact O-CD 3.24Å; V930-P932 WeakPolarHBondContact O-CD 2.95Å | ||
| 931 | T | 34.2 | Very low | 31.6 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | trans | -109.6 | 88.1 | -177 | 25.4 | 0 | 0 | 0 | 0 | 107.8 | T929 I933 | T929-T931 PolarHBondContact O-N 2.93Å; T929-T931 PolarHBondContact O-OG1 3.47Å; T931-I933 PolarHBondContact O-N 3.44Å | ||
| 932 | P | 34.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 62% | 0.617 | 67% | 0.668 | S | S | * | * | trans | -61.8 | 122.3 | -178.9 | 25.6 | -33.9 | 0 | 0 | 0 | 109.5 | V930 N934 | V930-P932 VanDerWaalsContact O-CD 3.24Å; V930-P932 WeakPolarHBondContact O-CD 2.95Å; P932-N934 PolarHBondContact O-N 3.27Å | ||
| 933 | I | 37.5 | Very low | 31.9 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 39% | 0.385 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.3 | 95.7 | 178.7 | -58.8 | 179.3 | 0 | 0 | 0 | 107.6 | T931 I935 | T931-I933 PolarHBondContact O-N 3.44Å; I933-I935 HydrophobicContact CG2-CG1 4.45Å; I933-I935 PolarHBondContact O-N 3.46Å |
| 934 | N | 36.1 | Very low | 31.8 | Very low | 126 Ų | 126 | 119 Ų | 119 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 87.1 | 177 | -167.3 | -54.3 | 0 | 0 | 0 | 109.2 | P932 H936 | P932-N934 PolarHBondContact O-N 3.27Å; N934-H936 PolarHBondContact O-N 2.93Å |
| 935 | I | 35.7 | Very low | 31.7 | Very low | 51 Ų | 51 | 122.8 Ų | 122.8 | 26% | 0.262 | 68% | 0.677 | S | S | . | * | trans | -57.4 | 126.6 | 175.1 | -56.5 | 174.3 | 0 | 0 | 0 | 107.4 | L319 I933 K937 | L319-I935 HydrophobicContact CB-CD1 4.13Å; I933-I935 HydrophobicContact CG2-CG1 4.45Å; I933-I935 PolarHBondContact O-N 3.46Å; I935-K937 VanDerWaalsContact C-N 3.31Å; I935-K937 PolarHBondContact O-N 2.88Å | ||
| 936 | H | 33 | Very low | 32 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -70.9 | 76 | -167.4 | -97.1 | 7.1 | 0 | 0 | 0 | 114.2 | N934 | N934-H936 PolarHBondContact O-N 2.93Š|
| 937 | K | 37 | Very low | 31.7 | Very low | 88 Ų | 88 | 131 Ų | 131 | 38% | 0.383 | 69% | 0.693 | S | S | . | * | trans | -130 | 103.3 | 167.1 | -71.7 | -179.7 | -178.7 | 172 | 0 | 109.9 | E317 I935 I939 | E317-K937 PolarHBondContact O-NZ 3.44Å; I935-K937 VanDerWaalsContact C-N 3.31Å; I935-K937 PolarHBondContact O-N 2.88Å; K937-I939 PolarHBondContact O-N 3.27Å; K937-I939 VanDerWaalsContact O-N 3.11Å | ||
| 938 | I | 27.5 | Very low | 31.8 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -79.3 | 95.6 | -179.1 | -58.3 | 167.6 | 0 | 0 | 0 | 109.8 | ||||
| 939 | I | 32.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | trans | -128.6 | 118.9 | 167.4 | -56.5 | -178 | 0 | 0 | 0 | 108.8 | K937 I972 | K937-I939 PolarHBondContact O-N 3.27Å; K937-I939 VanDerWaalsContact O-N 3.11Å; I939-I972 HydrophobicContact CD1-CD1 4.46Å | ||
| 940 | K | 28.1 | Very low | 31.4 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | trans | -80.2 | 137.2 | 170.4 | -68.8 | -178.4 | 177.9 | -179.8 | 0 | 109 | V942 | K940-V942 PolarHBondContact O-N 3.28Å; K940-V942 VanDerWaalsContact O-N 3.1Å | ||
| 941 | P | 29.1 | Very low | 31.1 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -66.3 | 112 | 178.4 | 26.4 | -33.7 | 0 | 0 | 0 | 110.6 | S943 | P941-S943 PolarHBondContact O-N 3.06Å; P941-S943 VanDerWaalsContact O-N 3.15Å | ||
| 942 | V | 32.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 72% | 0.715 | S | S | * | * | trans | -79.4 | 98.4 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | K940 | K940-V942 PolarHBondContact O-N 3.28Å; K940-V942 VanDerWaalsContact O-N 3.1Å | ||
| 943 | S | 28.2 | Very low | 30.9 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | -67.7 | 152.6 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | P941 | P941-S943 PolarHBondContact O-N 3.06Å; P941-S943 VanDerWaalsContact O-N 3.15Å | ||
| 944 | T | 26.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 71.8 | 105.6 | 168.9 | 73.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 945 | F | 29.9 | Very low | 30.9 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 95% | 0.952 | 68% | 0.679 | S | S | * | * | trans | -132.2 | 145.5 | 133.8 | -107.3 | -83.4 | 0 | 0 | 0 | 109.9 | ||||
| 946 | K | 31.8 | Very low | 31 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 69% | 0.69 | S | S | * | * | trans | -86.2 | 149.2 | -163.5 | -67.7 | 176.4 | -179.9 | 174.1 | 0 | 112.7 | K948 | K946-K948 PolarHBondContact O-N 2.88Š| ||
| 947 | K | 26.4 | Very low | 31.5 | Very low | 215 Ų | 215 | 134.3 Ų | 134.3 | 94% | 0.935 | 67% | 0.67 | S | S | * | * | trans | -48.5 | 116.5 | 174.7 | -65.3 | 174.9 | 178.8 | 175.5 | 0 | 111.9 | ||||
| 948 | K | 30 | Very low | 31.9 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | trans | -127.9 | 125.8 | 149.4 | -82.7 | -169.1 | 174.7 | -178.2 | 0 | 108.5 | K946 | K946-K948 PolarHBondContact O-N 2.88Š| ||
| 949 | K | 27.1 | Very low | 32.8 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 85% | 0.852 | 64% | 0.642 | S | S | * | * | trans | -71.1 | 135.2 | 165.2 | -59.6 | 175.2 | 178.8 | -179.9 | 0 | 107.7 | ||||
| 950 | F | 27.8 | Very low | 33.9 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 91% | 0.908 | 63% | 0.632 | S | S | * | * | trans | -160.5 | 163.9 | 136.8 | -93.7 | -61.7 | 0 | 0 | 0 | 108.6 | ||||
| 951 | F | 27.3 | Very low | 35.2 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | trans | -91.1 | 168.9 | -167.3 | -79.3 | -104.4 | 0 | 0 | 0 | 112.7 | ||||
| 952 | S | 28.4 | Very low | 36.3 | Very low | 63 Ų | 63 | 121.8 Ų | 121.8 | 44% | 0.441 | 60% | 0.595 | S | S | . | * | trans | 55.3 | 95.6 | 155.1 | 57.2 | 0 | 0 | 0 | 0 | 118.4 | N762 | N762-S952 VanDerWaalsContact CG-CB 3.44Å; N762-S952 VanDerWaalsContact CG-OG 3.29Å; N762-S952 WeakPolarHBondContact ND2-CB 3.07Å; N762-S952 PolarHBondContact ND2-OG 2.95Å; N762-S952 WeakPolarHBondContact OD1-CB 3.49Å; N762-S952 PolarHBondContact OD1-OG 3.17Å; N762-S952 VanDerWaalsContact OD1-OG 3.05Å | ||
| 953 | T | 35.8 | Very low | 37.7 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 41% | 0.405 | 56% | 0.561 | S | S | . | * | trans | -96.2 | 143.6 | 153.8 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | E957 R958 | T953-E957 WeakPolarHBondContact CA-OE2 3.23Å; T953-R958 PolarHBondContact O-NH2 3.16Å; T953-R958 PolarHBondContact OG1-NE 3.06Å | ||
| 954 | T | 38.7 | Very low | 39.5 | Very low | 58 Ų | 58 | 117.5 Ų | 117.5 | 36% | 0.356 | 56% | 0.557 | S | S | . | * | trans | -74.6 | 169.4 | 179.5 | 64 | 0 | 0 | 0 | 0 | 112.7 | E957 R958 | T954-E957 PolarHBondContact N-OE2 3.13Å; T954-E957 WeakPolarHBondContact OG1-CB 3.34Å; T954-E957 WeakPolarHBondContact OG1-CG 3.46Å; T954-E957 PolarHBondContact OG1-N 3.49Å; T954-E957 PolarHBondContact OG1-OE2 3.09Å; T954-R958 WeakPolarHBondContact O-CG 3.47Å; T954-R958 PolarHBondContact O-N 3.5Å | ||
| 955 | R | 35.6 | Very low | 41.1 | Very low | 39 Ų | 39 | 116.5 Ų | 116.5 | 15% | 0.147 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 175.3 | -177.8 | 175.9 | 172.5 | 153.5 | -7.2 | 111.6 | S85 L765 S766 I767 R958 F959 | S85-R955 PolarHBondContact O-NH2 2.96Å; S85-R955 WeakPolarHBondContact OG-CD 3.33Å; S85-R955 WeakPolarHBondContact OG-CG 3.47Å; S85-R955 PolarHBondContact OG-NE 3.17Å; L765-R955 HydrophobicContact CB-CB 3.91Å; L765-R955 HydrophobicContact CD1-CB 3.72Å; L765-R955 HydrophobicContact CD2-CB 4.11Å; L765-R955 HydrophobicContact CG-CB 4.12Å; S766-R955 PolarHBondContact O-NH1 3.2Å; I767-R955 HydrophobicContact CD1-CB 4.5Å; I767-R955 HydrophobicContact CD1-CG 3.96Å; I767-R955 HydrophobicContact CG1-CB 4.48Å; I767-R955 HydrophobicContact CG1-CG 3.85Å; R955-R958 PolarHBondContact O-N 3.5Å; R955-F959 WeakPolarHBondContact O-CB 3.08Å; R955-F959 PolarHBondContact O-N 2.93Å |
| 956 | S | 38.5 | Very low | 42.6 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -56.4 | 172.5 | -47.2 | 0 | 0 | 0 | 0 | 110.3 | R958 F959 D960 | S956-R958 PolarHBondContact O-N 3.39Å; S956-F959 CarbonylContact O-C 3.59Å; S956-F959 WeakPolarHBondContact O-CA 3.41Å; S956-F959 PolarHBondContact O-N 3.3Å; S956-D960 VanDerWaalsContact C-OD2 3.23Å; S956-D960 PolarHBondContact O-N 3.12Å; S956-D960 VanDerWaalsContact O-OD2 3.06Å |
| 957 | E | 44.1 | Very low | 44.1 | Very low | 70 Ų | 70 | 108.7 Ų | 108.7 | 33% | 0.327 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.1 | -25 | 176.6 | -87.6 | -171.6 | 87 | 0 | 0 | 115.7 | T953 T954 D960 K961 | T953-E957 WeakPolarHBondContact CA-OE2 3.23Å; T954-E957 PolarHBondContact N-OE2 3.13Å; T954-E957 WeakPolarHBondContact OG1-CB 3.34Å; T954-E957 WeakPolarHBondContact OG1-CG 3.46Å; T954-E957 PolarHBondContact OG1-N 3.49Å; T954-E957 PolarHBondContact OG1-OE2 3.09Å; E957-D960 WeakPolarHBondContact CA-OD2 3.31Å; E957-D960 PolarHBondContact N-OD2 3.35Å; E957-K961 WeakPolarHBondContact O-CD 3.4Å; E957-K961 WeakPolarHBondContact O-CE 3.47Å; E957-K961 WeakPolarHBondContact O-CG 3.29Å; E957-K961 PolarHBondContact O-NZ 3.17Å; E957-K961 IonicContact OE1-NZ 3.2Å; E957-K961 PolarHBondContact OE1-NZ 3.27Å |
| 958 | R | 45.2 | Very low | 46 | Very low | 88 Ų | 88 | 104.7 Ų | 104.7 | 33% | 0.332 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -81.5 | -45.8 | 173.3 | -79 | -177.3 | -119.4 | 156.1 | 5.2 | 110.5 | T953 T954 R955 S956 D960 K961 E962 | T953-R958 PolarHBondContact O-NH2 3.16Å; T953-R958 PolarHBondContact OG1-NE 3.06Å; T954-R958 WeakPolarHBondContact O-CG 3.47Å; T954-R958 PolarHBondContact O-N 3.5Å; R955-R958 PolarHBondContact O-N 3.5Å; S956-R958 PolarHBondContact O-N 3.39Å; R958-D960 VanDerWaalsContact C-N 3.31Å; R958-D960 PolarHBondContact O-N 3.49Å; R958-K961 CarbonylContact O-C 3.51Å; R958-K961 WeakPolarHBondContact O-CA 3.3Å; R958-K961 WeakPolarHBondContact O-CB 3.41Å; R958-K961 PolarHBondContact O-N 2.99Å; R958-K961 VanDerWaalsContact O-N 3.07Å; R958-E962 PolarHBondContact O-N 3.31Å |
| 959 | F | 46.1 | Very low | 47.4 | Very low | 60 Ų | 60 | 97.4 Ų | 97.4 | 26% | 0.263 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 175.6 | -167.9 | -78.4 | 0 | 0 | 0 | 112.5 | S83 R955 S956 K961 E962 T963 | S83-F959 WeakPolarHBondContact O-CE1 3.42Å; R955-F959 WeakPolarHBondContact O-CB 3.08Å; R955-F959 PolarHBondContact O-N 2.93Å; S956-F959 CarbonylContact O-C 3.59Å; S956-F959 WeakPolarHBondContact O-CA 3.41Å; S956-F959 PolarHBondContact O-N 3.3Å; F959-K961 VanDerWaalsContact C-N 3.32Å; F959-K961 PolarHBondContact O-N 2.86Å; F959-E962 WeakPolarHBondContact O-CB 3.44Å; F959-E962 PolarHBondContact O-N 2.98Å; F959-T963 WeakPolarHBondContact CD1-OG1 3.43Å; F959-T963 WeakPolarHBondContact CE1-OG1 3.38Å; F959-T963 WeakPolarHBondContact O-CB 3.2Å; F959-T963 PolarHBondContact O-N 3.48Å; F959-T963 PolarHBondContact O-OG1 2.97Å |
| 960 | D | 54.1 | Low | 48.9 | Very low | 80 Ų | 80 | 90.2 Ų | 90.2 | 43% | 0.428 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 171.7 | -57.9 | -35.4 | 0 | 0 | 0 | 110.7 | S956 E957 R958 Q964 | S956-D960 VanDerWaalsContact C-OD2 3.23Å; S956-D960 PolarHBondContact O-N 3.12Å; S956-D960 VanDerWaalsContact O-OD2 3.06Å; E957-D960 WeakPolarHBondContact CA-OD2 3.31Å; E957-D960 PolarHBondContact N-OD2 3.35Å; R958-D960 VanDerWaalsContact C-N 3.31Å; R958-D960 PolarHBondContact O-N 3.49Å; D960-Q964 VanDerWaalsContact O-CB 3.27Å; D960-Q964 WeakPolarHBondContact O-CB 3.36Å; D960-Q964 WeakPolarHBondContact O-CG 3.42Å; D960-Q964 PolarHBondContact O-N 3.16Å |
| 961 | K | 57.5 | Low | 50.7 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 37% | 0.365 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 175.5 | -71.7 | 168.7 | -167.5 | 114.4 | 0 | 111.7 | E957 R958 F959 R965 | E957-K961 WeakPolarHBondContact O-CD 3.4Å; E957-K961 WeakPolarHBondContact O-CE 3.47Å; E957-K961 WeakPolarHBondContact O-CG 3.29Å; E957-K961 PolarHBondContact O-NZ 3.17Å; E957-K961 IonicContact OE1-NZ 3.2Å; E957-K961 PolarHBondContact OE1-NZ 3.27Å; R958-K961 CarbonylContact O-C 3.51Å; R958-K961 WeakPolarHBondContact O-CA 3.3Å; R958-K961 WeakPolarHBondContact O-CB 3.41Å; R958-K961 PolarHBondContact O-N 2.99Å; R958-K961 VanDerWaalsContact O-N 3.07Å; F959-K961 VanDerWaalsContact C-N 3.32Å; F959-K961 PolarHBondContact O-N 2.86Å; K961-R965 WeakPolarHBondContact O-CB 3.37Å; K961-R965 VanDerWaalsContact O-CG 3.24Å; K961-R965 WeakPolarHBondContact O-CG 3.37Å; K961-R965 PolarHBondContact O-N 3.49Å |
| 962 | E | 50.9 | Low | 52.5 | Low | 98 Ų | 98 | 80.2 Ų | 80.2 | 46% | 0.458 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 173.8 | -137.1 | 59.7 | -144.1 | 0 | 0 | 110.9 | R958 F959 R965 F966 | R958-E962 PolarHBondContact O-N 3.31Å; F959-E962 WeakPolarHBondContact O-CB 3.44Å; F959-E962 PolarHBondContact O-N 2.98Å; E962-R965 WeakPolarHBondContact O-CB 3.38Å; E962-R965 PolarHBondContact O-N 3.31Å; E962-R965 IonicContact OE2-NH2 3.64Å; E962-F966 PolarHBondContact O-N 3.25Å |
