| 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 | 51.2 | Low | 82.3 | Confident | 238 Ų | 238 | 75.2 Ų | 75.2 | 100% | 1.172 | 41% | 0.414 | S | S | * | . | 0 | 127.9 | 0 | -82 | -171.9 | -91.6 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.35Š| |||
| 2 | E | 69.1 | Low | 82.7 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | trans | -55 | 137.2 | 167.5 | -109.1 | -179.4 | 163.3 | 0 | 0 | 108.5 | A6 N10 | E2-A6 HydrophobicContact CB-CB 4.46Å; E2-A6 HydrophobicContact CG-CB 4.04Å; E2-N10 PolarHBondContact OE1-ND2 3.35Å | ||
| 3 | T | 81.8 | Confident | 83 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | trans | -61.5 | 147.5 | 171.9 | 57.7 | 0 | 0 | 0 | 0 | 108.1 | M1 V5 A6 S7 | M1-T3 PolarHBondContact O-N 3.35Å; T3-V5 PolarHBondContact O-N 3.43Å; T3-V5 VanDerWaalsContact O-N 3.09Å; T3-A6 WeakPolarHBondContact O-CB 3.34Å; T3-A6 PolarHBondContact O-N 3.28Å; T3-A6 WeakPolarHBondContact OG1-CB 3.2Å; T3-A6 PolarHBondContact OG1-N 3.31Å; T3-S7 PolarHBondContact O-N 3.45Å | ||
| 4 | V | 86.2 | Confident | 83.4 | Confident | 119 Ų | 119 | 83.7 Ų | 83.7 | 72% | 0.721 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -51.2 | -38.2 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | S7 V8 | V4-S7 PolarHBondContact O-N 3.12Å; V4-V8 HydrophobicContact CG1-CG2 4.25Å; V4-V8 WeakPolarHBondContact O-CB 3.47Å; V4-V8 WeakPolarHBondContact O-CG2 3.31Å; V4-V8 PolarHBondContact O-N 3.41Å |
| 5 | V | 86.9 | Confident | 83.6 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | T3 Y9 L109 H110 | T3-V5 PolarHBondContact O-N 3.43Å; T3-V5 VanDerWaalsContact O-N 3.09Å; V5-Y9 VanDerWaalsContact O-CB 3.25Å; V5-Y9 WeakPolarHBondContact O-CB 3.3Å; V5-Y9 PolarHBondContact O-N 3.14Å; V5-L109 HydrophobicContact CG1-CB 4.32Å; V5-L109 HydrophobicContact CG1-CD2 3.98Å; V5-L109 HydrophobicContact CG1-CG 3.85Å; V5-L109 HydrophobicContact CG2-CD2 4.28Å; V5-H110 HydrophobicContact CG1-CB 4.01Å |
| 6 | A | 86.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 5% | 0.05 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E2 T3 Y9 N10 | E2-A6 HydrophobicContact CB-CB 4.46Å; E2-A6 HydrophobicContact CG-CB 4.04Å; T3-A6 WeakPolarHBondContact O-CB 3.34Å; T3-A6 PolarHBondContact O-N 3.28Å; T3-A6 WeakPolarHBondContact OG1-CB 3.2Å; T3-A6 PolarHBondContact OG1-N 3.31Å; A6-Y9 PolarHBondContact O-N 3.34Å; A6-N10 WeakPolarHBondContact O-CB 3.22Å; A6-N10 VanDerWaalsContact O-CG 3.27Å; A6-N10 PolarHBondContact O-N 2.88Å; A6-N10 PolarHBondContact O-ND2 2.93Å |
| 7 | S | 87.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | T3 V4 S11 | T3-S7 PolarHBondContact O-N 3.45Å; V4-S7 PolarHBondContact O-N 3.12Å; S7-S11 WeakPolarHBondContact O-CB 3.48Å; S7-S11 PolarHBondContact O-N 3.25Å; S7-S11 PolarHBondContact O-OG 3.29Å |
| 8 | V | 89.9 | Confident | 84 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V4 S11 W12 L106 | V4-V8 HydrophobicContact CG1-CG2 4.25Å; V4-V8 WeakPolarHBondContact O-CB 3.47Å; V4-V8 WeakPolarHBondContact O-CG2 3.31Å; V4-V8 PolarHBondContact O-N 3.41Å; V8-S11 PolarHBondContact O-N 3.49Å; V8-W12 VanDerWaalsContact O-CD1 3.3Å; V8-W12 PolarHBondContact O-N 3.29Å; V8-W12 VanDerWaalsContact O-N 3.11Å; V8-L106 HydrophobicContact CG1-CD1 3.9Å; V8-L106 HydrophobicContact CG1-CD2 4.12Å |
| 9 | Y | 89.1 | Confident | 84.2 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 21% | 0.208 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.7 | 170.9 | -112.3 | 0 | 0 | 0 | 112.2 | V5 A6 S11 W12 R13 S103 L106 G107 H110 | V5-Y9 VanDerWaalsContact O-CB 3.25Å; V5-Y9 WeakPolarHBondContact O-CB 3.3Å; V5-Y9 PolarHBondContact O-N 3.14Å; A6-Y9 PolarHBondContact O-N 3.34Å; Y9-S11 VanDerWaalsContact C-N 3.31Å; Y9-S11 PolarHBondContact O-N 3.31Å; Y9-W12 PolarHBondContact O-N 3.38Å; Y9-R13 WeakPolarHBondContact O-CB 3.09Å; Y9-R13 PolarHBondContact O-N 2.8Å; Y9-S103 WeakPolarHBondContact CD2-O 3.09Å; Y9-S103 WeakPolarHBondContact CE2-O 3.43Å; Y9-L106 HydrophobicContact CD2-CB 3.81Å; Y9-L106 HydrophobicContact CG-CB 4.43Å; Y9-G107 VanDerWaalsContact CD2-N 3.3Å; Y9-H110 AromaticContact CD1-ND1 3.9Å |
| 10 | N | 87.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.4 | -71.3 | -27 | 0 | 0 | 0 | 111.2 | E2 A6 W12 R13 D14 | E2-N10 PolarHBondContact OE1-ND2 3.35Å; A6-N10 WeakPolarHBondContact O-CB 3.22Å; A6-N10 VanDerWaalsContact O-CG 3.27Å; A6-N10 PolarHBondContact O-N 2.88Å; A6-N10 PolarHBondContact O-ND2 2.93Å; N10-W12 PolarHBondContact O-N 3.1Å; N10-R13 PolarHBondContact O-N 3.09Å; N10-D14 WeakPolarHBondContact O-CB 3.34Å; N10-D14 PolarHBondContact O-N 3.37Å |
| 11 | S | 88.8 | Confident | 84.6 | Confident | 65 Ų | 65 | 72 Ų | 72 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 178.5 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | S7 V8 Y9 D14 V15 | S7-S11 WeakPolarHBondContact O-CB 3.48Å; S7-S11 PolarHBondContact O-N 3.25Å; S7-S11 PolarHBondContact O-OG 3.29Å; V8-S11 PolarHBondContact O-N 3.49Å; Y9-S11 VanDerWaalsContact C-N 3.31Å; Y9-S11 PolarHBondContact O-N 3.31Å; S11-D14 PolarHBondContact O-N 3.44Å; S11-V15 VanDerWaalsContact O-CG2 3.32Å; S11-V15 WeakPolarHBondContact O-CG2 3.48Å; S11-V15 PolarHBondContact O-N 3.21Å; S11-V15 VanDerWaalsContact O-N 3.11Å |
| 12 | W | 87.6 | Confident | 86.4 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.4 | -32.6 | 178.1 | -79.1 | 104.3 | 0 | 0 | 0 | 113.3 | V8 Y9 N10 A16 F17 P102 L106 | V8-W12 VanDerWaalsContact O-CD1 3.3Å; V8-W12 PolarHBondContact O-N 3.29Å; V8-W12 VanDerWaalsContact O-N 3.11Å; Y9-W12 PolarHBondContact O-N 3.38Å; N10-W12 PolarHBondContact O-N 3.1Å; W12-A16 PolarHBondContact O-N 3.34Å; W12-F17 HydrophobicContact CZ3-CD2 4Å; W12-F17 HydrophobicContact CZ3-CE2 4.44Å; W12-P102 HydrophobicContact CD2-CG 3.66Å; W12-P102 HydrophobicContact CE3-CG 3.6Å; W12-P102 HydrophobicContact CG-CG 4.1Å; W12-P102 HydrophobicContact CH2-CG 4.49Å; W12-P102 HydrophobicContact CZ3-CG 4.04Å; W12-L106 HydrophobicContact CB-CD1 4.13Å; W12-L106 VanDerWaalsContact CD1-CD1 3.4Å; W12-L106 HydrophobicContact CG-CD1 3.93Å |
| 13 | R | 86.9 | Confident | 87.4 | Confident | 125 Ų | 125 | 65 Ų | 65 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 173.5 | -171.1 | -170.4 | 67.4 | -167 | -5.7 | 111.2 | Y9 N10 A16 | Y9-R13 WeakPolarHBondContact O-CB 3.09Å; Y9-R13 PolarHBondContact O-N 2.8Å; N10-R13 PolarHBondContact O-N 3.09Å; R13-A16 PolarHBondContact O-N 2.91Å; R13-A16 VanDerWaalsContact O-N 3.14Å |
| 14 | D | 87.9 | Confident | 87.9 | Confident | 117 Ų | 117 | 63.8 Ų | 63.8 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.9 | -29.6 | -178.2 | -64.4 | -11.4 | 0 | 0 | 0 | 112.3 | N10 S11 A16 | N10-D14 WeakPolarHBondContact O-CB 3.34Å; N10-D14 PolarHBondContact O-N 3.37Å; S11-D14 PolarHBondContact O-N 3.44Å; D14-A16 PolarHBondContact O-N 2.8Å |
| 15 | V | 86.2 | Confident | 88.1 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 47% | 0.473 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -21.3 | 170.4 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | S11 L20 | S11-V15 VanDerWaalsContact O-CG2 3.32Å; S11-V15 WeakPolarHBondContact O-CG2 3.48Å; S11-V15 PolarHBondContact O-N 3.21Å; S11-V15 VanDerWaalsContact O-N 3.11Å; V15-L20 HydrophobicContact CG1-CD2 4.18Å |