| 963 | T | 62.2 | Low | 53.7 | Low | 26 Ų | 26 | 79.2 Ų | 79.2 | 16% | 0.16 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | F959 F966 Q967 | F959-T963 WeakPolarHBondContact CD1-OG1 3.43Å; F959-T963 WeakPolarHBondContact CE1-OG1 3.38Å; F959-T963 WeakPolarHBondContact O-CB 3.2Å; F959-T963 PolarHBondContact O-N 3.48Å; F959-T963 PolarHBondContact O-OG1 2.97Å; T963-F966 PolarHBondContact O-N 3.36Å; T963-Q967 HydrophobicContact CG2-CG 4.44Å; T963-Q967 VanDerWaalsContact O-CB 3.3Å; T963-Q967 WeakPolarHBondContact O-CB 3.36Å; T963-Q967 VanDerWaalsContact O-CG 3.27Å; T963-Q967 WeakPolarHBondContact O-CG 3.49Å; T963-Q967 PolarHBondContact O-N 2.88Å |
| 964 | Q | 65.1 | Low | 54.6 | Low | 120 Ų | 120 | 80.6 Ų | 80.6 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.9 | -35.7 | 173.3 | -74.6 | 169.9 | 20 | 0 | 0 | 112.3 | D960 K968 | D960-Q964 VanDerWaalsContact O-CB 3.27Å; D960-Q964 WeakPolarHBondContact O-CB 3.36Å; D960-Q964 WeakPolarHBondContact O-CG 3.42Å; D960-Q964 PolarHBondContact O-N 3.16Å; Q964-K968 WeakPolarHBondContact O-CB 3.34Å; Q964-K968 PolarHBondContact O-N 2.87Å |
| 965 | R | 60.4 | Low | 55.6 | Low | 100 Ų | 100 | 82 Ų | 82 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 172.6 | -78.4 | 179.9 | -139.6 | -156.2 | 30.5 | 111.4 | E339 K961 E962 K968 A969 | E339-R965 IonicContact OE1-CZ 2.7Å; E339-R965 IonicContact OE1-NH1 2.74Å; E339-R965 PolarHBondContact OE1-NH1 3.35Å; E339-R965 IonicContact OE2-CZ 3.37Å; E339-R965 IonicContact OE2-NH1 3.63Å; E339-R965 PolarHBondContact OE2-NH1 3.35Å; K961-R965 WeakPolarHBondContact O-CB 3.37Å; K961-R965 VanDerWaalsContact O-CG 3.24Å; K961-R965 WeakPolarHBondContact O-CG 3.37Å; K961-R965 PolarHBondContact O-N 3.49Å; E962-R965 WeakPolarHBondContact O-CB 3.38Å; E962-R965 PolarHBondContact O-N 3.31Å; E962-R965 IonicContact OE2-NH2 3.64Å; R965-K968 CarbonylContact O-C 3.49Å; R965-K968 PolarHBondContact O-N 2.88Å; R965-A969 WeakPolarHBondContact O-CB 3.49Å; R965-A969 PolarHBondContact O-N 2.92Å |
| 966 | F | 61.1 | Low | 56.2 | Low | 136 Ų | 136 | 82.4 Ų | 82.4 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62 | -51.5 | 178 | -177.2 | -100.8 | 0 | 0 | 0 | 111.2 | E962 T963 K968 A969 C970 | E962-F966 PolarHBondContact O-N 3.25Å; T963-F966 PolarHBondContact O-N 3.36Å; F966-K968 VanDerWaalsContact C-N 3.3Å; F966-K968 PolarHBondContact O-N 3.35Å; F966-A969 WeakPolarHBondContact O-CB 3.42Å; F966-A969 PolarHBondContact O-N 3.13Å; F966-A969 VanDerWaalsContact O-N 3.07Å; F966-C970 PolarHBondContact O-N 2.86Å; F966-C970 PolarHBondContact O-SG 2.69Å |
| 967 | Q | 64.6 | Low | 56.8 | Low | 112 Ų | 112 | 82 Ų | 82 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.6 | -45.4 | 173.9 | -74.8 | 175.4 | -14.7 | 0 | 0 | 111.5 | T963 A969 C970 E971 | T963-Q967 HydrophobicContact CG2-CG 4.44Å; T963-Q967 VanDerWaalsContact O-CB 3.3Å; T963-Q967 WeakPolarHBondContact O-CB 3.36Å; T963-Q967 VanDerWaalsContact O-CG 3.27Å; T963-Q967 WeakPolarHBondContact O-CG 3.49Å; T963-Q967 PolarHBondContact O-N 2.88Å; Q967-A969 PolarHBondContact O-N 2.91Å; Q967-C970 CarbonylContact O-C 3.56Å; Q967-C970 WeakPolarHBondContact O-CB 3.45Å; Q967-C970 PolarHBondContact O-N 3.14Å; Q967-E971 WeakPolarHBondContact O-CG 3.41Å; Q967-E971 PolarHBondContact O-N 3.2Å |
| 968 | K | 66.3 | Low | 57 | Low | 131 Ų | 131 | 86 Ų | 86 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.7 | -32 | 177.7 | -169.9 | 172.8 | -171.2 | 173.2 | 0 | 113.2 | Q964 R965 F966 E971 I972 | Q964-K968 WeakPolarHBondContact O-CB 3.34Å; Q964-K968 PolarHBondContact O-N 2.87Å; R965-K968 CarbonylContact O-C 3.49Å; R965-K968 PolarHBondContact O-N 2.88Å; F966-K968 VanDerWaalsContact C-N 3.3Å; F966-K968 PolarHBondContact O-N 3.35Å; K968-E971 PolarHBondContact O-N 3.44Å; K968-I972 HydrophobicContact CG-CD1 4.25Å; K968-I972 WeakPolarHBondContact O-CB 3.49Å; K968-I972 WeakPolarHBondContact O-CD1 3.4Å; K968-I972 WeakPolarHBondContact O-CG1 3.4Å; K968-I972 PolarHBondContact O-N 3.29Å |
| 969 | A | 58.3 | Low | 57.2 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | R965 F966 Q967 I972 S973 | R965-A969 WeakPolarHBondContact O-CB 3.49Å; R965-A969 PolarHBondContact O-N 2.92Å; F966-A969 WeakPolarHBondContact O-CB 3.42Å; F966-A969 PolarHBondContact O-N 3.13Å; F966-A969 VanDerWaalsContact O-N 3.07Å; Q967-A969 PolarHBondContact O-N 2.91Å; A969-I972 PolarHBondContact O-N 3.39Å; A969-S973 WeakPolarHBondContact O-CB 3.42Å; A969-S973 PolarHBondContact O-N 3.39Å |
| 970 | C | 58.4 | Low | 57.1 | Low | 45 Ų | 45 | 86.9 Ų | 86.9 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 171.2 | -61 | 0 | 0 | 0 | 0 | 112.1 | F966 Q967 S973 N974 | F966-C970 PolarHBondContact O-N 2.86Å; F966-C970 PolarHBondContact O-SG 2.69Å; Q967-C970 CarbonylContact O-C 3.56Å; Q967-C970 WeakPolarHBondContact O-CB 3.45Å; Q967-C970 PolarHBondContact O-N 3.14Å; C970-S973 PolarHBondContact O-N 2.96Å; C970-N974 VanDerWaalsContact O-CB 3.32Å; C970-N974 WeakPolarHBondContact O-CB 3.34Å; C970-N974 PolarHBondContact O-N 3.42Å; C970-N974 PolarHBondContact O-ND2 3.45Å |
| 971 | E | 65.1 | Low | 56.7 | Low | 126 Ų | 126 | 90.3 Ų | 90.3 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.4 | -48.2 | 172.8 | -75.9 | 178.5 | 167 | 0 | 0 | 111.4 | Q967 K968 S973 N974 V975 | Q967-E971 WeakPolarHBondContact O-CG 3.41Å; Q967-E971 PolarHBondContact O-N 3.2Å; K968-E971 PolarHBondContact O-N 3.44Å; E971-S973 VanDerWaalsContact C-N 3.32Å; E971-S973 PolarHBondContact O-N 3.13Å; E971-N974 PolarHBondContact O-N 3.03Å; E971-V975 WeakPolarHBondContact O-CB 3.41Å; E971-V975 WeakPolarHBondContact O-CG2 3.31Å; E971-V975 PolarHBondContact O-N 3.14Å |
| 972 | I | 65.1 | Low | 56 | Low | 60 Ų | 60 | 89.6 Ų | 89.6 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.3 | -70.7 | 163.3 | 0 | 0 | 0 | 110.6 | I939 K968 A969 V975 N976 | I939-I972 HydrophobicContact CD1-CD1 4.46Å; K968-I972 HydrophobicContact CG-CD1 4.25Å; K968-I972 WeakPolarHBondContact O-CB 3.49Å; K968-I972 WeakPolarHBondContact O-CD1 3.4Å; K968-I972 WeakPolarHBondContact O-CG1 3.4Å; K968-I972 PolarHBondContact O-N 3.29Å; A969-I972 PolarHBondContact O-N 3.39Å; I972-V975 PolarHBondContact O-N 3.04Å; I972-N976 WeakPolarHBondContact O-CB 3.38Å; I972-N976 VanDerWaalsContact O-CG 3.22Å; I972-N976 PolarHBondContact O-N 2.93Å; I972-N976 PolarHBondContact O-ND2 2.89Å |
| 973 | S | 54.8 | Low | 55.7 | Low | 42 Ų | 42 | 91.7 Ų | 91.7 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.5 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | A969 C970 E971 N976 K977 | A969-S973 WeakPolarHBondContact O-CB 3.42Å; A969-S973 PolarHBondContact O-N 3.39Å; C970-S973 PolarHBondContact O-N 2.96Å; E971-S973 VanDerWaalsContact C-N 3.32Å; E971-S973 PolarHBondContact O-N 3.13Å; S973-N976 PolarHBondContact O-N 3.47Å; S973-K977 WeakPolarHBondContact O-CB 3.49Å; S973-K977 WeakPolarHBondContact O-CG 3.36Å; S973-K977 PolarHBondContact O-N 3.44Å |
| 974 | N | 55.1 | Low | 54.9 | Low | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 178.2 | -80.1 | -52.2 | 0 | 0 | 0 | 113.5 | C970 E971 K978 | C970-N974 VanDerWaalsContact O-CB 3.32Å; C970-N974 WeakPolarHBondContact O-CB 3.34Å; C970-N974 PolarHBondContact O-N 3.42Å; C970-N974 PolarHBondContact O-ND2 3.45Å; E971-N974 PolarHBondContact O-N 3.03Å; N974-K978 WeakPolarHBondContact O-CG 3.47Å; N974-K978 PolarHBondContact O-N 3.1Å |
| 975 | V | 58.1 | Low | 53.8 | Low | 86 Ų | 86 | 99.4 Ų | 99.4 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 171.4 | 169.6 | 0 | 0 | 0 | 0 | 109.6 | E971 I972 K977 K978 T979 | E971-V975 WeakPolarHBondContact O-CB 3.41Å; E971-V975 WeakPolarHBondContact O-CG2 3.31Å; E971-V975 PolarHBondContact O-N 3.14Å; I972-V975 PolarHBondContact O-N 3.04Å; V975-K977 VanDerWaalsContact C-N 3.34Å; V975-K977 PolarHBondContact O-N 2.96Å; V975-K978 CarbonylContact O-C 3.58Å; V975-K978 WeakPolarHBondContact O-CA 3.46Å; V975-K978 WeakPolarHBondContact O-CB 3.4Å; V975-K978 PolarHBondContact O-N 3.24Å; V975-T979 PolarHBondContact O-N 3.28Å; V975-T979 PolarHBondContact O-OG1 2.88Å; V975-T979 VanDerWaalsContact O-OG1 3.06Å |
| 976 | N | 49.4 | Very low | 52.7 | Low | 48 Ų | 48 | 97.4 Ų | 97.4 | 26% | 0.257 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 176.3 | -73.2 | -20.1 | 0 | 0 | 0 | 111.8 | I972 S973 K978 T979 L980 | I972-N976 WeakPolarHBondContact O-CB 3.38Å; I972-N976 VanDerWaalsContact O-CG 3.22Å; I972-N976 PolarHBondContact O-N 2.93Å; I972-N976 PolarHBondContact O-ND2 2.89Å; S973-N976 PolarHBondContact O-N 3.47Å; N976-K978 VanDerWaalsContact C-N 3.32Å; N976-K978 PolarHBondContact O-N 2.92Å; N976-T979 PolarHBondContact O-N 3.24Å; N976-L980 WeakPolarHBondContact O-CB 3.37Å; N976-L980 WeakPolarHBondContact O-CD1 3.22Å; N976-L980 PolarHBondContact O-N 3.44Å |
| 977 | K | 50.6 | Low | 51.7 | Low | 63 Ų | 63 | 93.5 Ų | 93.5 | 27% | 0.274 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 174.6 | -73.3 | -176.7 | 179 | -162.8 | 0 | 112.5 | D382 S973 V975 K981 | D382-K977 VanDerWaalsContact CG-CE 3.45Å; D382-K977 PolarHBondContact O-NZ 2.99Å; D382-K977 VanDerWaalsContact OD2-CD 3.3Å; D382-K977 WeakPolarHBondContact OD2-CD 3.48Å; D382-K977 WeakPolarHBondContact OD2-CE 3.4Å; D382-K977 IonicContact OD2-NZ 2.94Å; D382-K977 PolarHBondContact OD2-NZ 3.31Å; D382-K977 VanDerWaalsContact OD2-NZ 3.08Å; S973-K977 WeakPolarHBondContact O-CB 3.49Å; S973-K977 WeakPolarHBondContact O-CG 3.36Å; S973-K977 PolarHBondContact O-N 3.44Å; V975-K977 VanDerWaalsContact C-N 3.34Å; V975-K977 PolarHBondContact O-N 2.96Å; K977-K981 WeakPolarHBondContact O-CB 3.47Å; K977-K981 WeakPolarHBondContact O-CD 3.36Å; K977-K981 WeakPolarHBondContact O-CG 3.46Å; K977-K981 PolarHBondContact O-N 3.46Å; K977-K981 VanDerWaalsContact O-N 3.16Å |
| 978 | K | 49.1 | Very low | 50.7 | Low | 156 Ų | 156 | 94.9 Ų | 94.9 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69 | -42.8 | 170.3 | -74.1 | 173.3 | -179.4 | 176.2 | 0 | 112.2 | N974 V975 N976 K981 S982 | N974-K978 WeakPolarHBondContact O-CG 3.47Å; N974-K978 PolarHBondContact O-N 3.1Å; V975-K978 CarbonylContact O-C 3.58Å; V975-K978 WeakPolarHBondContact O-CA 3.46Å; V975-K978 WeakPolarHBondContact O-CB 3.4Å; V975-K978 PolarHBondContact O-N 3.24Å; N976-K978 VanDerWaalsContact C-N 3.32Å; N976-K978 PolarHBondContact O-N 2.92Å; K978-K981 PolarHBondContact O-N 3.36Å; K978-S982 PolarHBondContact O-N 3.42Å |
| 979 | T | 49.6 | Very low | 49.9 | Very low | 64 Ų | 64 | 92.6 Ų | 92.6 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.5 | -32.3 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 113.3 | V975 N976 S982 K983 | V975-T979 PolarHBondContact O-N 3.28Å; V975-T979 PolarHBondContact O-OG1 2.88Å; V975-T979 VanDerWaalsContact O-OG1 3.06Å; N976-T979 PolarHBondContact O-N 3.24Å; T979-S982 PolarHBondContact O-OG 2.92Å; T979-K983 WeakPolarHBondContact O-CB 3.24Å; T979-K983 PolarHBondContact O-N 3.5Å |
| 980 | L | 44 | Very low | 49.3 | Very low | 101 Ų | 101 | 96.2 Ų | 96.2 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 167.8 | -96.4 | 77.1 | 0 | 0 | 0 | 110.5 | N976 S982 K983 K984 | N976-L980 WeakPolarHBondContact O-CB 3.37Å; N976-L980 WeakPolarHBondContact O-CD1 3.22Å; N976-L980 PolarHBondContact O-N 3.44Å; L980-S982 VanDerWaalsContact C-N 3.31Å; L980-S982 PolarHBondContact O-N 2.72Å; L980-K983 PolarHBondContact O-N 2.87Å; L980-K984 VanDerWaalsContact O-CB 3.24Å; L980-K984 WeakPolarHBondContact O-CB 3.37Å; L980-K984 PolarHBondContact O-N 2.85Å |
| 981 | K | 44.5 | Very low | 48.7 | Very low | 153 Ų | 153 | 98.8 Ų | 98.8 | 67% | 0.665 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -35.6 | 177.5 | -76.3 | 173.6 | -177.8 | -179.5 | 0 | 112.6 | K977 K978 K985 | K977-K981 WeakPolarHBondContact O-CB 3.47Å; K977-K981 WeakPolarHBondContact O-CD 3.36Å; K977-K981 WeakPolarHBondContact O-CG 3.46Å; K977-K981 PolarHBondContact O-N 3.46Å; K977-K981 VanDerWaalsContact O-N 3.16Å; K978-K981 PolarHBondContact O-N 3.36Å; K981-K985 PolarHBondContact O-N 2.85Å |
| 982 | S | 43.3 | Very low | 47.9 | Very low | 69 Ų | 69 | 99.1 Ų | 99.1 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.4 | -45.6 | 173 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | K978 T979 L980 K984 K985 S986 | K978-S982 PolarHBondContact O-N 3.42Å; T979-S982 PolarHBondContact O-OG 2.92Å; L980-S982 VanDerWaalsContact C-N 3.31Å; L980-S982 PolarHBondContact O-N 2.72Å; S982-K984 PolarHBondContact O-N 3.07Å; S982-K985 WeakPolarHBondContact O-CB 3.31Å; S982-K985 PolarHBondContact O-N 3.23Å; S982-K985 VanDerWaalsContact O-N 3.12Å; S982-S986 PolarHBondContact O-N 2.92Å |
| 983 | K | 45.1 | Very low | 46.8 | Very low | 141 Ų | 141 | 104 Ų | 104 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 176.3 | -82.2 | -174.7 | 171 | -176.8 | 0 | 113 | T979 L980 K985 S986 S987 | T979-K983 WeakPolarHBondContact O-CB 3.24Å; T979-K983 PolarHBondContact O-N 3.5Å; L980-K983 PolarHBondContact O-N 2.87Å; K983-K985 PolarHBondContact O-N 3.24Å; K983-S986 PolarHBondContact O-N 3.17Å; K983-S986 PolarHBondContact O-OG 2.91Å; K983-S986 VanDerWaalsContact O-OG 3.12Å; K983-S987 WeakPolarHBondContact O-CB 3.48Å; K983-S987 PolarHBondContact O-N 3.15Å; K983-S987 PolarHBondContact O-OG 3.09Å |