| 16 | A | 86.5 | Confident | 88.4 | Confident | 38 Ų | 38 | 64 Ų | 64 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 63.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W12 R13 D14 G18 D19 L20 | W12-A16 PolarHBondContact O-N 3.34Å; R13-A16 PolarHBondContact O-N 2.91Å; R13-A16 VanDerWaalsContact O-N 3.14Å; D14-A16 PolarHBondContact O-N 2.8Å; A16-G18 PolarHBondContact O-N 3.24Å; A16-D19 HydrophobicContact CB-CB 4.25Å; A16-D19 WeakPolarHBondContact O-CA 3.33Å; A16-D19 PolarHBondContact O-N 3.29Å; A16-L20 PolarHBondContact O-N 3.32Å; A16-L20 VanDerWaalsContact O-N 3.1Å |
| 17 | F | 86.2 | Confident | 88.7 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -51.1 | -35.4 | -170.4 | -174.9 | -108.4 | 0 | 0 | 0 | 114.1 | W12 D19 L20 Q21 L99 D101 | W12-F17 HydrophobicContact CZ3-CD2 4Å; W12-F17 HydrophobicContact CZ3-CE2 4.44Å; F17-D19 PolarHBondContact O-N 3.42Å; F17-L20 HydrophobicContact CD2-CD2 4.29Å; F17-L20 WeakPolarHBondContact O-CB 3.44Å; F17-L20 PolarHBondContact O-N 2.95Å; F17-Q21 HydrophobicContact CD1-CG 4.22Å; F17-Q21 HydrophobicContact CE1-CG 3.91Å; F17-Q21 HydrophobicContact CZ-CG 4.06Å; F17-Q21 WeakPolarHBondContact O-CG 3.18Å; F17-Q21 PolarHBondContact O-N 2.68Å; F17-L99 WeakPolarHBondContact CE1-O 3.43Å; F17-L99 HydrophobicContact CZ-CB 4.16Å; F17-D101 HydrophobicContact CD1-CB 3.95Å |
| 18 | G | 86.1 | Confident | 88.9 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A16 Q21 K22 | A16-G18 PolarHBondContact O-N 3.24Å; G18-Q21 PolarHBondContact O-N 3.48Å; G18-K22 WeakPolarHBondContact O-CG 3.49Å; G18-K22 PolarHBondContact O-N 3.18Å; G18-K22 VanDerWaalsContact O-N 3.07Å |
| 19 | D | 88.2 | Confident | 88.9 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.6 | -32.3 | 175.7 | -66.7 | -27.1 | 0 | 0 | 0 | 111.6 | A16 F17 K22 T23 | A16-D19 HydrophobicContact CB-CB 4.25Å; A16-D19 WeakPolarHBondContact O-CA 3.33Å; A16-D19 PolarHBondContact O-N 3.29Å; F17-D19 PolarHBondContact O-N 3.42Å; D19-K22 PolarHBondContact O-N 3.32Å; D19-K22 IonicContact OD1-NZ 2.96Å; D19-K22 PolarHBondContact OD1-NZ 2.9Å; D19-T23 WeakPolarHBondContact O-CB 3.33Å; D19-T23 PolarHBondContact O-N 3.26Å; D19-T23 PolarHBondContact O-OG1 3.35Å |
| 20 | L | 87.8 | Confident | 89.1 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 168 | -179.5 | 63.8 | 0 | 0 | 0 | 111 | V15 A16 F17 T23 L24 | V15-L20 HydrophobicContact CG1-CD2 4.18Å; A16-L20 PolarHBondContact O-N 3.32Å; A16-L20 VanDerWaalsContact O-N 3.1Å; F17-L20 HydrophobicContact CD2-CD2 4.29Å; F17-L20 WeakPolarHBondContact O-CB 3.44Å; F17-L20 PolarHBondContact O-N 2.95Å; L20-T23 PolarHBondContact O-N 3Å; L20-L24 HydrophobicContact CD1-CD1 4.37Å; L20-L24 HydrophobicContact CD1-CG 4.33Å; L20-L24 HydrophobicContact CG-CD1 4.06Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.32Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.84Å |
| 21 | Q | 88.9 | Confident | 89.2 | Confident | 34 Ų | 34 | 68 Ų | 68 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.4 | -77.8 | -178 | -38.5 | 0 | 0 | 112.2 | F17 G18 T23 L24 E25 L96 I97 L99 | F17-Q21 HydrophobicContact CD1-CG 4.22Å; F17-Q21 HydrophobicContact CE1-CG 3.91Å; F17-Q21 HydrophobicContact CZ-CG 4.06Å; F17-Q21 WeakPolarHBondContact O-CG 3.18Å; F17-Q21 PolarHBondContact O-N 2.68Å; G18-Q21 PolarHBondContact O-N 3.48Å; Q21-T23 VanDerWaalsContact C-N 3.32Å; Q21-T23 PolarHBondContact O-N 3Å; Q21-L24 PolarHBondContact O-N 3.41Å; Q21-E25 WeakPolarHBondContact O-CB 3.35Å; Q21-E25 PolarHBondContact O-N 2.99Å; Q21-L96 PolarHBondContact NE2-O 3.1Å; Q21-I97 HydrophobicContact CB-CD1 4.05Å; Q21-I97 HydrophobicContact CG-CD1 4.34Å; Q21-L99 PolarHBondContact NE2-O 3.11Å |
| 22 | K | 89.4 | Confident | 89.2 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60 | -41.6 | 175.3 | -69.9 | 171.2 | -160.5 | 156 | 0 | 112.4 | G18 D19 E25 S26 | G18-K22 WeakPolarHBondContact O-CG 3.49Å; G18-K22 PolarHBondContact O-N 3.18Å; G18-K22 VanDerWaalsContact O-N 3.07Å; D19-K22 PolarHBondContact O-N 3.32Å; D19-K22 IonicContact OD1-NZ 2.96Å; D19-K22 PolarHBondContact OD1-NZ 2.9Å; K22-E25 PolarHBondContact O-N 3.13Å; K22-S26 WeakPolarHBondContact O-CB 3.42Å; K22-S26 PolarHBondContact O-N 2.93Å |
| 23 | T | 89.9 | Confident | 89.4 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | D19 L20 Q21 E25 S26 V27 | D19-T23 WeakPolarHBondContact O-CB 3.33Å; D19-T23 PolarHBondContact O-N 3.26Å; D19-T23 PolarHBondContact O-OG1 3.35Å; L20-T23 PolarHBondContact O-N 3Å; Q21-T23 VanDerWaalsContact C-N 3.32Å; Q21-T23 PolarHBondContact O-N 3Å; T23-E25 VanDerWaalsContact C-N 3.35Å; T23-E25 PolarHBondContact O-N 2.72Å; T23-S26 PolarHBondContact O-N 3.44Å; T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 2.95Å; T23-V27 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 90.8 | Very high | 89.4 | Confident | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 178 | -70.2 | 170.1 | 0 | 0 | 0 | 112 | L20 Q21 V27 A28 Y89 Y93 L96 | L20-L24 HydrophobicContact CD1-CD1 4.37Å; L20-L24 HydrophobicContact CD1-CG 4.33Å; L20-L24 HydrophobicContact CG-CD1 4.06Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.32Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.84Å; Q21-L24 PolarHBondContact O-N 3.41Å; L24-V27 PolarHBondContact O-N 3.4Å; L24-A28 WeakPolarHBondContact O-CB 3.17Å; L24-A28 PolarHBondContact O-N 2.86Å; L24-Y89 VanDerWaalsContact CA-OH 3.26Å; L24-Y89 WeakPolarHBondContact CA-OH 3.34Å; L24-Y89 HydrophobicContact CD2-CE2 4.15Å; L24-Y89 VanDerWaalsContact CD2-OH 3.29Å; L24-Y89 WeakPolarHBondContact CD2-OH 3.4Å; L24-Y89 PolarHBondContact O-OH 3.48Å; L24-Y93 HydrophobicContact CB-CD2 3.88Å; L24-Y93 HydrophobicContact CB-CE2 4.42Å; L24-L96 HydrophobicContact CD1-CB 4.17Å; L24-L96 HydrophobicContact CD1-CD1 3.76Å |
| 25 | E | 91.2 | Very high | 89.4 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.3 | -177.4 | 167.1 | -154.2 | 0 | 0 | 112.3 | Q21 K22 T23 V27 A28 C29 Y93 | Q21-E25 WeakPolarHBondContact O-CB 3.35Å; Q21-E25 PolarHBondContact O-N 2.99Å; K22-E25 PolarHBondContact O-N 3.13Å; T23-E25 VanDerWaalsContact C-N 3.35Å; T23-E25 PolarHBondContact O-N 2.72Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 3.24Å; E25-A28 PolarHBondContact O-N 3.36Å; E25-C29 PolarHBondContact O-N 2.93Å; E25-C29 PolarHBondContact O-SG 3.38Å; E25-Y93 VanDerWaalsContact CA-CE2 3.45Å; E25-Y93 HydrophobicContact CB-CE2 3.81Å; E25-Y93 HydrophobicContact CG-CE2 4.44Å; E25-Y93 WeakPolarHBondContact CG-OH 3.46Å |
| 26 | S | 93.1 | Very high | 89.5 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | K22 T23 C29 E30 | K22-S26 WeakPolarHBondContact O-CB 3.42Å; K22-S26 PolarHBondContact O-N 2.93Å; T23-S26 PolarHBondContact O-N 3.44Å; S26-C29 PolarHBondContact O-N 3.41Å; S26-E30 WeakPolarHBondContact O-CG 3.3Å; S26-E30 PolarHBondContact O-N 3.31Å |
| 27 | V | 92.5 | Very high | 89.6 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 178.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | T23 L24 E25 E30 L31 Y89 | T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 2.95Å; T23-V27 VanDerWaalsContact O-N 3.12Å; L24-V27 PolarHBondContact O-N 3.4Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 3.24Å; V27-E30 PolarHBondContact O-N 2.92Å; V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 PolarHBondContact O-N 2.9Å; V27-Y89 HydrophobicContact CB-CE1 4.19Å; V27-Y89 VanDerWaalsContact CB-OH 3.28Å; V27-Y89 WeakPolarHBondContact CB-OH 3.5Å; V27-Y89 HydrophobicContact CG1-CE1 3.7Å; V27-Y89 HydrophobicContact CG1-CE2 4.04Å; V27-Y89 VanDerWaalsContact CG1-CZ 3.45Å; V27-Y89 WeakPolarHBondContact CG1-OH 3.37Å |
| 28 | A | 92.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L24 E25 L31 T32 Y89 L90 Y93 | L24-A28 WeakPolarHBondContact O-CB 3.17Å; L24-A28 PolarHBondContact O-N 2.86Å; E25-A28 PolarHBondContact O-N 3.36Å; A28-L31 WeakPolarHBondContact O-CB 3.34Å; A28-L31 PolarHBondContact O-N 3.11Å; A28-T32 PolarHBondContact O-N 3.43Å; A28-T32 PolarHBondContact O-OG1 3.18Å; A28-Y89 HydrophobicContact CB-CE1 4.2Å; A28-L90 HydrophobicContact CB-CD2 4.05Å; A28-Y93 HydrophobicContact CB-CD1 3.72Å; A28-Y93 HydrophobicContact CB-CD2 4.2Å; A28-Y93 HydrophobicContact CB-CE1 3.78Å; A28-Y93 HydrophobicContact CB-CE2 4.24Å; A28-Y93 HydrophobicContact CB-CG 3.93Å |
| 29 | C | 90.4 | Very high | 89.7 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 54% | 0.541 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.6 | -76.5 | 0 | 0 | 0 | 0 | 111.9 | E25 S26 L31 T32 S33 | E25-C29 PolarHBondContact O-N 2.93Å; E25-C29 PolarHBondContact O-SG 3.38Å; S26-C29 PolarHBondContact O-N 3.41Å; C29-L31 VanDerWaalsContact C-N 3.31Å; C29-L31 PolarHBondContact O-N 3.48Å; C29-T32 PolarHBondContact O-N 3.41Å; C29-S33 PolarHBondContact O-N 2.88Å |
| 30 | E | 92 | Very high | 89.8 | Confident | 114 Ų | 114 | 71.3 Ų | 71.3 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 174.3 | -76 | -176.5 | -178 | 0 | 0 | 112 | S26 V27 S33 N34 | S26-E30 WeakPolarHBondContact O-CG 3.3Å; S26-E30 PolarHBondContact O-N 3.31Å; V27-E30 PolarHBondContact O-N 2.92Å; E30-S33 PolarHBondContact O-N 3.4Å; E30-N34 WeakPolarHBondContact O-CB 3.43Å; E30-N34 PolarHBondContact O-N 2.96Å; E30-N34 PolarHBondContact O-ND2 3.38Å |
| 31 | L | 91.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 178.1 | -145.9 | 63.4 | 0 | 0 | 0 | 111.9 | V27 A28 C29 N34 H35 E86 Y89 L90 | V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 PolarHBondContact O-N 2.9Å; A28-L31 WeakPolarHBondContact O-CB 3.34Å; A28-L31 PolarHBondContact O-N 3.11Å; C29-L31 VanDerWaalsContact C-N 3.31Å; C29-L31 PolarHBondContact O-N 3.48Å; L31-N34 PolarHBondContact O-N 2.99Å; L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 3.47Å; L31-E86 HydrophobicContact CD1-CG 3.71Å; L31-E86 HydrophobicContact CD2-CB 3.69Å; L31-E86 HydrophobicContact CD2-CG 3.77Å; L31-E86 HydrophobicContact CG-CB 4.06Å; L31-E86 HydrophobicContact CG-CG 3.69Å; L31-Y89 HydrophobicContact CD2-CD1 3.88Å; L31-Y89 HydrophobicContact CD2-CG 4.44Å; L31-L90 HydrophobicContact CD2-CD1 4.37Å; L31-L90 HydrophobicContact CD2-CD2 4.42Å; L31-L90 HydrophobicContact CD2-CG 4.02Å |
| 32 | T | 88.9 | Confident | 89.7 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | A28 C29 N34 H35 E36 | A28-T32 PolarHBondContact O-N 3.43Å; A28-T32 PolarHBondContact O-OG1 3.18Å; C29-T32 PolarHBondContact O-N 3.41Å; T32-N34 VanDerWaalsContact C-N 3.34Å; T32-N34 PolarHBondContact O-N 3.05Å; T32-H35 VanDerWaalsContact O-CB 3.32Å; T32-H35 WeakPolarHBondContact O-CB 3.31Å; T32-H35 PolarHBondContact O-N 2.83Å; T32-E36 PolarHBondContact O-N 3.41Å; T32-E36 VanDerWaalsContact O-N 3.12Å |
| 33 | S | 90.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 70.5 Ų | 70.5 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 174.5 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | C29 E30 H35 E36 K37 | C29-S33 PolarHBondContact O-N 2.88Å; E30-S33 PolarHBondContact O-N 3.4Å; S33-H35 VanDerWaalsContact C-N 3.34Å; S33-E36 PolarHBondContact O-N 3.37Å; S33-K37 VanDerWaalsContact O-CG 3.31Å; S33-K37 WeakPolarHBondContact O-CG 3.29Å; S33-K37 PolarHBondContact O-N 2.86Å |
| 34 | N | 88.6 | Confident | 89.7 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 176.2 | -73.8 | -20.1 | 0 | 0 | 0 | 111.8 | E30 L31 T32 K37 N38 | E30-N34 WeakPolarHBondContact O-CB 3.43Å; E30-N34 PolarHBondContact O-N 2.96Å; E30-N34 PolarHBondContact O-ND2 3.38Å; L31-N34 PolarHBondContact O-N 2.99Å; T32-N34 VanDerWaalsContact C-N 3.34Å; T32-N34 PolarHBondContact O-N 3.05Å; N34-K37 PolarHBondContact O-N 3.49Å; N34-N38 VanDerWaalsContact O-CB 3.27Å; N34-N38 WeakPolarHBondContact O-CB 3.43Å; N34-N38 PolarHBondContact O-N 2.74Å; N34-N38 PolarHBondContact O-ND2 3.32Å |
| 35 | H | 86.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 22% | 0.218 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 172.5 | -118.4 | -75.2 | 0 | 0 | 0 | 111.7 | L31 T32 S33 K37 N38 D39 E86 | L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 3.47Å; T32-H35 VanDerWaalsContact O-CB 3.32Å; T32-H35 WeakPolarHBondContact O-CB 3.31Å; T32-H35 PolarHBondContact O-N 2.83Å; S33-H35 VanDerWaalsContact C-N 3.34Å; H35-K37 PolarHBondContact O-N 3.2Å; H35-N38 PolarHBondContact O-N 2.86Å; H35-D39 PolarHBondContact O-N 3.01Å; H35-E86 IonicContact CD2-OE2 2.67Å; H35-E86 PolarHBondContact CD2-OE2 3.48Å; H35-E86 IonicContact CE1-OE2 3.69Å; H35-E86 IonicContact NE2-OE2 3.67Å; H35-E86 PolarHBondContact NE2-OE2 3.44Å |
| 36 | E | 87.9 | Confident | 89.2 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 58% | 0.575 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 177.3 | -68.4 | 177.7 | 173.8 | 0 | 0 | 112.1 | T32 S33 N38 D39 I40 | T32-E36 PolarHBondContact O-N 3.41Å; T32-E36 VanDerWaalsContact O-N 3.12Å; S33-E36 PolarHBondContact O-N 3.37Å; E36-N38 VanDerWaalsContact C-N 3.33Å; E36-N38 PolarHBondContact O-N 3.47Å; E36-D39 PolarHBondContact O-N 2.9Å; E36-I40 WeakPolarHBondContact O-CD1 3.37Å; E36-I40 WeakPolarHBondContact O-CG1 3.16Å; E36-I40 PolarHBondContact O-N 3.33Å |
| 37 | K | 89.6 | Confident | 89.1 | Confident | 120 Ų | 120 | 72.9 Ų | 72.9 | 52% | 0.522 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 175.3 | -71 | 170.8 | -171.6 | 165.8 | 0 | 112 | S33 N34 H35 S41 | S33-K37 VanDerWaalsContact O-CG 3.31Å; S33-K37 WeakPolarHBondContact O-CG 3.29Å; S33-K37 PolarHBondContact O-N 2.86Å; N34-K37 PolarHBondContact O-N 3.49Å; H35-K37 PolarHBondContact O-N 3.2Å; K37-S41 VanDerWaalsContact O-CB 3.29Å; K37-S41 WeakPolarHBondContact O-CB 3.37Å; K37-S41 PolarHBondContact O-N 2.93Å; K37-S41 PolarHBondContact O-OG 3.2Å |
| 38 | N | 87.4 | Confident | 88.8 | Confident | 66 Ų | 66 | 76.5 Ų | 76.5 | 35% | 0.353 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.8 | -76.6 | -19.7 | 0 | 0 | 0 | 111.3 | N34 H35 E36 S41 R42 | N34-N38 VanDerWaalsContact O-CB 3.27Å; N34-N38 WeakPolarHBondContact O-CB 3.43Å; N34-N38 PolarHBondContact O-N 2.74Å; N34-N38 PolarHBondContact O-ND2 3.32Å; H35-N38 PolarHBondContact O-N 2.86Å; E36-N38 VanDerWaalsContact C-N 3.33Å; E36-N38 PolarHBondContact O-N 3.47Å; N38-S41 WeakPolarHBondContact CA-OG 3.49Å; N38-S41 PolarHBondContact O-OG 2.99Å; N38-R42 WeakPolarHBondContact O-CB 3.27Å; N38-R42 PolarHBondContact O-N 3.47Å |
| 39 | D | 86.4 | Confident | 88.6 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | 177.7 | -73.2 | -24.4 | 0 | 0 | 0 | 112.4 | H35 E36 T43 | H35-D39 PolarHBondContact O-N 3.01Å; E36-D39 PolarHBondContact O-N 2.9Å; D39-T43 WeakPolarHBondContact O-CB 3.47Å; D39-T43 PolarHBondContact O-N 2.84Å; D39-T43 PolarHBondContact O-OG1 3.29Å |
| 40 | I | 90.5 | Very high | 88.3 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 173.4 | -67.4 | 160.9 | 0 | 0 | 0 | 110.8 | E36 R42 T43 N44 | E36-I40 WeakPolarHBondContact O-CD1 3.37Å; E36-I40 WeakPolarHBondContact O-CG1 3.16Å; E36-I40 PolarHBondContact O-N 3.33Å; I40-R42 PolarHBondContact O-N 2.86Å; I40-T43 PolarHBondContact O-N 3.17Å; I40-N44 PolarHBondContact O-N 3.37Å |