| 984 | K | 44.7 | Very low | 46.1 | Very low | 160 Ų | 160 | 108.9 Ų | 108.9 | 70% | 0.696 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73 | -12.4 | 177.9 | -152.9 | 168.2 | -170.7 | 173 | 0 | 112.5 | L980 S982 | L980-K984 VanDerWaalsContact O-CB 3.24Å; L980-K984 WeakPolarHBondContact O-CB 3.37Å; L980-K984 PolarHBondContact O-N 2.85Å; S982-K984 PolarHBondContact O-N 3.07Å |
| 985 | K | 41.2 | Very low | 45.4 | Very low | 149 Ų | 149 | 111 Ų | 111 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -87.5 | -50.9 | 167.6 | -155.5 | 176.6 | -175.1 | -174 | 0 | 110.9 | K981 S982 K983 S987 K988 D989 | K981-K985 PolarHBondContact O-N 2.85Å; S982-K985 WeakPolarHBondContact O-CB 3.31Å; S982-K985 PolarHBondContact O-N 3.23Å; S982-K985 VanDerWaalsContact O-N 3.12Å; K983-K985 PolarHBondContact O-N 3.24Å; K985-S987 VanDerWaalsContact C-N 3.3Å; K985-S987 PolarHBondContact O-N 3Å; K985-K988 WeakPolarHBondContact O-CA 3.43Å; K985-K988 WeakPolarHBondContact O-CB 3.36Å; K985-K988 PolarHBondContact O-N 2.93Å; K985-D989 PolarHBondContact O-N 3.47Å |
| 986 | S | 39.2 | Very low | 44.3 | Very low | 58 Ų | 58 | 115.8 Ų | 115.8 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.2 | -35 | 178.9 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | S982 K983 K988 D989 E990 | S982-S986 PolarHBondContact O-N 2.92Å; K983-S986 PolarHBondContact O-N 3.17Å; K983-S986 PolarHBondContact O-OG 2.91Å; K983-S986 VanDerWaalsContact O-OG 3.12Å; S986-K988 VanDerWaalsContact C-N 3.31Å; S986-K988 PolarHBondContact O-N 3.12Å; S986-D989 PolarHBondContact O-N 2.98Å; S986-E990 PolarHBondContact O-N 3.44Å |
| 987 | S | 39.7 | Very low | 43.7 | Very low | 53 Ų | 53 | 119.3 Ų | 119.3 | 37% | 0.371 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.8 | -24.3 | 175 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | K983 K985 N991 | K983-S987 WeakPolarHBondContact O-CB 3.48Å; K983-S987 PolarHBondContact O-N 3.15Å; K983-S987 PolarHBondContact O-OG 3.09Å; K985-S987 VanDerWaalsContact C-N 3.3Å; K985-S987 PolarHBondContact O-N 3Å; S987-N991 WeakPolarHBondContact O-CB 3.38Å; S987-N991 PolarHBondContact O-N 3.18Å; S987-N991 PolarHBondContact O-ND2 3.1Å |
| 988 | K | 44.1 | Very low | 42.9 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 62% | 0.617 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.9 | -42.1 | 168.3 | -83.4 | -169.5 | 170.6 | -170.9 | 0 | 110.7 | K985 S986 N991 Q992 | K985-K988 WeakPolarHBondContact O-CA 3.43Å; K985-K988 WeakPolarHBondContact O-CB 3.36Å; K985-K988 PolarHBondContact O-N 2.93Å; S986-K988 VanDerWaalsContact C-N 3.31Å; S986-K988 PolarHBondContact O-N 3.12Å; K988-N991 PolarHBondContact O-N 2.97Å; K988-Q992 WeakPolarHBondContact O-CB 3.48Å; K988-Q992 WeakPolarHBondContact O-CG 3.5Å; K988-Q992 PolarHBondContact O-N 3.42Å |
| 989 | D | 48.4 | Very low | 42.2 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 44% | 0.444 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.4 | -37.2 | 179.7 | -59.5 | -30 | 0 | 0 | 0 | 112.3 | K985 S986 K993 | K985-D989 PolarHBondContact O-N 3.47Å; S986-D989 PolarHBondContact O-N 2.98Å; D989-K993 WeakPolarHBondContact O-CB 3.34Å; D989-K993 WeakPolarHBondContact O-CG 3.35Å; D989-K993 PolarHBondContact O-N 3.44Å |
| 990 | E | 46.1 | Very low | 41.4 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 59% | 0.593 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.7 | -43 | 171.8 | -79.7 | -165.2 | 100.1 | 0 | 0 | 112.7 | S986 K993 K994 | S986-E990 PolarHBondContact O-N 3.44Å; E990-K993 PolarHBondContact O-N 2.95Å; E990-K994 PolarHBondContact O-N 3.18Å |
| 991 | N | 45 | Very low | 40.9 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.8 | -35.5 | 178 | -76.3 | -14.3 | 0 | 0 | 0 | 112 | S987 K988 K993 K994 L995 | S987-N991 WeakPolarHBondContact O-CB 3.38Å; S987-N991 PolarHBondContact O-N 3.18Å; S987-N991 PolarHBondContact O-ND2 3.1Å; K988-N991 PolarHBondContact O-N 2.97Å; N991-K993 VanDerWaalsContact C-N 3.31Å; N991-K993 PolarHBondContact O-N 3.18Å; N991-K994 PolarHBondContact O-N 3.38Å; N991-L995 WeakPolarHBondContact O-CB 3.34Å; N991-L995 PolarHBondContact O-N 2.89Å |
| 992 | Q | 48 | Very low | 40.6 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.3 | -24.4 | 171.7 | -73.5 | -171.5 | 1.4 | 0 | 0 | 113.4 | K988 | K988-Q992 WeakPolarHBondContact O-CB 3.48Å; K988-Q992 WeakPolarHBondContact O-CG 3.5Å; K988-Q992 PolarHBondContact O-N 3.42Å |
| 993 | K | 43 | Very low | 40.1 | Very low | 162 Ų | 162 | 138 Ų | 138 | 70% | 0.704 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.4 | -33.7 | 169.3 | -78.4 | 177.7 | 177.2 | 177.3 | 0 | 112.8 | D989 E990 N991 K996 | D989-K993 WeakPolarHBondContact O-CB 3.34Å; D989-K993 WeakPolarHBondContact O-CG 3.35Å; D989-K993 PolarHBondContact O-N 3.44Å; E990-K993 PolarHBondContact O-N 2.95Å; N991-K993 VanDerWaalsContact C-N 3.31Å; N991-K993 PolarHBondContact O-N 3.18Å; K993-K996 PolarHBondContact O-N 2.87Å |
| 994 | K | 40.7 | Very low | 39.3 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 63% | 0.63 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.4 | -37.6 | 173.1 | -79.8 | -178.8 | 174.5 | 173.3 | 0 | 113 | E990 N991 K996 V997 | E990-K994 PolarHBondContact O-N 3.18Å; N991-K994 PolarHBondContact O-N 3.38Å; K994-K996 PolarHBondContact O-N 2.85Å; K994-K996 VanDerWaalsContact O-N 3.09Å; K994-V997 PolarHBondContact O-N 3.34Å |
| 995 | L | 39.8 | Very low | 38.9 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 2.8 | 174.9 | -98.7 | 71 | 0 | 0 | 0 | 114.9 | N991 | N991-L995 WeakPolarHBondContact O-CB 3.34Å; N991-L995 PolarHBondContact O-N 2.89Å |
| 996 | K | 35.9 | Very low | 38.5 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 81% | 0.809 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 14.3 | 176.4 | -76.9 | -173.3 | 171.8 | -178.1 | 0 | 114.2 | K993 K994 | K993-K996 PolarHBondContact O-N 2.87Å; K994-K996 PolarHBondContact O-N 2.85Å; K994-K996 VanDerWaalsContact O-N 3.09Å |
| 997 | V | 36.3 | Very low | 38 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -119 | -9.6 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | K994 | K994-V997 PolarHBondContact O-N 3.34Š|
| 998 | T | 33.8 | Very low | 37.6 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -116.6 | 45.6 | -177.5 | 54 | 0 | 0 | 0 | 0 | 113.1 | ||
| 999 | D | 34.4 | Very low | 36.9 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -154.5 | 72.9 | 172.4 | -114.3 | -27.4 | 0 | 0 | 0 | 110.6 | ||
| 1000 | N | 31.3 | Very low | 36.1 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -172.4 | 58.4 | 167.8 | -110.6 | -61.1 | 0 | 0 | 0 | 113.4 | ||||
| 1001 | H | 34 | Very low | 35.3 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | trans | -142.5 | 67.4 | 176.3 | -113.7 | 42.3 | 0 | 0 | 0 | 114.7 | ||||
| 1002 | Q | 39.3 | Very low | 34.6 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -165.6 | 135.7 | 144.7 | -111.7 | 165.9 | 80.4 | 0 | 0 | 112.5 | ||
| 1003 | R | 31.2 | Very low | 33.7 | Very low | 221 Ų | 221 | 146.3 Ų | 146.3 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 44.1 | 95 | 159.3 | -61.8 | 176.1 | -176.8 | 156.3 | 2 | 115.9 | ||||
| 1004 | N | 29.5 | Very low | 33.2 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | cis | 57.2 | 86 | 41.2 | -164.7 | 17.2 | 0 | 0 | 0 | 114.3 | ||||
| 1005 | Q | 35.2 | Very low | 32.7 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | 178.8 | 136.1 | 121.9 | -98.2 | 179.3 | 51.8 | 0 | 0 | 114.1 | |||||
| 1006 | Q | 34.2 | Very low | 32.4 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 60.8 | 154.6 | 154 | -58.5 | 175.4 | 12.9 | 0 | 0 | 120.7 | ||||
| 1007 | S | 29.1 | Very low | 32.1 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | cis | -168.3 | 156.8 | -38.5 | 66 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1008 | N | 30.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | 69.6 | 119.8 | 162.2 | -64.4 | -65.6 | 0 | 0 | 0 | 118 | ||||
| 1009 | K | 28.8 | Very low | 31.2 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | 77.5 | 139.8 | 99.3 | -66.1 | 175.9 | -176.9 | 174.1 | 0 | 113.6 | |||||
| 1010 | S | 32.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | -142.3 | 165 | 26 | -66.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1011 | T | 28.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -40.7 | 164.9 | 156.5 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1012 | S | 30.5 | Very low | 30.3 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | cis | -171.5 | 158 | 44.4 | 61.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1013 | N | 29.5 | Very low | 29.9 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 62.9 | 160.3 | 146.8 | -55.9 | -5.6 | 0 | 0 | 0 | 119.3 | ||||
| 1014 | H | 31.4 | Very low | 29.8 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | cis | -150.3 | 144.1 | 9.4 | -133.6 | -63.6 | 0 | 0 | 0 | 112.1 | ||||
| 1015 | F | 30.5 | Very low | 29.8 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | -87.5 | 173.1 | 155.4 | -93.5 | -95.7 | 0 | 0 | 0 | 108.9 | ||||
| 1016 | P | 33.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | cis | -154.9 | -161.6 | 37 | 45.6 | -21.9 | 0 | 0 | 0 | 117.8 | ||||
| 1017 | T | 30.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | -65.7 | 150.5 | 174.4 | -10.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1018 | M | 24.2 | Very low | 29.8 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | 170.5 | 152.3 | 111.2 | -104.3 | -166.9 | -74.3 | 0 | 0 | 116.8 | |||||
| 1019 | K | 26.1 | Very low | 29.8 | Very low | 146 Ų | 146 | 134 Ų | 134 | 64% | 0.635 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 133.9 | 141.4 | -82.5 | 172.7 | 156.7 | -109.8 | 0 | 124 | ||||
| 1020 | E | 28 | Very low | 29.8 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | trans | 70.2 | 146.4 | 132.7 | -68.5 | 163.5 | 172 | 0 | 0 | 120.2 | ||||
| 1021 | A | 26.3 | Very low | 29.8 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | cis | -169.6 | -177.1 | -19.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1022 | V | 26.9 | Very low | 30.2 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 70.2 | 138.6 | 153.5 | 164.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1023 | Q | 29.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | cis | -162.9 | 162.6 | -11.5 | -116.4 | 175.4 | -1.5 | 0 | 0 | 112.4 | ||||
| 1024 | T | 29.5 | Very low | 30 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | 47.9 | 109.9 | 139.4 | -49 | 0 | 0 | 0 | 0 | 122.5 | I1026 | T1024-I1026 HydrophobicContact CG2-CD1 3.68Å; T1024-I1026 HydrophobicContact CG2-CG1 4.18Å | ||
| 1025 | A | 30.3 | Very low | 29.9 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | -172.2 | 98.9 | 118.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1026 | I | 29.8 | Very low | 29.9 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | 68 | 105.8 | 89.8 | -64 | 163.1 | 0 | 0 | 0 | 111.3 | T1024 | T1024-I1026 HydrophobicContact CG2-CD1 3.68Å; T1024-I1026 HydrophobicContact CG2-CG1 4.18Å | |||
| 1027 | L | 32.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | 69 | 158.4 | 59.9 | -74.3 | 169.3 | 0 | 0 | 0 | 113.9 | |||||
| 1028 | P | 35 | Very low | 29.7 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | cis | -144.4 | -178.4 | -15.3 | 33.2 | -11.1 | 0 | 0 | 0 | 117.2 | ||||
| 1029 | H | 29.9 | Very low | 30.2 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 82% | 0.819 | 73% | 0.727 | S | S | * | * | trans | 65.4 | 160.9 | 155.7 | -47.7 | -47.1 | 0 | 0 | 0 | 118.3 | ||||
| 1030 | S | 30.3 | Very low | 30.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | cis | -145.8 | 157.7 | 10.1 | -44.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1031 | M | 32.3 | Very low | 30.5 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -98 | -156.1 | 149.1 | -55 | 166.2 | 54 | 0 | 0 | 107.4 | ||||
| 1032 | P | 36.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | cis | -130.9 | -147.2 | -24.4 | 20.4 | 7.3 | 0 | 0 | 0 | 110.4 | ||||
| 1033 | V | 28.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 79.4 | 138.3 | 151.6 | 177.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1034 | D | 28.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -171.8 | 172.7 | -29.4 | -93 | -26.7 | 0 | 0 | 0 | 106.8 | ||||
| 1035 | S | 29.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 67.1 | 155.3 | 146.6 | 66.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1036 | D | 30.2 | Very low | 31.5 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | cis | -166.2 | -177.2 | -25.3 | -98.4 | -29.8 | 0 | 0 | 0 | 107.7 | ||||