| 41 | S | 87.8 | Confident | 88 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 179.9 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | K37 N38 N44 L45 | K37-S41 VanDerWaalsContact O-CB 3.29Å; K37-S41 WeakPolarHBondContact O-CB 3.37Å; K37-S41 PolarHBondContact O-N 2.93Å; K37-S41 PolarHBondContact O-OG 3.2Å; N38-S41 WeakPolarHBondContact CA-OG 3.49Å; N38-S41 PolarHBondContact O-OG 2.99Å; S41-N44 PolarHBondContact O-N 3.05Å; S41-L45 WeakPolarHBondContact O-CB 3.32Å; S41-L45 PolarHBondContact O-N 3.31Å |
| 42 | R | 86.1 | Confident | 87.8 | Confident | 81 Ų | 81 | 81.4 Ų | 81.4 | 31% | 0.306 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 171.6 | -178.3 | 178.3 | 174.3 | 107.8 | 8.2 | 111.2 | N38 I40 N44 L45 V46 F75 D76 | N38-R42 WeakPolarHBondContact O-CB 3.27Å; N38-R42 PolarHBondContact O-N 3.47Å; I40-R42 PolarHBondContact O-N 2.86Å; R42-N44 VanDerWaalsContact C-N 3.35Å; R42-N44 PolarHBondContact O-N 2.88Å; R42-L45 PolarHBondContact O-N 2.78Å; R42-V46 VanDerWaalsContact O-CG2 3.3Å; R42-V46 WeakPolarHBondContact O-CG2 3.31Å; R42-V46 PolarHBondContact O-N 2.91Å; R42-F75 HydrophobicContact CB-CE1 4.45Å; R42-F75 HydrophobicContact CB-CZ 4.34Å; R42-F75 HydrophobicContact CG-CE1 4.08Å; R42-F75 HydrophobicContact CG-CZ 4.46Å; R42-D76 IonicContact CZ-OD1 3.93Å; R42-D76 IonicContact NH1-OD1 2.85Å; R42-D76 PolarHBondContact NH1-OD1 2.91Å; R42-D76 IonicContact NH2-OD1 2.78Å; R42-D76 PolarHBondContact NH2-OD1 2.72Å |
| 43 | T | 88.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 83.9 Ų | 83.9 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | D39 I40 V46 N47 | D39-T43 WeakPolarHBondContact O-CB 3.47Å; D39-T43 PolarHBondContact O-N 2.84Å; D39-T43 PolarHBondContact O-OG1 3.29Å; I40-T43 PolarHBondContact O-N 3.17Å; T43-V46 PolarHBondContact O-N 3.3Å; T43-N47 PolarHBondContact O-N 3.22Å; T43-N47 PolarHBondContact O-ND2 3.01Å |
| 44 | N | 91.6 | Very high | 87 | Confident | 90 Ų | 90 | 90.1 Ų | 90.1 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 175.4 | -72.6 | -20.1 | 0 | 0 | 0 | 112.4 | I40 S41 R42 V46 N47 Q48 | I40-N44 PolarHBondContact O-N 3.37Å; S41-N44 PolarHBondContact O-N 3.05Å; R42-N44 VanDerWaalsContact C-N 3.35Å; R42-N44 PolarHBondContact O-N 2.88Å; N44-V46 VanDerWaalsContact C-N 3.32Å; N44-V46 PolarHBondContact O-N 2.84Å; N44-N47 PolarHBondContact O-N 3.46Å; N44-Q48 PolarHBondContact O-N 3.31Å |
| 45 | L | 87.1 | Confident | 86.5 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 47% | 0.466 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 178.2 | -159.1 | 80.3 | 0 | 0 | 0 | 111.5 | S41 R42 T49 | S41-L45 WeakPolarHBondContact O-CB 3.32Å; S41-L45 PolarHBondContact O-N 3.31Å; R42-L45 PolarHBondContact O-N 2.78Å; L45-T49 VanDerWaalsContact O-CB 3.32Å; L45-T49 WeakPolarHBondContact O-CB 3.2Å; L45-T49 PolarHBondContact O-N 2.96Å; L45-T49 PolarHBondContact O-OG1 2.81Å |
| 46 | V | 85.8 | Confident | 86.3 | Confident | 60 Ų | 60 | 90 Ų | 90 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111.1 | R42 T43 N44 T49 K50 | R42-V46 VanDerWaalsContact O-CG2 3.3Å; R42-V46 WeakPolarHBondContact O-CG2 3.31Å; R42-V46 PolarHBondContact O-N 2.91Å; T43-V46 PolarHBondContact O-N 3.3Å; N44-V46 VanDerWaalsContact C-N 3.32Å; N44-V46 PolarHBondContact O-N 2.84Å; V46-T49 PolarHBondContact O-N 3.02Å; V46-K50 HydrophobicContact CG1-CD 4.39Å; V46-K50 WeakPolarHBondContact O-CG 3.39Å; V46-K50 PolarHBondContact O-N 3.07Å |
| 47 | N | 89.6 | Confident | 85.8 | Confident | 78 Ų | 78 | 87.6 Ų | 87.6 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 177.9 | -71.8 | -21.8 | 0 | 0 | 0 | 112.1 | T43 N44 T49 K50 E51 | T43-N47 PolarHBondContact O-N 3.22Å; T43-N47 PolarHBondContact O-ND2 3.01Å; N44-N47 PolarHBondContact O-N 3.46Å; N47-T49 VanDerWaalsContact C-N 3.32Å; N47-T49 PolarHBondContact O-N 3.22Å; N47-K50 WeakPolarHBondContact O-CB 3.41Å; N47-K50 PolarHBondContact O-N 3.46Å; N47-K50 VanDerWaalsContact O-N 3.13Å; N47-E51 PolarHBondContact O-N 2.91Å |
| 48 | Q | 87.6 | Confident | 85.1 | Confident | 132 Ų | 132 | 88.8 Ų | 88.8 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | 174.5 | -72.4 | -178.7 | -1.8 | 0 | 0 | 112 | N44 K50 E51 F52 | N44-Q48 PolarHBondContact O-N 3.31Å; Q48-K50 VanDerWaalsContact C-N 3.29Å; Q48-K50 PolarHBondContact O-N 3.03Å; Q48-E51 PolarHBondContact O-N 3.05Å; Q48-F52 WeakPolarHBondContact O-CB 3.34Å; Q48-F52 PolarHBondContact O-N 3.33Å |
| 49 | T | 86.1 | Confident | 84.8 | Confident | 20 Ų | 20 | 91.9 Ų | 91.9 | 12% | 0.123 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.1 | -35 | 176 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | L45 V46 N47 R53 I68 | L45-T49 VanDerWaalsContact O-CB 3.32Å; L45-T49 WeakPolarHBondContact O-CB 3.2Å; L45-T49 PolarHBondContact O-N 2.96Å; L45-T49 PolarHBondContact O-OG1 2.81Å; V46-T49 PolarHBondContact O-N 3.02Å; N47-T49 VanDerWaalsContact C-N 3.32Å; N47-T49 PolarHBondContact O-N 3.22Å; T49-R53 PolarHBondContact O-N 2.87Å; T49-I68 HydrophobicContact CG2-CD1 4.46Å; T49-I68 HydrophobicContact CG2-CG2 3.89Å |
| 50 | K | 85.5 | Confident | 84.7 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 47% | 0.474 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 174.1 | -76.2 | 173.6 | -177.6 | 174 | 0 | 111.7 | V46 N47 Q48 R53 K54 | V46-K50 HydrophobicContact CG1-CD 4.39Å; V46-K50 WeakPolarHBondContact O-CG 3.39Å; V46-K50 PolarHBondContact O-N 3.07Å; N47-K50 WeakPolarHBondContact O-CB 3.41Å; N47-K50 PolarHBondContact O-N 3.46Å; N47-K50 VanDerWaalsContact O-N 3.13Å; Q48-K50 VanDerWaalsContact C-N 3.29Å; Q48-K50 PolarHBondContact O-N 3.03Å; K50-R53 PolarHBondContact O-N 3.23Å; K50-K54 WeakPolarHBondContact O-CG 3.48Å; K50-K54 PolarHBondContact O-N 3.48Å |
| 51 | E | 86.3 | Confident | 84.2 | Confident | 136 Ų | 136 | 90.6 Ų | 90.6 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 176.4 | -70.9 | -146.3 | 137.6 | 0 | 0 | 112.5 | N47 Q48 R53 K54 S55 | N47-E51 PolarHBondContact O-N 2.91Å; Q48-E51 PolarHBondContact O-N 3.05Å; E51-R53 VanDerWaalsContact C-N 3.26Å; E51-R53 PolarHBondContact O-N 3.4Å; E51-K54 WeakPolarHBondContact O-CA 3.36Å; E51-K54 WeakPolarHBondContact O-CB 3.32Å; E51-K54 PolarHBondContact O-N 3.05Å; E51-S55 PolarHBondContact O-N 3.12Å; E51-S55 VanDerWaalsContact O-N 3.09Å; E51-S55 PolarHBondContact O-OG 2.84Å |
| 52 | F | 85 | Confident | 84 | Confident | 64 Ų | 64 | 95.5 Ų | 95.5 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.8 | -41.3 | 174.6 | 171.8 | -99.8 | 0 | 0 | 0 | 112.2 | Q48 K54 S55 A56 V60 C64 I68 | Q48-F52 WeakPolarHBondContact O-CB 3.34Å; Q48-F52 PolarHBondContact O-N 3.33Å; F52-K54 PolarHBondContact O-N 3.35Å; F52-S55 PolarHBondContact O-N 3.42Å; F52-A56 HydrophobicContact CD2-CB 4.25Å; F52-A56 HydrophobicContact CE1-CB 4.41Å; F52-A56 HydrophobicContact CE2-CB 3.81Å; F52-A56 HydrophobicContact CZ-CB 3.88Å; F52-A56 VanDerWaalsContact O-CB 3.3Å; F52-A56 WeakPolarHBondContact O-CB 3.37Å; F52-A56 PolarHBondContact O-N 3.19Å; F52-A56 VanDerWaalsContact O-N 3.1Å; F52-V60 HydrophobicContact CE2-CG1 4.48Å; F52-V60 HydrophobicContact CZ-CG1 4.15Å; F52-C64 HydrophobicContact CE1-CB 3.5Å; F52-C64 VanDerWaalsContact CE1-CB 3.5Å; F52-C64 HydrophobicContact CZ-CB 3.4Å; F52-I68 HydrophobicContact CD1-CD1 3.79Å; F52-I68 HydrophobicContact CE1-CD1 3.8Å |
| 53 | R | 80.1 | Confident | 83.9 | Confident | 122 Ų | 122 | 100 Ų | 100 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -29.5 | 175.8 | -91 | -172.4 | -104.7 | 160.7 | -9.8 | 113.4 | T49 K50 E51 R61 | T49-R53 PolarHBondContact O-N 2.87Å; K50-R53 PolarHBondContact O-N 3.23Å; E51-R53 VanDerWaalsContact C-N 3.26Å; E51-R53 PolarHBondContact O-N 3.4Å; R53-R61 PolarHBondContact O-NE 2.8Å; R53-R61 VanDerWaalsContact O-NE 3.14Å |
| 54 | K | 82.9 | Confident | 83.8 | Confident | 176 Ų | 176 | 97.9 Ų | 97.9 | 77% | 0.765 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -80.2 | -33.6 | 178.3 | -69.3 | 176.1 | -179.5 | -179.2 | 0 | 112.9 | K50 E51 F52 | K50-K54 WeakPolarHBondContact O-CG 3.48Å; K50-K54 PolarHBondContact O-N 3.48Å; E51-K54 WeakPolarHBondContact O-CA 3.36Å; E51-K54 WeakPolarHBondContact O-CB 3.32Å; E51-K54 PolarHBondContact O-N 3.05Å; F52-K54 PolarHBondContact O-N 3.35Å |
| 55 | S | 79.7 | Confident | 83.4 | Confident | 98 Ų | 98 | 95.4 Ų | 95.4 | 69% | 0.685 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -97.1 | -24.1 | -171.7 | 59.6 | 0 | 0 | 0 | 0 | 115.2 | E51 F52 | E51-S55 PolarHBondContact O-N 3.12Å; E51-S55 VanDerWaalsContact O-N 3.09Å; E51-S55 PolarHBondContact O-OG 2.84Å; F52-S55 PolarHBondContact O-N 3.42Å |
| 56 | A | 80.7 | Confident | 83.4 | Confident | 15 Ų | 15 | 95.4 Ų | 95.4 | 12% | 0.124 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -79.5 | 150.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F52 V60 R61 | F52-A56 HydrophobicContact CD2-CB 4.25Å; F52-A56 HydrophobicContact CE1-CB 4.41Å; F52-A56 HydrophobicContact CE2-CB 3.81Å; F52-A56 HydrophobicContact CZ-CB 3.88Å; F52-A56 VanDerWaalsContact O-CB 3.3Å; F52-A56 WeakPolarHBondContact O-CB 3.37Å; F52-A56 PolarHBondContact O-N 3.19Å; F52-A56 VanDerWaalsContact O-N 3.1Å; A56-V60 HydrophobicContact CB-CG1 4.43Å; A56-R61 PolarHBondContact O-NH2 3.36Å |
| 57 | S | 77 | Confident | 83.5 | Confident | 72 Ų | 72 | 95.1 Ų | 95.1 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | trans | -66.1 | 157.1 | 172.3 | 72.5 | 0 | 0 | 0 | 0 | 112.2 | D59 V60 R61 | S57-D59 PolarHBondContact O-N 3.03Å; S57-V60 PolarHBondContact O-N 3.11Å; S57-V60 WeakPolarHBondContact OG-CG2 3.36Å; S57-R61 VanDerWaalsContact O-CB 3.31Å; S57-R61 WeakPolarHBondContact O-CB 3.41Å; S57-R61 PolarHBondContact O-N 2.84Å | ||
| 58 | E | 76.9 | Confident | 83.4 | Confident | 144 Ų | 144 | 93.3 Ų | 93.3 | 67% | 0.673 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59 | -41.8 | -171.8 | -76 | -165.8 | 150 | 0 | 0 | 114.4 | R61 K62 | E58-R61 WeakPolarHBondContact O-CB 3.48Å; E58-R61 PolarHBondContact O-N 2.9Å; E58-K62 PolarHBondContact O-N 3.03Å; E58-K62 VanDerWaalsContact O-N 3.12Å |
| 59 | D | 80 | Confident | 83.4 | Confident | 131 Ų | 131 | 93.9 Ų | 93.9 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.8 | -43.6 | -179.1 | -64.2 | -38.2 | 0 | 0 | 0 | 111.8 | S57 R61 K62 Y63 | S57-D59 PolarHBondContact O-N 3.03Å; D59-R61 VanDerWaalsContact C-N 3.29Å; D59-R61 PolarHBondContact O-N 3.49Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-Y63 PolarHBondContact O-N 3.45Å |
| 60 | V | 84.1 | Confident | 83.5 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | F52 A56 S57 K62 C64 | F52-V60 HydrophobicContact CE2-CG1 4.48Å; F52-V60 HydrophobicContact CZ-CG1 4.15Å; A56-V60 HydrophobicContact CB-CG1 4.43Å; S57-V60 PolarHBondContact O-N 3.11Å; S57-V60 WeakPolarHBondContact OG-CG2 3.36Å; V60-K62 PolarHBondContact O-N 3.27Å; V60-C64 WeakPolarHBondContact O-CB 3.46Å; V60-C64 PolarHBondContact O-N 3.13Å; V60-C64 PolarHBondContact O-SG 2.93Å; V60-C64 VanDerWaalsContact O-SG 3.41Å |
| 61 | R | 80.7 | Confident | 83.8 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 31% | 0.313 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 178.5 | -166.9 | -173.7 | -62.2 | 142.2 | 2.9 | 112 | R53 A56 S57 E58 D59 S65 | R53-R61 PolarHBondContact O-NE 2.8Å; R53-R61 VanDerWaalsContact O-NE 3.14Å; A56-R61 PolarHBondContact O-NH2 3.36Å; S57-R61 VanDerWaalsContact O-CB 3.31Å; S57-R61 WeakPolarHBondContact O-CB 3.41Å; S57-R61 PolarHBondContact O-N 2.84Å; E58-R61 WeakPolarHBondContact O-CB 3.48Å; E58-R61 PolarHBondContact O-N 2.9Å; D59-R61 VanDerWaalsContact C-N 3.29Å; D59-R61 PolarHBondContact O-N 3.49Å; R61-S65 WeakPolarHBondContact O-CB 3.23Å; R61-S65 PolarHBondContact O-N 3.45Å; R61-S65 PolarHBondContact O-OG 2.97Å |
| 62 | K | 83.2 | Confident | 83.9 | Confident | 158 Ų | 158 | 96.8 Ų | 96.8 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.2 | -52.4 | 177.5 | -84.2 | -179.4 | 179.6 | 169.4 | 0 | 112 | E58 D59 V60 S65 T66 | E58-K62 PolarHBondContact O-N 3.03Å; E58-K62 VanDerWaalsContact O-N 3.12Å; D59-K62 PolarHBondContact O-N 3.35Å; V60-K62 PolarHBondContact O-N 3.27Å; K62-S65 PolarHBondContact O-N 3.37Å; K62-T66 PolarHBondContact O-N 3.01Å; K62-T66 PolarHBondContact O-OG1 3.35Å |
| 63 | Y | 83.7 | Confident | 84.2 | Confident | 175 Ų | 175 | 96.8 Ų | 96.8 | 69% | 0.686 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -49.8 | -179.8 | -177.3 | -99.7 | 0 | 0 | 0 | 111.6 | D59 S65 T66 V67 | D59-Y63 PolarHBondContact O-N 3.45Å; Y63-S65 VanDerWaalsContact C-N 3.28Å; Y63-S65 PolarHBondContact O-N 2.9Å; Y63-T66 PolarHBondContact O-N 3Å; Y63-V67 HydrophobicContact CE1-CG2 4.15Å; Y63-V67 PolarHBondContact O-N 3.32Å |
| 64 | C | 86.1 | Confident | 84.7 | Confident | 36 Ų | 36 | 97.4 Ų | 97.4 | 24% | 0.243 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 177.5 | -68 | 0 | 0 | 0 | 0 | 112.3 | F52 V60 T66 V67 I68 | F52-C64 HydrophobicContact CE1-CB 3.5Å; F52-C64 VanDerWaalsContact CE1-CB 3.5Å; F52-C64 HydrophobicContact CZ-CB 3.4Å; V60-C64 WeakPolarHBondContact O-CB 3.46Å; V60-C64 PolarHBondContact O-N 3.13Å; V60-C64 PolarHBondContact O-SG 2.93Å; V60-C64 VanDerWaalsContact O-SG 3.41Å; C64-T66 VanDerWaalsContact C-N 3.34Å; C64-T66 PolarHBondContact O-N 2.92Å; C64-V67 PolarHBondContact O-N 2.81Å; C64-I68 HydrophobicContact CB-CD1 4.29Å; C64-I68 VanDerWaalsContact O-CB 3.22Å; C64-I68 WeakPolarHBondContact O-CB 3.46Å; C64-I68 WeakPolarHBondContact O-CD1 3.28Å; C64-I68 WeakPolarHBondContact O-CG1 3.35Å; C64-I68 PolarHBondContact O-N 2.9Å |
| 65 | S | 83.8 | Confident | 85 | Confident | 37 Ų | 37 | 92.4 Ų | 92.4 | 26% | 0.259 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.1 | -75.1 | 0 | 0 | 0 | 0 | 112.8 | R61 K62 Y63 K69 | R61-S65 WeakPolarHBondContact O-CB 3.23Å; R61-S65 PolarHBondContact O-N 3.45Å; R61-S65 PolarHBondContact O-OG 2.97Å; K62-S65 PolarHBondContact O-N 3.37Å; Y63-S65 VanDerWaalsContact C-N 3.28Å; Y63-S65 PolarHBondContact O-N 2.9Å; S65-K69 WeakPolarHBondContact O-CB 3.38Å; S65-K69 WeakPolarHBondContact O-CG 3.48Å; S65-K69 PolarHBondContact O-N 3.35Å |
| 66 | T | 86.8 | Confident | 85.4 | Confident | 89 Ų | 89 | 91 Ų | 91 | 55% | 0.546 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | K62 Y63 C64 K69 C70 | K62-T66 PolarHBondContact O-N 3.01Å; K62-T66 PolarHBondContact O-OG1 3.35Å; Y63-T66 PolarHBondContact O-N 3Å; C64-T66 VanDerWaalsContact C-N 3.34Å; C64-T66 PolarHBondContact O-N 2.92Å; T66-K69 PolarHBondContact O-N 3.43Å; T66-C70 PolarHBondContact O-N 3.34Å; T66-C70 VanDerWaalsContact O-N 3.11Å; T66-C70 PolarHBondContact O-SG 2.86Å |