| 1037 | Q | 31.7 | Very low | 31.7 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 72.4 | 105.3 | 164.4 | -71.2 | 152.1 | 32.7 | 0 | 0 | 115.3 | ||||
| 1038 | D | 29.5 | Very low | 31.7 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 78.6 | 121.9 | 69.7 | -72.2 | -42 | 0 | 0 | 0 | 112.4 | |||||
| 1039 | F | 33.2 | Very low | 31.5 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | -162.7 | 127.4 | 118.3 | -104.5 | -67.1 | 0 | 0 | 0 | 111.7 | |||||
| 1040 | N | 31.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | -15.9 | 130.8 | 163.1 | -58.8 | -35.4 | 0 | 0 | 0 | 116.2 | ||||
| 1041 | V | 29.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | 59.4 | 110.9 | 70.7 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1042 | E | 33.5 | Very low | 31.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | -150 | 155.3 | 129.4 | -138.4 | 163.2 | -150.2 | 0 | 0 | 110.9 | |||||
| 1043 | I | 28.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -124 | 130.5 | -177.8 | -61.2 | 168.1 | 0 | 0 | 0 | 106.7 | ||||
| 1044 | V | 34.5 | Very low | 31.5 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -139.2 | 138.7 | 169.1 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1045 | D | 33.1 | Very low | 31.9 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -74.3 | 163.4 | -173.9 | -77.5 | -60.1 | 0 | 0 | 0 | 114.8 | ||||
| 1046 | P | 36 | Very low | 32.2 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -81.5 | 144.2 | 157.3 | 35.4 | -32 | 0 | 0 | 0 | 111.5 | ||||
| 1047 | D | 32.5 | Very low | 32.4 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 177.4 | 168.5 | 140 | -95.6 | -22.4 | 0 | 0 | 0 | 110.6 | ||||
| 1048 | D | 33.8 | Very low | 32.5 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 61.7 | 154 | 162.4 | -60.5 | -14.1 | 0 | 0 | 0 | 120.1 | ||||
| 1049 | E | 30.5 | Very low | 32.5 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -157 | 132.2 | -28.7 | -109.2 | -156.6 | 150.7 | 0 | 0 | 109.4 | ||||
| 1050 | I | 28.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 60.3 | 169.9 | 136.9 | -49.2 | 175.2 | 0 | 0 | 0 | 119.6 | ||||
| 1051 | V | 31.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 70% | 0.703 | 73% | 0.732 | S | S | * | * | trans | 93.8 | 80.1 | 160.7 | -163.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1052 | D | 30.7 | Very low | 32 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | 56.2 | 161.2 | 121.9 | -66.6 | -31.9 | 0 | 0 | 0 | 123.5 | |||||
| 1053 | S | 35 | Very low | 31.7 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 82.6 | 137.6 | 155 | 79 | 0 | 0 | 0 | 0 | 118 | ||||
| 1054 | N | 31.4 | Very low | 31.7 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | -167.3 | -168.1 | -27.5 | -136.8 | 40.6 | 0 | 0 | 0 | 109.4 | ||||
| 1055 | D | 36.5 | Very low | 31.3 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | trans | 66.9 | 107.2 | 156 | -55.9 | -8.5 | 0 | 0 | 0 | 115.6 | ||||
| 1056 | D | 35 | Very low | 31 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | 90.8 | 145.3 | 76.6 | -78.3 | -4.1 | 0 | 0 | 0 | 111.1 | |||||
| 1057 | D | 34.6 | Very low | 30.5 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | cis | -155.2 | -171.9 | 2.5 | -152.1 | -16 | 0 | 0 | 0 | 110.7 | ||||
| 1058 | I | 33.9 | Very low | 30.3 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | 48.4 | 128.8 | 141.9 | -74.8 | 157.1 | 0 | 0 | 0 | 118.3 | ||||
| 1059 | M | 28.7 | Very low | 30 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | 164.7 | 151.9 | -12.1 | -118.6 | -95.7 | -82.7 | 0 | 0 | 106.4 | ||||
| 1060 | S | 27.8 | Very low | 29.8 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 46% | 0.462 | 74% | 0.74 | S | S | . | * | trans | 64.8 | 119.9 | 148.4 | -76.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1061 | R | 29.6 | Very low | 29.8 | Very low | 229 Ų | 229 | 144.2 Ų | 144.2 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | 72.8 | 149.5 | 129.2 | -62.5 | 171.5 | -170.7 | -172.8 | 0.8 | 118.1 | |||||
| 1062 | S | 26.4 | Very low | 29.7 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -173.3 | 155.6 | -15.6 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1063 | W | 27.1 | Very low | 29.6 | Very low | 241 Ų | 241 | 150.8 Ų | 150.8 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | trans | 67.9 | 115.9 | 163.8 | -63.3 | 18.3 | 0 | 0 | 0 | 119 | ||||
| 1064 | K | 27.6 | Very low | 29.1 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | 179.9 | 135.8 | 107.1 | -97.6 | 169.6 | -177.3 | 176.1 | 0 | 111.4 | |||||
| 1065 | P | 26.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 157.6 Ų | 157.6 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | trans | -99.6 | 114.1 | 173.3 | 34.4 | -27.5 | 0 | 0 | 0 | 111.7 | ||||
| 1066 | T | 27.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 157.1 Ų | 157.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -141 | 147.6 | 174.4 | -34.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1067 | K | 25.5 | Very low | 28.1 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -61.5 | 138.4 | -179.1 | -58.5 | 167.8 | -177.9 | 173.8 | 0 | 111.6 | ||||
| 1068 | L | 28.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -128.5 | 86.5 | 159.8 | -122 | 170.5 | 0 | 0 | 0 | 108.8 | ||||
| 1069 | S | 26.8 | Very low | 27.5 | Very low | 80 Ų | 80 | 163.9 Ų | 163.9 | 56% | 0.559 | 79% | 0.794 | S | S | * | * | trans | -79 | 174.9 | 164.9 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1070 | D | 26.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 162.2 Ų | 162.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 64.6 | 49.9 | 158.3 | -51.5 | -58.5 | 0 | 0 | 0 | 118 | ||
| 1071 | K | 29.1 | Very low | 27.3 | Very low | 189 Ų | 189 | 164 Ų | 164 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -142.3 | 11.3 | 159.4 | -120.9 | 166.5 | -171.9 | 175.6 | 0 | 118.9 | ||
| 1072 | L | 29.6 | Very low | 27.2 | Very low | 182 Ų | 182 | 161.1 Ų | 161.1 | 95% | 0.953 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -119.5 | 33.4 | 162.5 | -76.9 | 175 | 0 | 0 | 0 | 112.7 | ||
| 1073 | R | 27 | Very low | 27.2 | Very low | 216 Ų | 216 | 161.9 Ų | 161.9 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -121.9 | 149.9 | 154.1 | -80.9 | -177.5 | 168.4 | -177.7 | -4 | 107.6 | ||
| 1074 | R | 25.2 | Very low | 27.1 | Very low | 222 Ų | 222 | 157.1 Ų | 157.1 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 75.2 | 64.2 | -179 | -49.1 | -177.8 | -170 | -177.8 | 4.6 | 116.6 | ||||
| 1075 | L | 28 | Very low | 27 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -163.8 | 106.2 | 146 | -100.3 | 167.2 | 0 | 0 | 0 | 105.6 | ||
| 1076 | C | 29.3 | Very low | 26.9 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | -126.4 | 118.3 | 7.3 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | K1078 | C1076-K1078 PolarHBondContact O-N 3.25Š| ||
| 1077 | D | 25.1 | Very low | 27.1 | Very low | 137 Ų | 137 | 153 Ų | 153 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -71.4 | 108.4 | 155 | -83.5 | -69.4 | 0 | 0 | 0 | 109.3 | ||||
| 1078 | K | 30.7 | Very low | 27.2 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -130.1 | 105 | 158.8 | -87.3 | -170.1 | 174.9 | 177 | 0 | 110.6 | C1076 | C1076-K1078 PolarHBondContact O-N 3.25Š| ||
| 1079 | K | 25 | Very low | 27.1 | Very low | 208 Ų | 208 | 149 Ų | 149 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -59.1 | 134.4 | 176.6 | -58.8 | 171.3 | 179.7 | 176.6 | 0 | 111 | ||||
| 1080 | S | 28.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -139.8 | 93.2 | 153.8 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1081 | S | 24 | Very low | 27.3 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -76.6 | 118.1 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1082 | L | 27.1 | Very low | 27.5 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 96.2 | 157.6 | -87.9 | 167.7 | 0 | 0 | 0 | 105.4 | ||||
| 1083 | V | 25.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | 63.3 | 102.3 | 61 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1084 | L | 25.6 | Very low | 27.6 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 28.2 | 136.3 | 145.1 | -72.9 | 152.7 | 0 | 0 | 0 | 119.7 | ||||
| 1085 | L | 26.4 | Very low | 28 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | -160.9 | 102.9 | 111 | -105.7 | 163.6 | 0 | 0 | 0 | 111.9 | |||||
| 1086 | S | 24 | Very low | 28 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | trans | -77.1 | 144.4 | 156.6 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | Y1088 | S1086-Y1088 PolarHBondContact O-N 3.28Š| ||
| 1087 | P | 30.2 | Very low | 28.1 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -75.6 | 118.3 | -177 | 29.3 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 1088 | Y | 28.4 | Very low | 28.4 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | trans | 47.9 | 107.9 | 147.4 | -67 | -92.9 | 0 | 0 | 0 | 120.3 | S1086 E1090 R1230 | S1086-Y1088 PolarHBondContact O-N 3.28Å; Y1088-E1090 HydrophobicContact CD1-CG 4.14Å; Y1088-R1230 PolarHBondContact OH-NH1 3.01Å | ||
| 1089 | T | 26.6 | Very low | 28.5 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -127.3 | 118 | 135.6 | 51.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1090 | E | 31.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -84.1 | 148.4 | 179.5 | -66.9 | -174.3 | 138.8 | 0 | 0 | 111.5 | Y1088 | Y1088-E1090 HydrophobicContact CD1-CG 4.14Š| ||
| 1091 | L | 26.8 | Very low | 28.9 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 88% | 0.88 | 73% | 0.732 | S | S | * | * | trans | -102.1 | 124.9 | 175.2 | -120.8 | 87.4 | 0 | 0 | 0 | 109.5 | ||||
| 1092 | E | 31.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | trans | -128.4 | 123.3 | 158.3 | -83.3 | -93.6 | 106.9 | 0 | 0 | 108.3 | ||||
| 1093 | K | 31.5 | Very low | 29.6 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | trans | 35.2 | 134.4 | 142.3 | -58.8 | 158.5 | -169 | 150.8 | 0 | 118.8 | ||||
| 1094 | K | 29.2 | Very low | 29.9 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 73% | 0.726 | 72% | 0.722 | S | S | * | * | cis | 133.6 | 145.6 | 19.2 | -143.9 | -170.7 | 164.7 | -136.7 | 0 | 104.4 | ||||
| 1095 | D | 32 | Very low | 30.2 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | 65.3 | 138.7 | 166.2 | -45.7 | -34.8 | 0 | 0 | 0 | 115.7 | ||||
| 1096 | S | 29.6 | Very low | 30.3 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | cis | -164.5 | 166.8 | -15.1 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1097 | N | 30.9 | Very low | 30.4 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 73 | 99.6 | 152.3 | -60.8 | -21.7 | 0 | 0 | 0 | 122.8 | ||||
| 1098 | A | 30.8 | Very low | 30.2 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | 102.7 | 148.3 | 107.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1099 | Y | 33 | Very low | 30 | Very low | 223 Ų | 223 | 132.1 Ų | 132.1 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | trans | 67.4 | 113.7 | 178.5 | -63 | -85.4 | 0 | 0 | 0 | 116.4 | ||||
| 1100 | S | 28.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | 95.3 | 130.4 | 49.4 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1101 | S | 33.4 | Very low | 29.7 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | cis | -155.8 | 153.8 | 22 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1102 | Q | 33.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | trans | 53.6 | 148.1 | 134 | -70.4 | 169.5 | -10 | 0 | 0 | 122.1 | ||||
| 1103 | F | 33.3 | Very low | 29 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | cis | -137.7 | 140.6 | -4.7 | -87.7 | -75 | 0 | 0 | 0 | 107.3 | ||||
| 1104 | S | 30.1 | Very low | 28.6 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | 68.5 | 141.4 | 80.1 | 111.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1105 | D | 32 | Very low | 28.4 | Very low | 129 Ų | 129 | 125 Ų | 125 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | cis | -148.2 | 140.9 | 1.8 | -81.6 | -58.3 | 0 | 0 | 0 | 109.3 | ||||
| 1106 | T | 28.3 | Very low | 28 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | 72.6 | 126.1 | 67.5 | 79.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1107 | S | 25.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 90.5 | 113.5 | 144.5 | -148.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 1108 | S | 26.5 | Very low | 28.2 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | 69.9 | 125 | 127.6 | 66.7 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 1109 | A | 25.1 | Very low | 28 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | 81.9 | 117.9 | 127.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1110 | A | 25.2 | Very low | 27.8 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | 48.6 | 127.5 | 137.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1111 | S | 25.9 | Very low | 27.7 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | 159.5 | 129.2 | 115.3 | -165.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1112 | L | 22.3 | Very low | 27.3 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 20.6 | 136.1 | 145.3 | -62.2 | 167 | 0 | 0 | 0 | 125.2 | ||||
| 1113 | F | 22.3 | Very low | 26.9 | Very low | 194 Ų | 194 | 130 Ų | 130 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | 79.6 | 133.2 | 139.3 | -80.5 | -54.9 | 0 | 0 | 0 | 124.9 | ||||
| 1114 | A | 23.4 | Very low | 26.6 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | 96.9 | 110.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1115 | M | 23.7 | Very low | 26.5 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 80.1 | 98.4 | 125.4 | -66.8 | -167.5 | 70.6 | 0 | 0 | 125.4 | |||||
| 1116 | T | 25 | Very low | 26.2 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | 65.8 | 140.8 | 128.7 | 45.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1117 | P | 34.3 | Very low | 26.2 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -119.5 | 174.7 | -178 | 44.6 | -35.8 | 0 | 0 | 0 | 117.3 | ||||
| 1118 | P | 29 | Very low | 26.1 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -108.3 | 131 | 160.1 | 35.7 | -25.4 | 0 | 0 | 0 | 112.8 | ||||
| 1119 | K | 26.7 | Very low | 26.2 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 81% | 0.809 | 76% | 0.759 | S | S | * | * | 71.6 | 101.4 | 77.8 | -69.3 | -178 | -179.6 | 179 | 0 | 117.2 | |||||
| 1120 | H | 29.5 | Very low | 26.1 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -179.4 | 130.7 | 108.9 | -104.5 | -99.4 | 0 | 0 | 0 | 111.2 | |||||
| 1121 | F | 26.1 | Very low | 26.2 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | 51.2 | 137.3 | 100.3 | -73.6 | -100.3 | 0 | 0 | 0 | 116.2 | |||||
| 1122 | S | 25.8 | Very low | 26 | Very low | 87 Ų | 87 | 152.7 Ų | 152.7 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | cis | 179.5 | 152.6 | -3.1 | 52.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1123 | K | 25 | Very low | 26.1 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 56.6 | 148.3 | 155 | -61.5 | 175.3 | 178.1 | -176.6 | 0 | 117.1 | ||||
| 1124 | Y | 27.4 | Very low | 26.2 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | cis | -149.4 | 147.5 | 39.7 | -90.6 | -86.6 | 0 | 0 | 0 | 110.5 | ||||
| 1125 | F | 26.2 | Very low | 26.2 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 42.7 | 148.7 | 102.5 | -72.2 | -105.6 | 0 | 0 | 0 | 117.8 | |||||
| 1126 | E | 25.8 | Very low | 26.3 | Very low | 148 Ų | 148 | 150 Ų | 150 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | -175.5 | 156.8 | -27.3 | -163.8 | 174.8 | -144.9 | 0 | 0 | 108.2 | ||||
| 1127 | T | 28.2 | Very low | 26.2 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 65.6 | 154.4 | 174.1 | 79.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1128 | G | 25.3 | Very low | 25.8 | Very low | 65 Ų | 65 | 150 Ų | 150 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | cis | 136 | 104.5 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1129 | K | 27.8 | Very low | 25.7 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 95% | 0.948 | 76% | 0.76 | S | S | * | * | trans | -161 | 159.1 | 162.1 | -108.4 | 147.4 | -169.5 | 172.8 | 0 | 112.5 | ||||
| 1130 | R | 24 | Very low | 25.7 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | -93.8 | 138.8 | -169.3 | -61.8 | 166.9 | 170.1 | 157.4 | -6.6 | 112.8 | ||||
| 1131 | T | 25.7 | Very low | 25.6 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | trans | -139.5 | 151.7 | 156.6 | -47 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1132 | K | 23.1 | Very low | 25.7 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -91 | 135.4 | -177.8 | -57.6 | 170.3 | -178.7 | 173.5 | 0 | 111.5 | ||||
| 1133 | V | 24.7 | Very low | 25.8 | Very low | 122 Ų | 122 | 147 Ų | 147 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -142.5 | 99.9 | 162.1 | -174.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1134 | I | 24.3 | Very low | 26 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 59.1 | 107 | 95.6 | -58.8 | 164.2 | 0 | 0 | 0 | 112.1 | L1136 | I1134-L1136 HydrophobicContact CG2-CG 4.15Å; I1134-L1136 PolarHBondContact O-N 3.11Å | |||
| 1135 | P | 23.6 | Very low | 26.2 | Very low | 129 Ų | 129 | 145 Ų | 145 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 113.4 | 164.1 | 30.8 | -30.1 | 0 | 0 | 0 | 108.6 | ||||
| 1136 | L | 25 | Very low | 26.4 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -100.1 | 131.8 | -179.2 | -114 | 165.9 | 0 | 0 | 0 | 110.6 | I1134 | I1134-L1136 HydrophobicContact CG2-CG 4.15Å; I1134-L1136 PolarHBondContact O-N 3.11Å | ||
| 1137 | T | 23.9 | Very low | 26.5 | Very low | 109 Ų | 109 | 145 Ų | 145 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -112.5 | 159.4 | 177.3 | -42.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1138 | I | 24.5 | Very low | 26.7 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | trans | 81.6 | 155.2 | 165.3 | -34.6 | 160.2 | 0 | 0 | 0 | 116.2 | ||||
| 1139 | F | 26.7 | Very low | 26.7 | Very low | 172 Ų | 172 | 149 Ų | 149 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 90.5 | 139.6 | 160.2 | -60.3 | -69.8 | 0 | 0 | 0 | 118.9 | ||||
| 1140 | T | 27.9 | Very low | 26.8 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 57% | 0.571 | 76% | 0.761 | S | S | * | * | cis | 178.6 | 159.4 | -35.1 | 24.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1141 | S | 27.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -138.8 | 121 | 137.6 | -64 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1142 | I | 26.8 | Very low | 26.8 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | cis | 83.8 | 111.4 | 43.5 | -61.1 | 171.3 | 0 | 0 | 0 | 113.2 | ||||
| 1143 | N | 29.8 | Very low | 27 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | -156.8 | 146.5 | 123.6 | -95.6 | -19.8 | 0 | 0 | 0 | 109.8 | |||||
| 1144 | Q | 28.9 | Very low | 27 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -110.8 | 171.4 | 176.2 | -56.5 | 175.3 | -86.6 | 0 | 0 | 108.5 | ||||
| 1145 | T | 31.1 | Very low | 27.2 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | -162.1 | 148.1 | 74 | 33.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1146 | N | 30.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | trans | 58.3 | 129.3 | 147.9 | -53.9 | 14.6 | 0 | 0 | 0 | 119 | ||||
| 1147 | E | 28.2 | Very low | 27.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | 67.1 | 128.3 | 59.7 | -68.5 | -173.2 | 164.1 | 0 | 0 | 112.9 | |||||
| 1148 | E | 30.6 | Very low | 27.7 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | cis | -145.4 | 156 | 19.2 | -74.3 | -163.7 | 83.1 | 0 | 0 | 116.3 | ||||
| 1149 | N | 25.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | 48.2 | 156.3 | 136.3 | -70.5 | -54.8 | 0 | 0 | 0 | 126.7 | ||||
| 1150 | F | 29.7 | Very low | 28 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | trans | 75.9 | 123.9 | 173.2 | -63.8 | -90.9 | 0 | 0 | 0 | 117.3 | ||||
| 1151 | K | 24.8 | Very low | 28 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | cis | 115.3 | 128.7 | 19.1 | -102.8 | -170.4 | 171.4 | 174.7 | 0 | 110.6 | ||||
| 1152 | S | 26.1 | Very low | 28.1 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 63.8 | 148.8 | 153.3 | 54.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1153 | T | 26 | Very low | 28.2 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | cis | -168.9 | 151.6 | -11.3 | 20.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1154 | N | 26.3 | Very low | 28.1 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | 64.2 | 161.7 | 150 | -66 | 27 | 0 | 0 | 0 | 116.8 | ||||
| 1155 | E | 27.6 | Very low | 28.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 57% | 0.57 | 71% | 0.706 | S | S | * | * | cis | -151.8 | 176.3 | -17.8 | -118.9 | 172.6 | 117.8 | 0 | 0 | 109.9 | ||||
| 1156 | K | 26.8 | Very low | 28.2 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | trans | 3.9 | 141.3 | 150.3 | -54.3 | 156.9 | 179.3 | 155.9 | 0 | 117.1 | ||||
| 1157 | H | 29 | Very low | 28.1 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | -173.6 | 150.7 | 71.3 | -101.6 | -79.6 | 0 | 0 | 0 | 113.5 | |||||
| 1158 | I | 26.6 | Very low | 28 | Very low | 125 Ų | 125 | 135 Ų | 135 | 64% | 0.641 | 70% | 0.697 | S | S | * | * | trans | 68.7 | 116.7 | 139.6 | -72.1 | 169 | 0 | 0 | 0 | 116.1 | ||||
| 1159 | L | 27.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 71% | 0.707 | 69% | 0.693 | S | S | * | * | 64.4 | 142.3 | 80 | -67.8 | 178.8 | 0 | 0 | 0 | 111.8 | |||||
| 1160 | D | 29.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 132 Ų | 132 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | cis | -134.3 | 143.3 | 18.2 | -84.9 | -55.6 | 0 | 0 | 0 | 110.4 | ||||
| 1161 | E | 28.2 | Very low | 27.4 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | 60.6 | 152.9 | 92 | -60.9 | -156.7 | 150.6 | 0 | 0 | 118.1 | |||||
| 1162 | N | 29.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | 81.4 | 132.4 | 165.7 | -59.7 | -69.8 | 0 | 0 | 0 | 117.7 | ||||
| 1163 | S | 29.6 | Very low | 27.6 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | cis | -158.6 | 176 | -10.1 | 60 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1164 | C | 27.1 | Very low | 27.8 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | trans | -40.2 | 167.7 | 167.5 | -43 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1165 | D | 28.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | cis | -177.5 | 168.7 | 40.1 | -153.4 | -3.4 | 0 | 0 | 0 | 112.7 | ||||
| 1166 | K | 33.2 | Very low | 28 | Very low | 157 Ų | 157 | 137 Ų | 137 | 68% | 0.683 | 72% | 0.715 | S | S | * | * | trans | 66.9 | 154.7 | 159.8 | -60.4 | 165.3 | -176.3 | 82.6 | 0 | 117.3 | ||||
| 1167 | N | 28.5 | Very low | 28 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | cis | -162.5 | 167.9 | -19.2 | -108.2 | -10.1 | 0 | 0 | 0 | 111.4 | ||||
| 1168 | L | 27.3 | Very low | 27.9 | Very low | 137 Ų | 137 | 136 Ų | 136 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 15 | 119.8 | 149.7 | -75.2 | 79.3 | 0 | 0 | 0 | 118.5 | ||||
| 1169 | S | 24.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | 80.3 | 148.3 | 57.2 | 80.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1170 | V | 23.7 | Very low | 28.3 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 93.3 | 130 | 162.9 | 178.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1171 | F | 24.5 | Very low | 28.6 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -14.4 | 144 | 160.8 | -66.3 | -106.8 | 0 | 0 | 0 | 120.5 | ||||
| 1172 | N | 26.8 | Very low | 28.7 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | 175.6 | 133.2 | 113.4 | -83.7 | -34.1 | 0 | 0 | 0 | 108.3 | |||||
| 1173 | I | 28.7 | Very low | 28.6 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | 49.3 | 110.3 | 71.1 | -54.6 | 179.7 | 0 | 0 | 0 | 113.1 | |||||
| 1174 | I | 30.4 | Very low | 28.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | trans | -151.3 | 141.8 | 149 | -101 | 147.4 | 0 | 0 | 0 | 108.5 | ||||
| 1175 | E | 26.5 | Very low | 28.5 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -133.5 | 115.3 | -174.9 | 170.8 | -174.2 | -139.5 | 0 | 0 | 108.1 | ||||
| 1176 | L | 31.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 80% | 0.801 | 72% | 0.723 | S | S | * | * | trans | -149.3 | 112.7 | 171.1 | -68.6 | 175.5 | 0 | 0 | 0 | 106.3 | ||||
| 1177 | Q | 26.4 | Very low | 28.6 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | 73.2 | 142.6 | 57 | -68.6 | -157.8 | -5.2 | 0 | 0 | 115.4 | |||||
| 1178 | S | 27 | Very low | 28.5 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 76.8 | 136.3 | 164.8 | -150.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1179 | D | 31.8 | Very low | 28.5 | Very low | 112 Ų | 112 | 139 Ų | 139 | 60% | 0.599 | 74% | 0.738 | S | S | * | * | cis | -157.1 | 147.8 | -12.9 | -133.9 | -27.6 | 0 | 0 | 0 | 112.8 | ||||
| 1180 | K | 30.9 | Very low | 28.8 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 62.2 | 161.4 | 151.1 | -79.6 | 153.4 | -165.9 | 136.3 | 0 | 124.2 | ||||
| 1181 | P | 36.4 | Very low | 29.2 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | trans | -125.6 | -151.1 | -169 | 43.8 | -25 | 0 | 0 | 0 | 112.8 | ||||
| 1182 | N | 28.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 85.8 | 143.6 | 177 | -56.6 | -25.8 | 0 | 0 | 0 | 114.2 | ||||
| 1183 | S | 28.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | cis | -176.7 | 168.8 | -8 | 47.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1184 | L | 28.4 | Very low | 29.5 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | trans | 72.1 | 123.8 | 157.6 | -70.3 | 160.7 | 0 | 0 | 0 | 114.6 | ||||