| 67 | V | 87.5 | Confident | 86 | Confident | 55 Ų | 55 | 93 Ų | 93 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 177.6 | 177 | 0 | 0 | 0 | 0 | 111.3 | Y63 C64 K69 C70 Y71 | Y63-V67 HydrophobicContact CE1-CG2 4.15Å; Y63-V67 PolarHBondContact O-N 3.32Å; C64-V67 PolarHBondContact O-N 2.81Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 3.27Å; V67-C70 PolarHBondContact O-N 3.02Å; V67-Y71 HydrophobicContact CG1-CD2 3.69Å; V67-Y71 HydrophobicContact CG1-CE2 3.64Å; V67-Y71 WeakPolarHBondContact O-CD2 3.44Å; V67-Y71 PolarHBondContact O-N 2.93Å |
| 68 | I | 87.7 | Confident | 86.7 | Confident | 39 Ų | 39 | 94.4 Ų | 94.4 | 20% | 0.2 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 176.8 | -71.9 | 163.9 | 0 | 0 | 0 | 110.7 | T49 F52 C64 Y71 Q72 | T49-I68 HydrophobicContact CG2-CD1 4.46Å; T49-I68 HydrophobicContact CG2-CG2 3.89Å; F52-I68 HydrophobicContact CD1-CD1 3.79Å; F52-I68 HydrophobicContact CE1-CD1 3.8Å; C64-I68 HydrophobicContact CB-CD1 4.29Å; C64-I68 VanDerWaalsContact O-CB 3.22Å; C64-I68 WeakPolarHBondContact O-CB 3.46Å; C64-I68 WeakPolarHBondContact O-CD1 3.28Å; C64-I68 WeakPolarHBondContact O-CG1 3.35Å; C64-I68 PolarHBondContact O-N 2.9Å; I68-Y71 PolarHBondContact O-N 3.18Å; I68-Q72 HydrophobicContact CG2-CG 4.21Å; I68-Q72 WeakPolarHBondContact O-CB 3.25Å; I68-Q72 WeakPolarHBondContact O-CG 3.48Å; I68-Q72 PolarHBondContact O-N 2.93Å |
| 69 | K | 87.4 | Confident | 87.3 | Confident | 145 Ų | 145 | 88.3 Ų | 88.3 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 176.8 | -81 | -179.6 | 179.2 | -176.9 | 0 | 112.7 | S65 T66 V67 Q72 S73 | S65-K69 WeakPolarHBondContact O-CB 3.38Å; S65-K69 WeakPolarHBondContact O-CG 3.48Å; S65-K69 PolarHBondContact O-N 3.35Å; T66-K69 PolarHBondContact O-N 3.43Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 3.27Å; K69-Q72 PolarHBondContact O-N 3.38Å; K69-S73 PolarHBondContact O-N 2.83Å; K69-S73 PolarHBondContact O-OG 2.94Å |
| 70 | C | 89.4 | Confident | 87.9 | Confident | 74 Ų | 74 | 89.8 Ų | 89.8 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175.9 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | T66 V67 Q72 S73 E74 | T66-C70 PolarHBondContact O-N 3.34Å; T66-C70 VanDerWaalsContact O-N 3.11Å; T66-C70 PolarHBondContact O-SG 2.86Å; V67-C70 PolarHBondContact O-N 3.02Å; C70-Q72 VanDerWaalsContact C-N 3.33Å; C70-Q72 PolarHBondContact O-N 3.33Å; C70-S73 PolarHBondContact O-N 2.83Å; C70-S73 PolarHBondContact O-OG 3.21Å; C70-E74 WeakPolarHBondContact O-CG 3.36Å; C70-E74 PolarHBondContact O-N 3.48Å; C70-E74 VanDerWaalsContact O-N 3.11Å |
| 71 | Y | 90.6 | Very high | 88.2 | Confident | 178 Ų | 178 | 95.8 Ų | 95.8 | 70% | 0.698 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.4 | -35.8 | 174.4 | -82.5 | -76.3 | 0 | 0 | 0 | 112.5 | V67 I68 F75 | V67-Y71 HydrophobicContact CG1-CD2 3.69Å; V67-Y71 HydrophobicContact CG1-CE2 3.64Å; V67-Y71 WeakPolarHBondContact O-CD2 3.44Å; V67-Y71 PolarHBondContact O-N 2.93Å; I68-Y71 PolarHBondContact O-N 3.18Å; Y71-F75 WeakPolarHBondContact O-CB 3.43Å; Y71-F75 PolarHBondContact O-N 3.37Å |
| 72 | Q | 88.6 | Confident | 88.7 | Confident | 74 Ų | 74 | 94 Ų | 94 | 35% | 0.346 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.7 | -78.6 | 172.2 | -12.9 | 0 | 0 | 112.1 | I68 K69 C70 F75 D76 | I68-Q72 HydrophobicContact CG2-CG 4.21Å; I68-Q72 WeakPolarHBondContact O-CB 3.25Å; I68-Q72 WeakPolarHBondContact O-CG 3.48Å; I68-Q72 PolarHBondContact O-N 2.93Å; K69-Q72 PolarHBondContact O-N 3.38Å; C70-Q72 VanDerWaalsContact C-N 3.33Å; C70-Q72 PolarHBondContact O-N 3.33Å; Q72-F75 PolarHBondContact O-N 3.12Å; Q72-D76 WeakPolarHBondContact O-CB 3.27Å; Q72-D76 PolarHBondContact O-N 3.45Å |
| 73 | S | 90.5 | Very high | 89 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | K69 C70 D76 A77 | K69-S73 PolarHBondContact O-N 2.83Å; K69-S73 PolarHBondContact O-OG 2.94Å; C70-S73 PolarHBondContact O-N 2.83Å; C70-S73 PolarHBondContact O-OG 3.21Å; S73-D76 PolarHBondContact O-N 2.97Å; S73-A77 WeakPolarHBondContact O-CB 3.35Å; S73-A77 PolarHBondContact O-N 3.4Å |
| 74 | E | 91.8 | Very high | 89.5 | Confident | 135 Ų | 135 | 90.8 Ų | 90.8 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 175.2 | -70.8 | -57.5 | 136.9 | 0 | 0 | 111.6 | C70 A77 L78 | C70-E74 WeakPolarHBondContact O-CG 3.36Å; C70-E74 PolarHBondContact O-N 3.48Å; C70-E74 VanDerWaalsContact O-N 3.11Å; E74-A77 PolarHBondContact O-N 3.49Å; E74-L78 VanDerWaalsContact O-CB 3.31Å; E74-L78 WeakPolarHBondContact O-CB 3.34Å; E74-L78 PolarHBondContact O-N 3.39Å |
| 75 | F | 88.6 | Confident | 89.8 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 31% | 0.307 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.5 | 179.9 | -95.4 | 0 | 0 | 0 | 112.1 | R42 Y71 Q72 A77 L78 Q79 | R42-F75 HydrophobicContact CB-CE1 4.45Å; R42-F75 HydrophobicContact CB-CZ 4.34Å; R42-F75 HydrophobicContact CG-CE1 4.08Å; R42-F75 HydrophobicContact CG-CZ 4.46Å; Y71-F75 WeakPolarHBondContact O-CB 3.43Å; Y71-F75 PolarHBondContact O-N 3.37Å; Q72-F75 PolarHBondContact O-N 3.12Å; F75-A77 VanDerWaalsContact C-N 3.34Å; F75-A77 PolarHBondContact O-N 3.04Å; F75-L78 PolarHBondContact O-N 3.44Å; F75-Q79 VanDerWaalsContact CE1-OE1 3.29Å; F75-Q79 VanDerWaalsContact O-CB 3.28Å; F75-Q79 WeakPolarHBondContact O-CB 3.49Å; F75-Q79 PolarHBondContact O-N 3.36Å |
| 76 | D | 89.6 | Confident | 90.2 | Very high | 70 Ų | 70 | 91 Ų | 91 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 177.6 | -76 | -31.9 | 0 | 0 | 0 | 111.7 | R42 Q72 S73 K80 | R42-D76 IonicContact CZ-OD1 3.93Å; R42-D76 IonicContact NH1-OD1 2.85Å; R42-D76 PolarHBondContact NH1-OD1 2.91Å; R42-D76 IonicContact NH2-OD1 2.78Å; R42-D76 PolarHBondContact NH2-OD1 2.72Å; Q72-D76 WeakPolarHBondContact O-CB 3.27Å; Q72-D76 PolarHBondContact O-N 3.45Å; S73-D76 PolarHBondContact O-N 2.97Å; D76-K80 WeakPolarHBondContact O-CB 3.32Å; D76-K80 PolarHBondContact O-N 3.31Å |
| 77 | A | 93.2 | Very high | 90.4 | Very high | 55 Ų | 55 | 92.6 Ų | 92.6 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S73 E74 F75 K80 R81 | S73-A77 WeakPolarHBondContact O-CB 3.35Å; S73-A77 PolarHBondContact O-N 3.4Å; E74-A77 PolarHBondContact O-N 3.49Å; F75-A77 VanDerWaalsContact C-N 3.34Å; F75-A77 PolarHBondContact O-N 3.04Å; A77-K80 PolarHBondContact O-N 2.82Å; A77-R81 PolarHBondContact O-N 2.94Å |
| 78 | L | 91.7 | Very high | 90.7 | Very high | 103 Ų | 103 | 92 Ų | 92 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 175 | -178.2 | 63.2 | 0 | 0 | 0 | 110.6 | E74 F75 K80 R81 C82 | E74-L78 VanDerWaalsContact O-CB 3.31Å; E74-L78 WeakPolarHBondContact O-CB 3.34Å; E74-L78 PolarHBondContact O-N 3.39Å; F75-L78 PolarHBondContact O-N 3.44Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 3.5Å; L78-R81 PolarHBondContact O-N 3.37Å; L78-R81 VanDerWaalsContact O-N 3.17Å; L78-C82 WeakPolarHBondContact O-CB 3.23Å; L78-C82 PolarHBondContact O-N 2.84Å; L78-C82 PolarHBondContact O-SG 3.19Å |
| 79 | Q | 89.2 | Confident | 91 | Very high | 15 Ų | 15 | 93.1 Ų | 93.1 | 7% | 0.07 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 179.3 | -168.5 | 174.7 | 2.4 | 0 | 0 | 112.3 | F75 R83 | F75-Q79 VanDerWaalsContact CE1-OE1 3.29Å; F75-Q79 VanDerWaalsContact O-CB 3.28Å; F75-Q79 WeakPolarHBondContact O-CB 3.49Å; F75-Q79 PolarHBondContact O-N 3.36Å; Q79-R83 WeakPolarHBondContact O-CB 3.26Å; Q79-R83 WeakPolarHBondContact O-CG 3.29Å; Q79-R83 PolarHBondContact O-N 3.09Å |
| 80 | K | 91.2 | Very high | 91.1 | Very high | 162 Ų | 162 | 88.1 Ų | 88.1 | 70% | 0.704 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 173.8 | -173.2 | 178.7 | -179.2 | -178.7 | 0 | 111.5 | D76 A77 L78 Y84 | D76-K80 WeakPolarHBondContact O-CB 3.32Å; D76-K80 PolarHBondContact O-N 3.31Å; A77-K80 PolarHBondContact O-N 2.82Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 3.5Å; K80-Y84 WeakPolarHBondContact O-CB 3.41Å; K80-Y84 PolarHBondContact O-N 2.99Å |
| 81 | R | 92 | Very high | 91.2 | Very high | 194 Ų | 194 | 87.6 Ų | 87.6 | 73% | 0.732 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 176.4 | -179.1 | 179.7 | 167.6 | -172.4 | -4.1 | 111.9 | A77 L78 Y84 A85 | A77-R81 PolarHBondContact O-N 2.94Å; L78-R81 PolarHBondContact O-N 3.37Å; L78-R81 VanDerWaalsContact O-N 3.17Å; R81-Y84 PolarHBondContact O-N 3.24Å; R81-A85 PolarHBondContact O-N 3.49Å; R81-A85 VanDerWaalsContact O-N 3.07Å |
| 82 | C | 90.9 | Very high | 91.2 | Very high | 47 Ų | 47 | 84.8 Ų | 84.8 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.6 | -54.4 | 174.2 | -69.7 | 0 | 0 | 0 | 0 | 110.3 | L78 Y84 A85 E86 | L78-C82 WeakPolarHBondContact O-CB 3.23Å; L78-C82 PolarHBondContact O-N 2.84Å; L78-C82 PolarHBondContact O-SG 3.19Å; C82-Y84 VanDerWaalsContact C-N 3.28Å; C82-Y84 PolarHBondContact O-N 2.96Å; C82-A85 PolarHBondContact O-N 3.3Å; C82-E86 WeakPolarHBondContact O-CB 3.42Å; C82-E86 WeakPolarHBondContact O-CG 3.28Å; C82-E86 PolarHBondContact O-N 2.88Å |
| 83 | R | 89.6 | Confident | 91.4 | Very high | 91 Ų | 91 | 83 Ų | 83 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.8 | -41.8 | 178.1 | -80.8 | -170 | -86.8 | -148.2 | -4.7 | 113.2 | Q79 E86 E87 | Q79-R83 WeakPolarHBondContact O-CB 3.26Å; Q79-R83 WeakPolarHBondContact O-CG 3.29Å; Q79-R83 PolarHBondContact O-N 3.09Å; R83-E86 PolarHBondContact O-N 3.47Å; R83-E87 VanDerWaalsContact O-CB 3.25Å; R83-E87 WeakPolarHBondContact O-CB 3.47Å; R83-E87 VanDerWaalsContact O-CG 3.23Å; R83-E87 WeakPolarHBondContact O-CG 3.33Å; R83-E87 PolarHBondContact O-N 2.88Å |
| 84 | Y | 93.8 | Very high | 91.3 | Very high | 173 Ų | 173 | 86.3 Ų | 86.3 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 176.3 | 177.7 | -100.6 | 0 | 0 | 0 | 112.7 | K80 R81 C82 E86 A88 | K80-Y84 WeakPolarHBondContact O-CB 3.41Å; K80-Y84 PolarHBondContact O-N 2.99Å; R81-Y84 PolarHBondContact O-N 3.24Å; C82-Y84 VanDerWaalsContact C-N 3.28Å; C82-Y84 PolarHBondContact O-N 2.96Å; Y84-E86 VanDerWaalsContact C-N 3.32Å; Y84-A88 VanDerWaalsContact O-CB 3.28Å; Y84-A88 WeakPolarHBondContact O-CB 3.4Å; Y84-A88 PolarHBondContact O-N 2.77Å |
| 85 | A | 92.6 | Very high | 91.2 | Very high | 57 Ų | 57 | 86 Ų | 86 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R81 C82 A88 Y89 | R81-A85 PolarHBondContact O-N 3.49Å; R81-A85 VanDerWaalsContact O-N 3.07Å; C82-A85 PolarHBondContact O-N 3.3Å; A85-A88 PolarHBondContact O-N 3.39Å; A85-Y89 WeakPolarHBondContact O-CB 3.44Å; A85-Y89 PolarHBondContact O-N 2.91Å |
| 86 | E | 91.5 | Very high | 91.2 | Very high | 21 Ų | 21 | 85.2 Ų | 85.2 | 10% | 0.098 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.3 | -45.8 | 179 | -67.6 | 171.2 | 151.2 | 0 | 0 | 111.6 | L31 H35 C82 R83 Y84 A88 Y89 L90 | L31-E86 HydrophobicContact CD1-CG 3.71Å; L31-E86 HydrophobicContact CD2-CB 3.69Å; L31-E86 HydrophobicContact CD2-CG 3.77Å; L31-E86 HydrophobicContact CG-CB 4.06Å; L31-E86 HydrophobicContact CG-CG 3.69Å; H35-E86 IonicContact CD2-OE2 2.67Å; H35-E86 PolarHBondContact CD2-OE2 3.48Å; H35-E86 IonicContact CE1-OE2 3.69Å; H35-E86 IonicContact NE2-OE2 3.67Å; H35-E86 PolarHBondContact NE2-OE2 3.44Å; C82-E86 WeakPolarHBondContact O-CB 3.42Å; C82-E86 WeakPolarHBondContact O-CG 3.28Å; C82-E86 PolarHBondContact O-N 2.88Å; R83-E86 PolarHBondContact O-N 3.47Å; Y84-E86 VanDerWaalsContact C-N 3.32Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.24Å; E86-Y89 PolarHBondContact O-N 3.25Å; E86-L90 VanDerWaalsContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CB 3.27Å; E86-L90 VanDerWaalsContact O-CG 3.23Å; E86-L90 WeakPolarHBondContact O-CG 3.43Å; E86-L90 PolarHBondContact O-N 2.86Å |
| 87 | E | 91.1 | Very high | 91.1 | Very high | 122 Ų | 122 | 84.6 Ų | 84.6 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 173.4 | -76.1 | 172.3 | -171.7 | 0 | 0 | 111.5 | R83 S91 | R83-E87 VanDerWaalsContact O-CB 3.25Å; R83-E87 WeakPolarHBondContact O-CB 3.47Å; R83-E87 VanDerWaalsContact O-CG 3.23Å; R83-E87 WeakPolarHBondContact O-CG 3.33Å; R83-E87 PolarHBondContact O-N 2.88Å; E87-S91 VanDerWaalsContact O-CB 3.27Å; E87-S91 WeakPolarHBondContact O-CB 3.44Å; E87-S91 PolarHBondContact O-N 3.24Å |
| 88 | A | 93 | Very high | 90.8 | Very high | 44 Ų | 44 | 89.7 Ų | 89.7 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y84 A85 E86 S91 M92 | Y84-A88 VanDerWaalsContact O-CB 3.28Å; Y84-A88 WeakPolarHBondContact O-CB 3.4Å; Y84-A88 PolarHBondContact O-N 2.77Å; A85-A88 PolarHBondContact O-N 3.39Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.24Å; A88-S91 WeakPolarHBondContact O-CB 3.38Å; A88-S91 PolarHBondContact O-N 2.87Å; A88-M92 PolarHBondContact O-N 3.42Å |
| 89 | Y | 94.6 | Very high | 90.5 | Very high | 61 Ų | 61 | 89.2 Ų | 89.2 | 24% | 0.239 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 176 | -178.9 | -89.5 | 0 | 0 | 0 | 111.4 | L24 V27 A28 L31 A85 E86 S91 M92 Y93 | L24-Y89 VanDerWaalsContact CA-OH 3.26Å; L24-Y89 WeakPolarHBondContact CA-OH 3.34Å; L24-Y89 HydrophobicContact CD2-CE2 4.15Å; L24-Y89 VanDerWaalsContact CD2-OH 3.29Å; L24-Y89 WeakPolarHBondContact CD2-OH 3.4Å; L24-Y89 PolarHBondContact O-OH 3.48Å; V27-Y89 HydrophobicContact CB-CE1 4.19Å; V27-Y89 VanDerWaalsContact CB-OH 3.28Å; V27-Y89 WeakPolarHBondContact CB-OH 3.5Å; V27-Y89 HydrophobicContact CG1-CE1 3.7Å; V27-Y89 HydrophobicContact CG1-CE2 4.04Å; V27-Y89 VanDerWaalsContact CG1-CZ 3.45Å; V27-Y89 WeakPolarHBondContact CG1-OH 3.37Å; A28-Y89 HydrophobicContact CB-CE1 4.2Å; L31-Y89 HydrophobicContact CD2-CD1 3.88Å; L31-Y89 HydrophobicContact CD2-CG 4.44Å; A85-Y89 WeakPolarHBondContact O-CB 3.44Å; A85-Y89 PolarHBondContact O-N 2.91Å; E86-Y89 PolarHBondContact O-N 3.25Å; Y89-S91 VanDerWaalsContact C-N 3.28Å; Y89-S91 PolarHBondContact O-N 3.41Å; Y89-M92 PolarHBondContact O-N 3.41Å; Y89-Y93 WeakPolarHBondContact O-CB 3.32Å; Y89-Y93 PolarHBondContact O-N 2.97Å |
| 90 | L | 89.7 | Confident | 90.2 | Very high | 40 Ų | 40 | 93.8 Ų | 93.8 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63 | -34.7 | 177.9 | -71.9 | 169.3 | 0 | 0 | 0 | 111.8 | A28 L31 E86 K94 | A28-L90 HydrophobicContact CB-CD2 4.05Å; L31-L90 HydrophobicContact CD2-CD1 4.37Å; L31-L90 HydrophobicContact CD2-CD2 4.42Å; L31-L90 HydrophobicContact CD2-CG 4.02Å; E86-L90 VanDerWaalsContact O-CB 3.32Å; E86-L90 WeakPolarHBondContact O-CB 3.27Å; E86-L90 VanDerWaalsContact O-CG 3.23Å; E86-L90 WeakPolarHBondContact O-CG 3.43Å; E86-L90 PolarHBondContact O-N 2.86Å; L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 VanDerWaalsContact O-CG 3.27Å; L90-K94 WeakPolarHBondContact O-CG 3.36Å; L90-K94 PolarHBondContact O-N 3.31Å |