| 1185 | N | 27.1 | Very low | 29.4 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | 69.6 | 141.4 | 86.3 | -72.4 | 47 | 0 | 0 | 0 | 112.4 | |||||
| 1186 | D | 29.7 | Very low | 29.4 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -155.1 | -170.5 | 1.6 | -104.5 | -30.7 | 0 | 0 | 0 | 109.3 | ||||
| 1187 | E | 33.6 | Very low | 29.3 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | 74.7 | 140.7 | 161.9 | -56.8 | -168.3 | 130.3 | 0 | 0 | 119.5 | ||||
| 1188 | L | 27.2 | Very low | 29.4 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | 141.8 | 117.4 | -24.7 | 179.2 | 135.6 | 0 | 0 | 0 | 111.2 | ||||
| 1189 | N | 26.4 | Very low | 29.5 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 60.9 | 128.8 | 161.1 | -63.9 | -17.9 | 0 | 0 | 0 | 121.7 | ||||
| 1190 | G | 31.6 | Very low | 29.3 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 122.4 | 151.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1191 | T | 31.3 | Very low | 29.2 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | -154.2 | 143.7 | -12.2 | -72.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1192 | I | 26.9 | Very low | 28.9 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -14.1 | 131.4 | 161.9 | -57.6 | 157.2 | 0 | 0 | 0 | 116.4 | ||||
| 1193 | G | 32.1 | Very low | 28.9 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -168.7 | 98.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1194 | Q | 28.1 | Very low | 29.2 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -53.8 | 158.9 | 162.7 | -58.8 | 161.1 | -26.1 | 0 | 0 | 111.3 | ||||
| 1195 | F | 28.1 | Very low | 29.7 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | -166 | 164.9 | 58.5 | -125.2 | -83.7 | 0 | 0 | 0 | 113.5 | |||||
| 1196 | N | 27.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 148 | 172.5 | -57.5 | -71.7 | 0 | 0 | 0 | 113.1 | ||||
| 1197 | R | 29 | Very low | 30.3 | Very low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | 175.3 | 150.9 | 108.5 | -96.1 | 169.1 | -179.8 | 178.8 | 0.8 | 115.1 | |||||
| 1198 | N | 27.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -13.4 | 149.6 | 150.6 | -39.9 | -2.3 | 0 | 0 | 0 | 115.5 | ||||
| 1199 | S | 30.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | cis | -163.7 | 174.8 | 45.8 | 58.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1200 | F | 27 | Very low | 30.8 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -48.5 | 150.5 | 157.6 | -69.3 | -108.4 | 0 | 0 | 0 | 110.6 | ||||
| 1201 | D | 28.1 | Very low | 31 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | -169.8 | 162 | 72.2 | -154.2 | 4.6 | 0 | 0 | 0 | 113.9 | |||||
| 1202 | R | 31.3 | Very low | 31.1 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | trans | 65.2 | 136.2 | 159.6 | -71.2 | 161.1 | -144.8 | -104 | -15.3 | 123.8 | ||||
| 1203 | S | 29.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -72.5 | -176.9 | 170.9 | -21.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1204 | P | 34.5 | Very low | 31.1 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | cis | -140.3 | 176.3 | 15.3 | 42.5 | -22.5 | 0 | 0 | 0 | 119.4 | ||||
| 1205 | L | 38.8 | Very low | 31.3 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -59.7 | 173.9 | 154.4 | -90.6 | 155.3 | 0 | 0 | 0 | 112.1 | D1207 | L1205-D1207 WeakPolarHBondContact CD2-O 3.38Š| ||
| 1206 | P | 36.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -120.9 | -179.3 | 27.3 | 40.5 | -22.8 | 0 | 0 | 0 | 113.4 | ||||
| 1207 | D | 32.1 | Very low | 31.5 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | cis | -114.1 | -169.7 | 17 | -50.6 | -64.9 | 0 | 0 | 0 | 112.1 | L1205 | L1205-D1207 WeakPolarHBondContact CD2-O 3.38Š| ||
| 1208 | D | 35.7 | Very low | 31.6 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | cis | -153 | 178.2 | 13.3 | -164.5 | 6.5 | 0 | 0 | 0 | 111.6 | ||||
| 1209 | L | 32.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -81.4 | 141.6 | -172.2 | -61.8 | 158.7 | 0 | 0 | 0 | 112.6 | ||||
| 1210 | Y | 30.6 | Very low | 31.8 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | 67.7 | 149.4 | 40.2 | -84.3 | -112.3 | 0 | 0 | 0 | 115.8 | ||||
| 1211 | D | 35.1 | Very low | 32 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | -177.2 | 172.7 | -30.6 | 179 | 36.1 | 0 | 0 | 0 | 107.5 | ||||
| 1212 | G | 32.7 | Very low | 32.4 | Very low | 60 Ų | 60 | 140.6 Ų | 140.6 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | trans | 124.3 | 132.7 | 140.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1213 | S | 30.8 | Very low | 33 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -155.8 | 162 | -12.2 | 63 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1214 | L | 29.3 | Very low | 34.1 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | -139.9 | 128.5 | -179.7 | -140.4 | 171.5 | 0 | 0 | 0 | 110.2 | ||||
| 1215 | K | 31.6 | Very low | 34.8 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.726 | 74% | 0.738 | S | S | * | * | trans | -140.5 | 150 | 174.1 | -83.8 | 176.5 | 156.8 | -122.1 | 0 | 107.5 | ||||
| 1216 | E | 30.1 | Very low | 35.5 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | cis | -150.6 | 147.9 | 8.4 | -128 | 151.2 | -142.9 | 0 | 0 | 108.8 | ||||
| 1217 | L | 30.5 | Very low | 36.6 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 90% | 0.895 | 70% | 0.703 | S | S | * | * | trans | -157.5 | 107 | 171.3 | -139.3 | 169.8 | 0 | 0 | 0 | 110.5 | ||||
| 1218 | E | 31.4 | Very low | 37.7 | Very low | 174 Ų | 174 | 129 Ų | 129 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -81.6 | 125.2 | -174.6 | -76.9 | -165.1 | 112.6 | 0 | 0 | 114.3 | ||||
| 1219 | V | 29.1 | Very low | 39.1 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | trans | 45.7 | 107.6 | 133.8 | -168.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1220 | C | 30.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 125 Ų | 125 | 90% | 0.899 | 66% | 0.661 | S | S | * | * | trans | -127.5 | 131.9 | 132.9 | -83.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1221 | S | 32.5 | Very low | 42.2 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145.1 | -168.3 | -53 | 0 | 0 | 0 | 0 | 113.6 | M1223 | S1221-M1223 PolarHBondContact O-N 2.87Š|
| 1222 | P | 36 | Very low | 43.8 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.6 | 174.7 | 27.6 | -34 | 0 | 0 | 0 | 110.7 | N1224 | P1222-N1224 PolarHBondContact O-N 3.37Š|
| 1223 | M | 44.6 | Very low | 45.7 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.3 | 172 | 178.4 | 176.4 | -78.9 | 0 | 0 | 109.4 | S1221 F1225 T1227 F1228 | S1221-M1223 PolarHBondContact O-N 2.87Å; M1223-F1225 PolarHBondContact O-N 3.43Å; M1223-T1227 HydrophobicContact CE-CG2 4.29Å; M1223-T1227 HydrophobicContact CG-CG2 4.05Å; M1223-T1227 HydrophobicContact SD-CG2 4.03Å; M1223-F1228 HydrophobicContact SD-CB 4.39Å |
| 1224 | N | 51.6 | Low | 47.7 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 132.2 | 174.5 | 175 | -1.6 | 0 | 0 | 0 | 110.2 | P1222 E1226 T1227 F1228 | P1222-N1224 PolarHBondContact O-N 3.37Å; N1224-E1226 PolarHBondContact O-N 3.37Å; N1224-E1226 VanDerWaalsContact O-N 3.14Å; N1224-E1226 PolarHBondContact OD1-N 2.79Å; N1224-T1227 WeakPolarHBondContact O-CA 3.48Å; N1224-T1227 WeakPolarHBondContact O-CB 3.4Å; N1224-T1227 PolarHBondContact O-N 3.19Å; N1224-F1228 PolarHBondContact O-N 3.43Å |
| 1225 | F | 48.7 | Very low | 49.5 | Very low | 145 Ų | 145 | 114.1 Ų | 114.1 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -51.9 | -34.3 | 177 | -176.5 | -110.2 | 0 | 0 | 0 | 112.7 | M1223 F1228 L1229 | M1223-F1225 PolarHBondContact O-N 3.43Å; F1225-F1228 WeakPolarHBondContact O-CB 3.32Å; F1225-F1228 PolarHBondContact O-N 2.88Å; F1225-L1229 HydrophobicContact CD1-CD1 3.89Å; F1225-L1229 HydrophobicContact CD1-CG 4.49Å; F1225-L1229 HydrophobicContact CE1-CD1 3.54Å; F1225-L1229 HydrophobicContact CE1-CG 4.24Å; F1225-L1229 HydrophobicContact CZ-CD1 4.05Å; F1225-L1229 HydrophobicContact CZ-CG 4.34Å; F1225-L1229 WeakPolarHBondContact O-CG 3.46Å; F1225-L1229 PolarHBondContact O-N 3.01Å |
| 1226 | E | 53 | Low | 51 | Low | 93 Ų | 93 | 109.8 Ų | 109.8 | 44% | 0.435 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.5 | -38.6 | 174.4 | -153.4 | -156 | 138.8 | 0 | 0 | 112.4 | N1224 F1228 L1229 R1230 | N1224-E1226 PolarHBondContact O-N 3.37Å; N1224-E1226 VanDerWaalsContact O-N 3.14Å; N1224-E1226 PolarHBondContact OD1-N 2.79Å; E1226-F1228 VanDerWaalsContact C-N 3.33Å; E1226-L1229 PolarHBondContact O-N 3.1Å; E1226-R1230 WeakPolarHBondContact O-CB 3.24Å; E1226-R1230 VanDerWaalsContact O-CG 3.31Å; E1226-R1230 WeakPolarHBondContact O-CG 3.08Å; E1226-R1230 PolarHBondContact O-N 3.41Å; E1226-R1230 IonicContact OE1-CZ 2.71Å; E1226-R1230 IonicContact OE1-NE 3.96Å; E1226-R1230 PolarHBondContact OE1-NE 2.74Å; E1226-R1230 IonicContact OE1-NH2 2.75Å; E1226-R1230 PolarHBondContact OE1-NH2 2.86Å |
| 1227 | T | 60.5 | Low | 53 | Low | 45 Ų | 45 | 105.8 Ų | 105.8 | 28% | 0.276 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.2 | -36.9 | 173.9 | -48.7 | 0 | 0 | 0 | 0 | 111.4 | M1223 N1224 R1230 H1231 | M1223-T1227 HydrophobicContact CE-CG2 4.29Å; M1223-T1227 HydrophobicContact CG-CG2 4.05Å; M1223-T1227 HydrophobicContact SD-CG2 4.03Å; N1224-T1227 WeakPolarHBondContact O-CA 3.48Å; N1224-T1227 WeakPolarHBondContact O-CB 3.4Å; N1224-T1227 PolarHBondContact O-N 3.19Å; T1227-R1230 PolarHBondContact O-N 3.42Å; T1227-H1231 PolarHBondContact O-N 2.84Å; T1227-H1231 PolarHBondContact O-ND1 3.28Å |
| 1228 | F | 55.9 | Low | 54.7 | Low | 106 Ų | 106 | 103.5 Ų | 103.5 | 47% | 0.465 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.5 | -46.4 | 172.7 | 179.6 | -105.5 | 0 | 0 | 0 | 111.7 | M1223 N1224 F1225 E1226 R1230 H1231 I1232 | M1223-F1228 HydrophobicContact SD-CB 4.39Å; N1224-F1228 PolarHBondContact O-N 3.43Å; F1225-F1228 WeakPolarHBondContact O-CB 3.32Å; F1225-F1228 PolarHBondContact O-N 2.88Å; E1226-F1228 VanDerWaalsContact C-N 3.33Å; F1228-R1230 PolarHBondContact O-N 3.44Å; F1228-H1231 PolarHBondContact O-N 3.42Å; F1228-I1232 HydrophobicContact CD1-CD1 4.01Å; F1228-I1232 HydrophobicContact CE1-CD1 3.44Å; F1228-I1232 VanDerWaalsContact CE1-CD1 3.44Å; F1228-I1232 HydrophobicContact CE2-CD1 4.26Å; F1228-I1232 HydrophobicContact CZ-CD1 3.6Å; F1228-I1232 HydrophobicContact CZ-CG1 4.48Å; F1228-I1232 PolarHBondContact O-N 2.95Å |
| 1229 | L | 63.2 | Low | 56.6 | Low | 77 Ų | 77 | 98.8 Ų | 98.8 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.4 | -73.7 | 175.1 | 0 | 0 | 0 | 112.9 | F1225 E1226 I1232 T1233 | F1225-L1229 HydrophobicContact CD1-CD1 3.89Å; F1225-L1229 HydrophobicContact CD1-CG 4.49Å; F1225-L1229 HydrophobicContact CE1-CD1 3.54Å; F1225-L1229 HydrophobicContact CE1-CG 4.24Å; F1225-L1229 HydrophobicContact CZ-CD1 4.05Å; F1225-L1229 HydrophobicContact CZ-CG 4.34Å; F1225-L1229 WeakPolarHBondContact O-CG 3.46Å; F1225-L1229 PolarHBondContact O-N 3.01Å; E1226-L1229 PolarHBondContact O-N 3.1Å; L1229-I1232 PolarHBondContact O-N 3.19Å; L1229-T1233 WeakPolarHBondContact O-CB 3.36Å; L1229-T1233 PolarHBondContact O-N 3.08Å; L1229-T1233 PolarHBondContact O-OG1 2.82Å |
| 1230 | R | 67.5 | Low | 58.6 | Low | 127 Ų | 127 | 98.4 Ų | 98.4 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 173.3 | -72.6 | 178.7 | -171.3 | -161.4 | 8.4 | 111.3 | Y1088 E1226 T1227 F1228 T1233 L1234 | Y1088-R1230 PolarHBondContact OH-NH1 3.01Å; E1226-R1230 WeakPolarHBondContact O-CB 3.24Å; E1226-R1230 VanDerWaalsContact O-CG 3.31Å; E1226-R1230 WeakPolarHBondContact O-CG 3.08Å; E1226-R1230 PolarHBondContact O-N 3.41Å; E1226-R1230 IonicContact OE1-CZ 2.71Å; E1226-R1230 IonicContact OE1-NE 3.96Å; E1226-R1230 PolarHBondContact OE1-NE 2.74Å; E1226-R1230 IonicContact OE1-NH2 2.75Å; E1226-R1230 PolarHBondContact OE1-NH2 2.86Å; T1227-R1230 PolarHBondContact O-N 3.42Å; F1228-R1230 PolarHBondContact O-N 3.44Å; R1230-T1233 PolarHBondContact O-N 2.94Å; R1230-L1234 WeakPolarHBondContact O-CB 3.23Å; R1230-L1234 PolarHBondContact O-N 2.92Å |
| 1231 | H | 62.3 | Low | 60.8 | Low | 93 Ų | 93 | 97.2 Ų | 97.2 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 174 | -85.7 | 133 | 0 | 0 | 0 | 113.1 | T1227 F1228 T1233 L1234 I1235 | T1227-H1231 PolarHBondContact O-N 2.84Å; T1227-H1231 PolarHBondContact O-ND1 3.28Å; F1228-H1231 PolarHBondContact O-N 3.42Å; H1231-T1233 VanDerWaalsContact C-N 3.29Å; H1231-T1233 PolarHBondContact O-N 2.91Å; H1231-L1234 PolarHBondContact O-N 3.45Å; H1231-I1235 WeakPolarHBondContact O-CG1 3.25Å; H1231-I1235 PolarHBondContact O-N 2.96Å |
| 1232 | I | 67.9 | Low | 62.5 | Low | 72 Ų | 72 | 97.6 Ų | 97.6 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.5 | -73.5 | 179.2 | 0 | 0 | 0 | 110.6 | F1228 L1229 L1234 I1235 C1236 | F1228-I1232 HydrophobicContact CD1-CD1 4.01Å; F1228-I1232 HydrophobicContact CE1-CD1 3.44Å; F1228-I1232 VanDerWaalsContact CE1-CD1 3.44Å; F1228-I1232 HydrophobicContact CE2-CD1 4.26Å; F1228-I1232 HydrophobicContact CZ-CD1 3.6Å; F1228-I1232 HydrophobicContact CZ-CG1 4.48Å; F1228-I1232 PolarHBondContact O-N 2.95Å; L1229-I1232 PolarHBondContact O-N 3.19Å; I1232-L1234 VanDerWaalsContact C-N 3.35Å; I1232-L1234 PolarHBondContact O-N 3.28Å; I1232-I1235 PolarHBondContact O-N 3.03Å; I1232-C1236 WeakPolarHBondContact O-CB 3.3Å; I1232-C1236 PolarHBondContact O-N 2.8Å; I1232-C1236 PolarHBondContact O-SG 3.05Å |
| 1233 | T | 73 | Confident | 64.3 | Low | 84 Ų | 84 | 95.3 Ų | 95.3 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | L1229 R1230 H1231 I1235 C1236 T1237 | L1229-T1233 WeakPolarHBondContact O-CB 3.36Å; L1229-T1233 PolarHBondContact O-N 3.08Å; L1229-T1233 PolarHBondContact O-OG1 2.82Å; R1230-T1233 PolarHBondContact O-N 2.94Å; H1231-T1233 VanDerWaalsContact C-N 3.29Å; H1231-T1233 PolarHBondContact O-N 2.91Å; T1233-I1235 VanDerWaalsContact C-N 3.35Å; T1233-I1235 PolarHBondContact O-N 3.49Å; T1233-C1236 PolarHBondContact O-N 2.92Å; T1233-T1237 PolarHBondContact O-N 2.99Å; T1233-T1237 PolarHBondContact O-OG1 3.08Å |
| 1234 | L | 72.6 | Confident | 65.7 | Low | 108 Ų | 108 | 94.7 Ų | 94.7 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -35.8 | 177.8 | -170.3 | 71.6 | 0 | 0 | 0 | 112.7 | R1230 H1231 I1232 T1237 K1238 | R1230-L1234 WeakPolarHBondContact O-CB 3.23Å; R1230-L1234 PolarHBondContact O-N 2.92Å; H1231-L1234 PolarHBondContact O-N 3.45Å; I1232-L1234 VanDerWaalsContact C-N 3.35Å; I1232-L1234 PolarHBondContact O-N 3.28Å; L1234-T1237 PolarHBondContact O-OG1 2.93Å; L1234-K1238 WeakPolarHBondContact O-CB 3.47Å; L1234-K1238 PolarHBondContact O-N 3.32Å; L1234-K1238 VanDerWaalsContact O-N 3.14Å |
| 1235 | I | 66.4 | Low | 66.8 | Low | 105 Ų | 105 | 92.2 Ų | 92.2 | 54% | 0.538 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.3 | -46.9 | 173.7 | -68.5 | 164.2 | 0 | 0 | 0 | 109.8 | H1231 I1232 T1233 T1237 K1238 V1239 | H1231-I1235 WeakPolarHBondContact O-CG1 3.25Å; H1231-I1235 PolarHBondContact O-N 2.96Å; I1232-I1235 PolarHBondContact O-N 3.03Å; T1233-I1235 VanDerWaalsContact C-N 3.35Å; T1233-I1235 PolarHBondContact O-N 3.49Å; I1235-T1237 PolarHBondContact O-N 3.4Å; I1235-K1238 WeakPolarHBondContact O-CB 3.29Å; I1235-K1238 PolarHBondContact O-N 2.93Å; I1235-V1239 HydrophobicContact CG2-CG2 4.44Å; I1235-V1239 WeakPolarHBondContact O-CG2 3.22Å; I1235-V1239 PolarHBondContact O-N 3.3Å |
| 1236 | C | 63.4 | Low | 67.9 | Low | 76 Ų | 76 | 91.4 Ų | 91.4 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 178.3 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | I1232 T1233 V1239 N1240 | I1232-C1236 WeakPolarHBondContact O-CB 3.3Å; I1232-C1236 PolarHBondContact O-N 2.8Å; I1232-C1236 PolarHBondContact O-SG 3.05Å; T1233-C1236 PolarHBondContact O-N 2.92Å; C1236-V1239 PolarHBondContact O-N 2.82Å; C1236-N1240 PolarHBondContact O-N 3.34Å |
| 1237 | T | 71.4 | Confident | 69 | Low | 64 Ų | 64 | 92.1 Ų | 92.1 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -43 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | T1233 L1234 I1235 V1239 N1240 E1241 | T1233-T1237 PolarHBondContact O-N 2.99Å; T1233-T1237 PolarHBondContact O-OG1 3.08Å; L1234-T1237 PolarHBondContact O-OG1 2.93Å; I1235-T1237 PolarHBondContact O-N 3.4Å; T1237-V1239 VanDerWaalsContact C-N 3.32Å; T1237-V1239 PolarHBondContact O-N 2.86Å; T1237-N1240 PolarHBondContact O-N 3.41Å; T1237-N1240 VanDerWaalsContact O-N 3.13Å; T1237-E1241 WeakPolarHBondContact O-CG 3.27Å; T1237-E1241 PolarHBondContact O-N 2.95Å |
| 1238 | K | 67.4 | Low | 69.9 | Low | 123 Ų | 123 | 96.3 Ų | 96.3 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 177.3 | -146.1 | 87.8 | -175.4 | 171.4 | 0 | 113 | L1234 I1235 N1242 | L1234-K1238 WeakPolarHBondContact O-CB 3.47Å; L1234-K1238 PolarHBondContact O-N 3.32Å; L1234-K1238 VanDerWaalsContact O-N 3.14Å; I1235-K1238 WeakPolarHBondContact O-CB 3.29Å; I1235-K1238 PolarHBondContact O-N 2.93Å; K1238-N1242 PolarHBondContact O-N 3.02Å; K1238-N1242 VanDerWaalsContact O-N 3.16Å; K1238-N1242 PolarHBondContact O-ND2 2.96Å |
| 1239 | V | 71 | Confident | 70.8 | Confident | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | I1235 C1236 T1237 N1242 I1243 | I1235-V1239 HydrophobicContact CG2-CG2 4.44Å; I1235-V1239 WeakPolarHBondContact O-CG2 3.22Å; I1235-V1239 PolarHBondContact O-N 3.3Å; C1236-V1239 PolarHBondContact O-N 2.82Å; T1237-V1239 VanDerWaalsContact C-N 3.32Å; T1237-V1239 PolarHBondContact O-N 2.86Å; V1239-N1242 PolarHBondContact O-N 2.83Å; V1239-I1243 HydrophobicContact CG1-CD1 3.85Å; V1239-I1243 VanDerWaalsContact O-CG1 3.31Å; V1239-I1243 WeakPolarHBondContact O-CG1 3.21Å; V1239-I1243 PolarHBondContact O-N 3.38Å |
| 1240 | N | 71.6 | Confident | 71.3 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.4 | -119 | 16.1 | 0 | 0 | 0 | 112.7 | C1236 T1237 N1242 I1243 L1244 | C1236-N1240 PolarHBondContact O-N 3.34Å; T1237-N1240 PolarHBondContact O-N 3.41Å; T1237-N1240 VanDerWaalsContact O-N 3.13Å; N1240-N1242 VanDerWaalsContact C-N 3.34Å; N1240-N1242 PolarHBondContact O-N 2.65Å; N1240-I1243 PolarHBondContact O-N 3.05Å; N1240-L1244 PolarHBondContact O-N 3.09Å |
| 1241 | E | 76.2 | Confident | 71.9 | Confident | 109 Ų | 109 | 98.3 Ų | 98.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 172.6 | -73.6 | 169.5 | 174 | 0 | 0 | 111.1 | T1237 L1244 A1245 | T1237-E1241 WeakPolarHBondContact O-CG 3.27Å; T1237-E1241 PolarHBondContact O-N 2.95Å; E1241-L1244 PolarHBondContact O-N 3.18Å; E1241-A1245 WeakPolarHBondContact O-CB 3.43Å; E1241-A1245 PolarHBondContact O-N 3.08Å |
| 1242 | N | 68.1 | Low | 72.6 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -36.4 | 177.1 | -74.9 | -34.6 | 0 | 0 | 0 | 113.1 | K1238 V1239 N1240 H1246 | K1238-N1242 PolarHBondContact O-N 3.02Å; K1238-N1242 VanDerWaalsContact O-N 3.16Å; K1238-N1242 PolarHBondContact O-ND2 2.96Å; V1239-N1242 PolarHBondContact O-N 2.83Å; N1240-N1242 VanDerWaalsContact C-N 3.34Å; N1240-N1242 PolarHBondContact O-N 2.65Å; N1242-H1246 WeakPolarHBondContact O-CB 3.31Å; N1242-H1246 PolarHBondContact O-N 3.31Å |
| 1243 | I | 73.2 | Confident | 72.6 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 41% | 0.41 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.8 | -70.2 | 165.3 | 0 | 0 | 0 | 110.6 | V1239 N1240 H1246 Q1247 | V1239-I1243 HydrophobicContact CG1-CD1 3.85Å; V1239-I1243 VanDerWaalsContact O-CG1 3.31Å; V1239-I1243 WeakPolarHBondContact O-CG1 3.21Å; V1239-I1243 PolarHBondContact O-N 3.38Å; N1240-I1243 PolarHBondContact O-N 3.05Å; I1243-H1246 PolarHBondContact O-N 2.95Å; I1243-Q1247 WeakPolarHBondContact O-CG 3.34Å; I1243-Q1247 PolarHBondContact O-N 3.28Å |
| 1244 | L | 75.7 | Confident | 73 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 174.8 | -90 | 156.3 | 0 | 0 | 0 | 111.8 | N1240 E1241 H1246 Q1247 E1248 | N1240-L1244 PolarHBondContact O-N 3.09Å; E1241-L1244 PolarHBondContact O-N 3.18Å; L1244-H1246 VanDerWaalsContact C-N 3.26Å; L1244-H1246 PolarHBondContact O-N 3.08Å; L1244-Q1247 PolarHBondContact O-N 3Å; L1244-Q1247 VanDerWaalsContact O-N 3.08Å; L1244-E1248 PolarHBondContact O-N 3.2Å |
| 1245 | A | 74.4 | Confident | 73.3 | Confident | 43 Ų | 43 | 104.4 Ų | 104.4 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1241 E1248 L1249 | E1241-A1245 WeakPolarHBondContact O-CB 3.43Å; E1241-A1245 PolarHBondContact O-N 3.08Å; A1245-E1248 PolarHBondContact O-N 3.08Å; A1245-L1249 WeakPolarHBondContact O-CG 3.3Å; A1245-L1249 PolarHBondContact O-N 3.21Å |
| 1246 | H | 72 | Confident | 73.8 | Confident | 128 Ų | 128 | 104.4 Ų | 104.4 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.5 | -35.1 | 175.4 | -159.9 | -58.1 | 0 | 0 | 0 | 112.4 | N1242 I1243 L1244 E1250 | N1242-H1246 WeakPolarHBondContact O-CB 3.31Å; N1242-H1246 PolarHBondContact O-N 3.31Å; I1243-H1246 PolarHBondContact O-N 2.95Å; L1244-H1246 VanDerWaalsContact C-N 3.26Å; L1244-H1246 PolarHBondContact O-N 3.08Å; H1246-E1250 WeakPolarHBondContact O-CB 3.26Å; H1246-E1250 PolarHBondContact O-N 2.85Å |
| 1247 | Q | 76.3 | Confident | 74.3 | Confident | 107 Ų | 107 | 105.4 Ų | 105.4 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 173.6 | -72.6 | 177.5 | -4.1 | 0 | 0 | 112 | I1243 L1244 L1249 E1250 Q1251 | I1243-Q1247 WeakPolarHBondContact O-CG 3.34Å; I1243-Q1247 PolarHBondContact O-N 3.28Å; L1244-Q1247 PolarHBondContact O-N 3Å; L1244-Q1247 VanDerWaalsContact O-N 3.08Å; Q1247-L1249 PolarHBondContact O-N 3.28Å; Q1247-E1250 PolarHBondContact O-N 2.73Å; Q1247-Q1251 WeakPolarHBondContact O-CG 3.41Å; Q1247-Q1251 PolarHBondContact O-N 3.31Å |
| 1248 | E | 78.8 | Confident | 74.8 | Confident | 134 Ų | 134 | 108.7 Ų | 108.7 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 174.1 | -71.4 | -171.6 | 164.6 | 0 | 0 | 112.4 | L1244 A1245 Q1251 R1252 | L1244-E1248 PolarHBondContact O-N 3.2Å; A1245-E1248 PolarHBondContact O-N 3.08Å; E1248-Q1251 PolarHBondContact O-N 3.18Å; E1248-R1252 WeakPolarHBondContact O-CB 3.27Å; E1248-R1252 PolarHBondContact O-N 3.21Å |
| 1249 | L | 73.8 | Confident | 75.5 | Confident | 113 Ų | 113 | 107.8 Ų | 107.8 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 174 | -75.4 | 169 | 0 | 0 | 0 | 112 | A1245 Q1247 R1252 W1253 | A1245-L1249 WeakPolarHBondContact O-CG 3.3Å; A1245-L1249 PolarHBondContact O-N 3.21Å; Q1247-L1249 PolarHBondContact O-N 3.28Å; L1249-R1252 PolarHBondContact O-N 3.34Å; L1249-W1253 WeakPolarHBondContact O-CB 3.32Å; L1249-W1253 PolarHBondContact O-N 3.38Å |
| 1250 | E | 75.1 | Confident | 75.7 | Confident | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.4 | -169.7 | 169.8 | -159 | 0 | 0 | 111.7 | H1246 Q1247 W1253 I1254 | H1246-E1250 WeakPolarHBondContact O-CB 3.26Å; H1246-E1250 PolarHBondContact O-N 2.85Å; Q1247-E1250 PolarHBondContact O-N 2.73Å; E1250-W1253 PolarHBondContact O-N 3.41Å; E1250-I1254 HydrophobicContact CG-CD1 4.26Å; E1250-I1254 VanDerWaalsContact O-CG1 3.3Å; E1250-I1254 WeakPolarHBondContact O-CG1 3.46Å; E1250-I1254 PolarHBondContact O-N 3.19Å |
| 1251 | Q | 80.4 | Confident | 76 | Confident | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 174.2 | -68.5 | -61 | -34.5 | 0 | 0 | 112.5 | Q1247 E1248 W1253 I1254 S1255 | Q1247-Q1251 WeakPolarHBondContact O-CG 3.41Å; Q1247-Q1251 PolarHBondContact O-N 3.31Å; E1248-Q1251 PolarHBondContact O-N 3.18Å; Q1251-W1253 VanDerWaalsContact C-N 3.33Å; Q1251-W1253 PolarHBondContact O-N 3.02Å; Q1251-I1254 PolarHBondContact O-N 2.93Å; Q1251-S1255 PolarHBondContact O-N 3.32Å |
| 1252 | R | 76.8 | Confident | 76.3 | Confident | 187 Ų | 187 | 105.2 Ų | 105.2 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 172.7 | -85.5 | -178.8 | 162 | 174 | -3.9 | 112 | E1248 L1249 I1254 S1255 L1256 | E1248-R1252 WeakPolarHBondContact O-CB 3.27Å; E1248-R1252 PolarHBondContact O-N 3.21Å; L1249-R1252 PolarHBondContact O-N 3.34Å; R1252-I1254 VanDerWaalsContact C-N 3.33Å; R1252-I1254 PolarHBondContact O-N 3.06Å; R1252-S1255 PolarHBondContact O-N 2.83Å; R1252-L1256 WeakPolarHBondContact O-CG 3.32Å; R1252-L1256 PolarHBondContact O-N 3.05Å |
| 1253 | W | 67.8 | Low | 76.7 | Confident | 159 Ų | 159 | 105 Ų | 105 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | 177.3 | -168.2 | 86 | 0 | 0 | 0 | 112.1 | L1249 E1250 Q1251 L1256 Q1257 | L1249-W1253 WeakPolarHBondContact O-CB 3.32Å; L1249-W1253 PolarHBondContact O-N 3.38Å; E1250-W1253 PolarHBondContact O-N 3.41Å; Q1251-W1253 VanDerWaalsContact C-N 3.33Å; Q1251-W1253 PolarHBondContact O-N 3.02Å; W1253-L1256 PolarHBondContact O-N 2.79Å; W1253-Q1257 HydrophobicContact CD2-CG 4.03Å; W1253-Q1257 HydrophobicContact CE3-CG 3.74Å; W1253-Q1257 HydrophobicContact CH2-CG 3.82Å; W1253-Q1257 HydrophobicContact CZ2-CG 4.1Å; W1253-Q1257 VanDerWaalsContact CZ2-NE2 3.34Å; W1253-Q1257 HydrophobicContact CZ3-CG 3.63Å; W1253-Q1257 WeakPolarHBondContact O-CB 3.47Å; W1253-Q1257 VanDerWaalsContact O-CG 3.24Å; W1253-Q1257 WeakPolarHBondContact O-CG 3.47Å; W1253-Q1257 PolarHBondContact O-N 3.17Å |
| 1254 | I | 80.1 | Confident | 76.8 | Confident | 82 Ų | 82 | 107.4 Ų | 107.4 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 173.4 | -68.4 | 164.2 | 0 | 0 | 0 | 111.7 | E1250 Q1251 R1252 Q1257 K1258 | E1250-I1254 HydrophobicContact CG-CD1 4.26Å; E1250-I1254 VanDerWaalsContact O-CG1 3.3Å; E1250-I1254 WeakPolarHBondContact O-CG1 3.46Å; E1250-I1254 PolarHBondContact O-N 3.19Å; Q1251-I1254 PolarHBondContact O-N 2.93Å; R1252-I1254 VanDerWaalsContact C-N 3.33Å; R1252-I1254 PolarHBondContact O-N 3.06Å; I1254-Q1257 PolarHBondContact O-N 3.35Å; I1254-K1258 PolarHBondContact O-N 2.88Å; I1254-K1258 VanDerWaalsContact O-N 3.1Å |
| 1255 | S | 80.1 | Confident | 77.1 | Confident | 57 Ų | 57 | 107.6 Ų | 107.6 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.1 | -160.8 | 0 | 0 | 0 | 0 | 111.5 | Q1251 R1252 Q1257 K1258 E1259 | Q1251-S1255 PolarHBondContact O-N 3.32Å; R1252-S1255 PolarHBondContact O-N 2.83Å; S1255-Q1257 VanDerWaalsContact C-N 3.35Å; S1255-Q1257 PolarHBondContact O-N 3.03Å; S1255-K1258 WeakPolarHBondContact O-CA 3.44Å; S1255-K1258 WeakPolarHBondContact O-CB 3.38Å; S1255-K1258 PolarHBondContact O-N 3.47Å; S1255-E1259 PolarHBondContact O-N 3.32Å; S1255-E1259 PolarHBondContact OG-OE1 3.29Å |
| 1256 | L | 75.3 | Confident | 77.2 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | 178.2 | -69.5 | 167.8 | 0 | 0 | 0 | 112.6 | R1252 W1253 K1258 L1260 | R1252-L1256 WeakPolarHBondContact O-CG 3.32Å; R1252-L1256 PolarHBondContact O-N 3.05Å; W1253-L1256 PolarHBondContact O-N 2.79Å; L1256-K1258 VanDerWaalsContact C-N 3.27Å; L1256-K1258 PolarHBondContact O-N 3.1Å; L1256-L1260 VanDerWaalsContact O-CB 3.23Å; L1256-L1260 WeakPolarHBondContact O-CB 3.5Å; L1256-L1260 PolarHBondContact O-N 3.16Å |
| 1257 | Q | 74.7 | Confident | 77.4 | Confident | 97 Ų | 97 | 108.7 Ų | 108.7 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 171.3 | -75.6 | -83.1 | -52.6 | 0 | 0 | 111.8 | W1253 I1254 S1255 S1261 | W1253-Q1257 HydrophobicContact CD2-CG 4.03Å; W1253-Q1257 HydrophobicContact CE3-CG 3.74Å; W1253-Q1257 HydrophobicContact CH2-CG 3.82Å; W1253-Q1257 HydrophobicContact CZ2-CG 4.1Å; W1253-Q1257 VanDerWaalsContact CZ2-NE2 3.34Å; W1253-Q1257 HydrophobicContact CZ3-CG 3.63Å; W1253-Q1257 WeakPolarHBondContact O-CB 3.47Å; W1253-Q1257 VanDerWaalsContact O-CG 3.24Å; W1253-Q1257 WeakPolarHBondContact O-CG 3.47Å; W1253-Q1257 PolarHBondContact O-N 3.17Å; I1254-Q1257 PolarHBondContact O-N 3.35Å; S1255-Q1257 VanDerWaalsContact C-N 3.35Å; S1255-Q1257 PolarHBondContact O-N 3.03Å; Q1257-S1261 WeakPolarHBondContact O-CB 3.24Å; Q1257-S1261 PolarHBondContact O-N 3.29Å; Q1257-S1261 PolarHBondContact O-OG 2.96Å |
| 1258 | K | 81.7 | Confident | 77.2 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.8 | -51.4 | 178.3 | -166.3 | -163.1 | 170.4 | -155.7 | 0 | 111.4 | I1254 S1255 L1256 L1260 S1261 D1262 | I1254-K1258 PolarHBondContact O-N 2.88Å; I1254-K1258 VanDerWaalsContact O-N 3.1Å; S1255-K1258 WeakPolarHBondContact O-CA 3.44Å; S1255-K1258 WeakPolarHBondContact O-CB 3.38Å; S1255-K1258 PolarHBondContact O-N 3.47Å; L1256-K1258 VanDerWaalsContact C-N 3.27Å; L1256-K1258 PolarHBondContact O-N 3.1Å; K1258-L1260 VanDerWaalsContact C-N 3.27Å; K1258-L1260 PolarHBondContact O-N 2.84Å; K1258-S1261 CarbonylContact O-C 3.57Å; K1258-S1261 WeakPolarHBondContact O-CA 3.34Å; K1258-S1261 VanDerWaalsContact O-CB 3.32Å; K1258-S1261 WeakPolarHBondContact O-CB 3.3Å; K1258-S1261 PolarHBondContact O-N 3.37Å; K1258-D1262 WeakPolarHBondContact CE-OD2 3.49Å; K1258-D1262 IonicContact NZ-OD2 3.34Å; K1258-D1262 PolarHBondContact O-N 3.04Å |
| 1259 | E | 81.4 | Confident | 77.2 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -54.6 | -43.1 | 177.1 | -72.2 | 159.9 | -145.4 | 0 | 0 | 111.7 | S1255 S1261 D1262 L1263 | S1255-E1259 PolarHBondContact O-N 3.32Å; S1255-E1259 PolarHBondContact OG-OE1 3.29Å; E1259-S1261 PolarHBondContact O-N 3.05Å; E1259-D1262 PolarHBondContact O-N 3.01Å; E1259-L1263 VanDerWaalsContact O-CB 3.3Å; E1259-L1263 WeakPolarHBondContact O-CB 3.49Å; E1259-L1263 PolarHBondContact O-N 3.35Å |
| 1260 | L | 75.9 | Confident | 77.1 | Confident | 96 Ų | 96 | 105 Ų | 105 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.6 | -13.4 | 177.4 | -165.8 | 135.5 | 0 | 0 | 0 | 113.7 | L1256 K1258 K1264 | L1256-L1260 VanDerWaalsContact O-CB 3.23Å; L1256-L1260 WeakPolarHBondContact O-CB 3.5Å; L1256-L1260 PolarHBondContact O-N 3.16Å; K1258-L1260 VanDerWaalsContact C-N 3.27Å; K1258-L1260 PolarHBondContact O-N 2.84Å; L1260-K1264 HydrophobicContact CD2-CD 4.47Å; L1260-K1264 WeakPolarHBondContact O-CD 3.21Å; L1260-K1264 VanDerWaalsContact O-CG 3.31Å; L1260-K1264 WeakPolarHBondContact O-CG 3.37Å |
| 1261 | S | 78.7 | Confident | 77 | Confident | 64 Ų | 64 | 103.4 Ų | 103.4 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -87.3 | -43.5 | 170 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | Q1257 K1258 E1259 L1263 K1264 L1265 | Q1257-S1261 WeakPolarHBondContact O-CB 3.24Å; Q1257-S1261 PolarHBondContact O-N 3.29Å; Q1257-S1261 PolarHBondContact O-OG 2.96Å; K1258-S1261 CarbonylContact O-C 3.57Å; K1258-S1261 WeakPolarHBondContact O-CA 3.34Å; K1258-S1261 VanDerWaalsContact O-CB 3.32Å; K1258-S1261 WeakPolarHBondContact O-CB 3.3Å; K1258-S1261 PolarHBondContact O-N 3.37Å; E1259-S1261 PolarHBondContact O-N 3.05Å; S1261-L1263 VanDerWaalsContact C-N 3.35Å; S1261-K1264 WeakPolarHBondContact O-CB 3.21Å; S1261-K1264 PolarHBondContact O-N 3.12Å; S1261-L1265 PolarHBondContact O-N 3.44Å |
| 1262 | D | 81.7 | Confident | 76.7 | Confident | 72 Ų | 72 | 102 Ų | 102 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 176.6 | -64.1 | -18 | 0 | 0 | 0 | 110.4 | K1258 E1259 K1264 L1265 N1266 | K1258-D1262 WeakPolarHBondContact CE-OD2 3.49Å; K1258-D1262 IonicContact NZ-OD2 3.34Å; K1258-D1262 PolarHBondContact O-N 3.04Å; E1259-D1262 PolarHBondContact O-N 3.01Å; D1262-K1264 VanDerWaalsContact C-N 3.34Å; D1262-K1264 PolarHBondContact O-N 3.31Å; D1262-L1265 WeakPolarHBondContact O-CB 3.24Å; D1262-L1265 PolarHBondContact O-N 2.95Å; D1262-N1266 PolarHBondContact O-N 3.12Å |
| 1263 | L | 76.6 | Confident | 76.4 | Confident | 105 Ų | 105 | 100.3 Ų | 100.3 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 172.2 | -167.5 | 78.4 | 0 | 0 | 0 | 112.3 | E1259 S1261 L1265 N1266 I1267 | E1259-L1263 VanDerWaalsContact O-CB 3.3Å; E1259-L1263 WeakPolarHBondContact O-CB 3.49Å; E1259-L1263 PolarHBondContact O-N 3.35Å; S1261-L1263 VanDerWaalsContact C-N 3.35Å; L1263-L1265 VanDerWaalsContact C-N 3.35Å; L1263-N1266 PolarHBondContact O-N 3.4Å; L1263-I1267 HydrophobicContact CG-CD1 4.18Å; L1263-I1267 VanDerWaalsContact O-CG1 3.29Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.44Å; L1263-I1267 PolarHBondContact O-N 2.97Å |
| 1264 | K | 76.2 | Confident | 76 | Confident | 132 Ų | 132 | 99.5 Ų | 99.5 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.3 | -34.5 | 175.5 | -77.6 | 172 | -177.2 | 168.9 | 0 | 112.2 | L1260 S1261 D1262 Q1268 | L1260-K1264 HydrophobicContact CD2-CD 4.47Å; L1260-K1264 WeakPolarHBondContact O-CD 3.21Å; L1260-K1264 VanDerWaalsContact O-CG 3.31Å; L1260-K1264 WeakPolarHBondContact O-CG 3.37Å; S1261-K1264 WeakPolarHBondContact O-CB 3.21Å; S1261-K1264 PolarHBondContact O-N 3.12Å; D1262-K1264 VanDerWaalsContact C-N 3.34Å; D1262-K1264 PolarHBondContact O-N 3.31Å; K1264-Q1268 WeakPolarHBondContact O-CB 3.48Å; K1264-Q1268 PolarHBondContact O-N 2.89Å |
| 1265 | L | 81.6 | Confident | 74.5 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 174.1 | -159 | 80.1 | 0 | 0 | 0 | 110.3 | S1261 D1262 L1263 I1267 Q1268 E1269 | S1261-L1265 PolarHBondContact O-N 3.44Å; D1262-L1265 WeakPolarHBondContact O-CB 3.24Å; D1262-L1265 PolarHBondContact O-N 2.95Å; L1263-L1265 VanDerWaalsContact C-N 3.35Å; L1265-I1267 PolarHBondContact O-N 3.27Å; L1265-Q1268 CarbonylContact O-C 3.58Å; L1265-Q1268 WeakPolarHBondContact O-CB 3.41Å; L1265-Q1268 PolarHBondContact O-N 3.24Å; L1265-Q1268 VanDerWaalsContact O-N 3.12Å; L1265-E1269 PolarHBondContact O-N 3.05Å |
| 1266 | N | 76.2 | Confident | 74.2 | Confident | 100 Ų | 100 | 104.4 Ų | 104.4 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 177.4 | -72.5 | -8.9 | 0 | 0 | 0 | 112.4 | D1262 L1263 Q1268 E1269 T1270 | D1262-N1266 PolarHBondContact O-N 3.12Å; L1263-N1266 PolarHBondContact O-N 3.4Å; N1266-Q1268 VanDerWaalsContact C-N 3.32Å; N1266-Q1268 PolarHBondContact O-N 3.46Å; N1266-E1269 PolarHBondContact O-N 3.24Å; N1266-T1270 PolarHBondContact O-N 2.98Å; N1266-T1270 PolarHBondContact O-OG1 3.23Å |
| 1267 | I | 75.3 | Confident | 74.2 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.1 | -68.5 | 164.6 | 0 | 0 | 0 | 111.2 | L1263 L1265 E1269 T1270 V1271 | L1263-I1267 HydrophobicContact CG-CD1 4.18Å; L1263-I1267 VanDerWaalsContact O-CG1 3.29Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.44Å; L1263-I1267 PolarHBondContact O-N 2.97Å; L1265-I1267 PolarHBondContact O-N 3.27Å; I1267-E1269 VanDerWaalsContact C-N 3.31Å; I1267-T1270 PolarHBondContact O-OG1 3.03Å; I1267-V1271 HydrophobicContact CG2-CG2 4.48Å; I1267-V1271 WeakPolarHBondContact O-CB 3.38Å; I1267-V1271 VanDerWaalsContact O-CG2 3.24Å; I1267-V1271 WeakPolarHBondContact O-CG2 3.44Å; I1267-V1271 PolarHBondContact O-N 3.35Å; I1267-V1271 VanDerWaalsContact O-N 3.07Å |
| 1268 | Q | 74.1 | Confident | 74.1 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 175.4 | -169.4 | 67.8 | 78.7 | 0 | 0 | 111.5 | K1264 L1265 N1266 N1272 | K1264-Q1268 WeakPolarHBondContact O-CB 3.48Å; K1264-Q1268 PolarHBondContact O-N 2.89Å; L1265-Q1268 CarbonylContact O-C 3.58Å; L1265-Q1268 WeakPolarHBondContact O-CB 3.41Å; L1265-Q1268 PolarHBondContact O-N 3.24Å; L1265-Q1268 VanDerWaalsContact O-N 3.12Å; N1266-Q1268 VanDerWaalsContact C-N 3.32Å; N1266-Q1268 PolarHBondContact O-N 3.46Å; Q1268-N1272 PolarHBondContact NE2-OD1 3.37Å; Q1268-N1272 VanDerWaalsContact O-CB 3.26Å; Q1268-N1272 WeakPolarHBondContact O-CB 3.39Å; Q1268-N1272 PolarHBondContact O-N 2.87Å; Q1268-N1272 VanDerWaalsContact O-N 3.09Å; Q1268-N1272 PolarHBondContact O-ND2 2.85Å; Q1268-N1272 PolarHBondContact O-OD1 2.92Å |
| 1269 | E | 78.1 | Confident | 73.7 | Confident | 91 Ų | 91 | 103.1 Ų | 103.1 | 43% | 0.425 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.2 | -35.2 | 176.7 | -78.6 | -162.8 | -160.2 | 0 | 0 | 114.3 | L1265 N1266 I1267 K1273 | L1265-E1269 PolarHBondContact O-N 3.05Å; N1266-E1269 PolarHBondContact O-N 3.24Å; I1267-E1269 VanDerWaalsContact C-N 3.31Å; E1269-K1273 WeakPolarHBondContact O-CD 3.36Å; E1269-K1273 VanDerWaalsContact O-CG 3.27Å; E1269-K1273 WeakPolarHBondContact O-CG 3.49Å; E1269-K1273 PolarHBondContact O-N 3.09Å; E1269-K1273 IonicContact OE2-NZ 2.75Å; E1269-K1273 PolarHBondContact OE2-NZ 3.32Å |
| 1270 | T | 72.3 | Confident | 73.2 | Confident | 74 Ų | 74 | 103 Ų | 103 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -46.6 | 171.1 | 43.3 | 0 | 0 | 0 | 0 | 110.9 | N1266 I1267 N1272 K1273 D1274 | N1266-T1270 PolarHBondContact O-N 2.98Å; N1266-T1270 PolarHBondContact O-OG1 3.23Å; I1267-T1270 PolarHBondContact O-OG1 3.03Å; T1270-N1272 PolarHBondContact O-N 3.2Å; T1270-N1272 VanDerWaalsContact O-N 3.15Å; T1270-K1273 WeakPolarHBondContact O-CA 3.4Å; T1270-K1273 PolarHBondContact O-N 3.41Å; T1270-D1274 PolarHBondContact O-N 3.5Å |
| 1271 | V | 72.5 | Confident | 73 | Confident | 80 Ų | 80 | 103.5 Ų | 103.5 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.3 | -29.6 | 176 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | I1267 S1275 | I1267-V1271 HydrophobicContact CG2-CG2 4.48Å; I1267-V1271 WeakPolarHBondContact O-CB 3.38Å; I1267-V1271 VanDerWaalsContact O-CG2 3.24Å; I1267-V1271 WeakPolarHBondContact O-CG2 3.44Å; I1267-V1271 PolarHBondContact O-N 3.35Å; I1267-V1271 VanDerWaalsContact O-N 3.07Å; V1271-S1275 VanDerWaalsContact O-CB 3.3Å; V1271-S1275 WeakPolarHBondContact O-CB 3.48Å; V1271-S1275 PolarHBondContact O-OG 3.48Å |
| 1272 | N | 73.7 | Confident | 72.6 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -3.6 | 174.1 | -67.8 | -3.2 | 0 | 0 | 0 | 114.4 | Q1268 T1270 | Q1268-N1272 PolarHBondContact NE2-OD1 3.37Å; Q1268-N1272 VanDerWaalsContact O-CB 3.26Å; Q1268-N1272 WeakPolarHBondContact O-CB 3.39Å; Q1268-N1272 PolarHBondContact O-N 2.87Å; Q1268-N1272 VanDerWaalsContact O-N 3.09Å; Q1268-N1272 PolarHBondContact O-ND2 2.85Å; Q1268-N1272 PolarHBondContact O-OD1 2.92Å; T1270-N1272 PolarHBondContact O-N 3.2Å; T1270-N1272 VanDerWaalsContact O-N 3.15Å |
| 1273 | K | 70.1 | Confident | 71.9 | Confident | 150 Ų | 150 | 108.9 Ų | 108.9 | 65% | 0.652 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -26.7 | 173.2 | -76.5 | 166.9 | -173.9 | 157.1 | 0 | 111.8 | E1269 T1270 S1275 | E1269-K1273 WeakPolarHBondContact O-CD 3.36Å; E1269-K1273 VanDerWaalsContact O-CG 3.27Å; E1269-K1273 WeakPolarHBondContact O-CG 3.49Å; E1269-K1273 PolarHBondContact O-N 3.09Å; E1269-K1273 IonicContact OE2-NZ 2.75Å; E1269-K1273 PolarHBondContact OE2-NZ 3.32Å; T1270-K1273 WeakPolarHBondContact O-CA 3.4Å; T1270-K1273 PolarHBondContact O-N 3.41Å; K1273-S1275 VanDerWaalsContact C-N 3.29Å |
| 1274 | D | 59.6 | Low | 71.5 | Confident | 142 Ų | 142 | 109.3 Ų | 109.3 | 76% | 0.759 | 58% | 0.575 | S | S | * | * | trans | -86.1 | 5.6 | 174.3 | -58.5 | -32.8 | 0 | 0 | 0 | 112.9 | T1270 | T1270-D1274 PolarHBondContact O-N 3.5Š| ||
| 1275 | S | 48.6 | Very low | 71.1 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 97% | 0.965 | 58% | 0.575 | S | S | * | * | trans | -123.1 | 0 | -175.3 | 74.7 | 0 | 0 | 0 | 0 | 114.3 | V1271 K1273 | V1271-S1275 VanDerWaalsContact O-CB 3.3Å; V1271-S1275 WeakPolarHBondContact O-CB 3.48Å; V1271-S1275 PolarHBondContact O-OG 3.48Å; K1273-S1275 VanDerWaalsContact C-N 3.29Å |
Retrieved 1,275 of 1,275 residues in 1279.1 ms
(Link to these results)