| 91 | S | 91.5 | Very high | 89.9 | Confident | 63 Ų | 63 | 89 Ų | 89 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.6 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | E87 A88 Y89 Q95 | E87-S91 VanDerWaalsContact O-CB 3.27Å; E87-S91 WeakPolarHBondContact O-CB 3.44Å; E87-S91 PolarHBondContact O-N 3.24Å; A88-S91 WeakPolarHBondContact O-CB 3.38Å; A88-S91 PolarHBondContact O-N 2.87Å; Y89-S91 VanDerWaalsContact C-N 3.28Å; Y89-S91 PolarHBondContact O-N 3.41Å; S91-Q95 WeakPolarHBondContact O-CG 3.44Å; S91-Q95 PolarHBondContact O-N 2.96Å |
| 92 | M | 90.5 | Very high | 89.6 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 59% | 0.586 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 176.3 | -72 | -174.1 | 65.2 | 0 | 0 | 111.8 | A88 Y89 K94 Q95 L96 | A88-M92 PolarHBondContact O-N 3.42Å; Y89-M92 PolarHBondContact O-N 3.41Å; M92-K94 PolarHBondContact O-N 3.37Å; M92-Q95 PolarHBondContact O-N 2.84Å; M92-L96 WeakPolarHBondContact O-CG 3.46Å; M92-L96 PolarHBondContact O-N 2.88Å |
| 93 | Y | 92 | Very high | 89.4 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 176.1 | 164.7 | -108.1 | 0 | 0 | 0 | 111.7 | L24 E25 A28 Y89 Q95 L96 I97 | L24-Y93 HydrophobicContact CB-CD2 3.88Å; L24-Y93 HydrophobicContact CB-CE2 4.42Å; E25-Y93 VanDerWaalsContact CA-CE2 3.45Å; E25-Y93 HydrophobicContact CB-CE2 3.81Å; E25-Y93 HydrophobicContact CG-CE2 4.44Å; E25-Y93 WeakPolarHBondContact CG-OH 3.46Å; A28-Y93 HydrophobicContact CB-CD1 3.72Å; A28-Y93 HydrophobicContact CB-CD2 4.2Å; A28-Y93 HydrophobicContact CB-CE1 3.78Å; A28-Y93 HydrophobicContact CB-CE2 4.24Å; A28-Y93 HydrophobicContact CB-CG 3.93Å; Y89-Y93 WeakPolarHBondContact O-CB 3.32Å; Y89-Y93 PolarHBondContact O-N 2.97Å; Y93-Q95 VanDerWaalsContact C-N 3.27Å; Y93-Q95 PolarHBondContact O-N 3.19Å; Y93-L96 PolarHBondContact O-N 3.28Å; Y93-L96 VanDerWaalsContact O-N 3.09Å; Y93-I97 HydrophobicContact CD2-CB 4.36Å; Y93-I97 HydrophobicContact CE2-CB 3.9Å; Y93-I97 HydrophobicContact CE2-CD1 3.88Å; Y93-I97 HydrophobicContact CE2-CG1 3.98Å; Y93-I97 HydrophobicContact CE2-CG2 4.44Å; Y93-I97 WeakPolarHBondContact O-CB 3.25Å; Y93-I97 WeakPolarHBondContact O-CG2 3.47Å; Y93-I97 PolarHBondContact O-N 2.98Å |
| 94 | K | 90.2 | Very high | 89.3 | Confident | 134 Ų | 134 | 83.3 Ų | 83.3 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.3 | -39.6 | 177.4 | -77.6 | 176.7 | -178.3 | -177.6 | 0 | 112.5 | L90 M92 E98 | L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 VanDerWaalsContact O-CG 3.27Å; L90-K94 WeakPolarHBondContact O-CG 3.36Å; L90-K94 PolarHBondContact O-N 3.31Å; M92-K94 PolarHBondContact O-N 3.37Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å |
| 95 | Q | 89.4 | Confident | 89 | Confident | 129 Ų | 129 | 78.2 Ų | 78.2 | 60% | 0.603 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.6 | -38 | 176.6 | -69.9 | 179.9 | -4.3 | 0 | 0 | 112.5 | S91 M92 Y93 L99 | S91-Q95 WeakPolarHBondContact O-CG 3.44Å; S91-Q95 PolarHBondContact O-N 2.96Å; M92-Q95 PolarHBondContact O-N 2.84Å; Y93-Q95 VanDerWaalsContact C-N 3.27Å; Y93-Q95 PolarHBondContact O-N 3.19Å; Q95-L99 WeakPolarHBondContact O-CG 3.42Å |
| 96 | L | 87.5 | Confident | 88.9 | Confident | 53 Ų | 53 | 77 Ų | 77 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81.7 | -29.3 | -175.5 | -69.6 | 172.7 | 0 | 0 | 0 | 113.9 | Q21 L24 M92 Y93 L99 | Q21-L96 PolarHBondContact NE2-O 3.1Å; L24-L96 HydrophobicContact CD1-CB 4.17Å; L24-L96 HydrophobicContact CD1-CD1 3.76Å; M92-L96 WeakPolarHBondContact O-CG 3.46Å; M92-L96 PolarHBondContact O-N 2.88Å; Y93-L96 PolarHBondContact O-N 3.28Å; Y93-L96 VanDerWaalsContact O-N 3.09Å; L96-L99 HydrophobicContact CD2-CD1 4.27Å; L96-L99 PolarHBondContact O-N 3.47Å |
| 97 | I | 88.1 | Confident | 88.8 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.9 | -29.9 | 179.6 | -159.7 | 69 | 0 | 0 | 0 | 112 | Q21 Y93 L99 | Q21-I97 HydrophobicContact CB-CD1 4.05Å; Q21-I97 HydrophobicContact CG-CD1 4.34Å; Y93-I97 HydrophobicContact CD2-CB 4.36Å; Y93-I97 HydrophobicContact CE2-CB 3.9Å; Y93-I97 HydrophobicContact CE2-CD1 3.88Å; Y93-I97 HydrophobicContact CE2-CG1 3.98Å; Y93-I97 HydrophobicContact CE2-CG2 4.44Å; Y93-I97 WeakPolarHBondContact O-CB 3.25Å; Y93-I97 WeakPolarHBondContact O-CG2 3.47Å; Y93-I97 PolarHBondContact O-N 2.98Å; I97-L99 VanDerWaalsContact C-N 3.29Å |
| 98 | E | 86.1 | Confident | 88.8 | Confident | 162 Ų | 162 | 75.5 Ų | 75.5 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -76 | -17.6 | 176.7 | -71.6 | -177.8 | -178.5 | 0 | 0 | 112.9 | K94 P100 | K94-E98 WeakPolarHBondContact O-CG 3.36Å; E98-P100 WeakPolarHBondContact O-CD 3.39Å |
| 99 | L | 86.2 | Confident | 88.7 | Confident | 93 Ų | 93 | 77.3 Ų | 77.3 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -76.3 | 129.1 | -179.6 | -72.1 | 172.6 | 0 | 0 | 0 | 111 | F17 Q21 Q95 L96 I97 | F17-L99 WeakPolarHBondContact CE1-O 3.43Å; F17-L99 HydrophobicContact CZ-CB 4.16Å; Q21-L99 PolarHBondContact NE2-O 3.11Å; Q95-L99 WeakPolarHBondContact O-CG 3.42Å; L96-L99 HydrophobicContact CD2-CD1 4.27Å; L96-L99 PolarHBondContact O-N 3.47Å; I97-L99 VanDerWaalsContact C-N 3.29Å |
| 100 | P | 83.5 | Confident | 88.5 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 72% | 0.721 | 40% | 0.399 | S | S | * | . | trans | -63.5 | 151.5 | 168 | -19.3 | 31.8 | 0 | 0 | 0 | 111.3 | E98 P102 | E98-P100 WeakPolarHBondContact O-CD 3.39Å; P100-P102 VanDerWaalsContact O-CD 3.26Å; P100-P102 WeakPolarHBondContact O-CD 3.38Å | ||
| 101 | D | 84 | Confident | 88.6 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | trans | -62.8 | 115.2 | 174.8 | -176.2 | -4 | 0 | 0 | 0 | 111.1 | F17 S103 | F17-D101 HydrophobicContact CD1-CB 3.95Å; D101-S103 PolarHBondContact O-N 3.07Å; D101-S103 WeakPolarHBondContact OD1-CB 3.21Å; D101-S103 PolarHBondContact OD1-N 3.47Å; D101-S103 PolarHBondContact OD1-OG 3.47Å; D101-S103 PolarHBondContact OD2-OG 2.85Å | ||
| 102 | P | 86.6 | Confident | 88.6 | Confident | 38 Ų | 38 | 77 Ų | 77 | 25% | 0.247 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.1 | -17.1 | -179.3 | 30 | -36 | 0 | 0 | 0 | 112.7 | W12 P100 F104 A105 L106 | W12-P102 HydrophobicContact CD2-CG 3.66Å; W12-P102 HydrophobicContact CE3-CG 3.6Å; W12-P102 HydrophobicContact CG-CG 4.1Å; W12-P102 HydrophobicContact CH2-CG 4.49Å; W12-P102 HydrophobicContact CZ3-CG 4.04Å; P100-P102 VanDerWaalsContact O-CD 3.26Å; P100-P102 WeakPolarHBondContact O-CD 3.38Å; P102-F104 VanDerWaalsContact C-N 3.25Å; P102-F104 PolarHBondContact O-N 2.8Å; P102-A105 PolarHBondContact O-N 2.86Å; P102-L106 HydrophobicContact CB-CD1 4.29Å; P102-L106 WeakPolarHBondContact O-CB 3.43Å; P102-L106 VanDerWaalsContact O-CG 3.27Å; P102-L106 WeakPolarHBondContact O-CG 3.43Å; P102-L106 PolarHBondContact O-N 3.3Å |
| 103 | S | 86.7 | Confident | 88.7 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.7 | -37.5 | -177.2 | 75.6 | 0 | 0 | 0 | 0 | 111.8 | Y9 D101 G107 | Y9-S103 WeakPolarHBondContact CD2-O 3.09Å; Y9-S103 WeakPolarHBondContact CE2-O 3.43Å; D101-S103 PolarHBondContact O-N 3.07Å; D101-S103 WeakPolarHBondContact OD1-CB 3.21Å; D101-S103 PolarHBondContact OD1-N 3.47Å; D101-S103 PolarHBondContact OD1-OG 3.47Å; D101-S103 PolarHBondContact OD2-OG 2.85Å; S103-G107 PolarHBondContact O-N 3.3Å |
| 104 | F | 85.9 | Confident | 88.7 | Confident | 153 Ų | 153 | 78.2 Ų | 78.2 | 67% | 0.671 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.3 | -51.3 | 178.8 | -177 | -96.9 | 0 | 0 | 0 | 112.3 | P102 L106 G107 E108 | P102-F104 VanDerWaalsContact C-N 3.25Å; P102-F104 PolarHBondContact O-N 2.8Å; F104-L106 VanDerWaalsContact C-N 3.33Å; F104-L106 PolarHBondContact O-N 2.84Å; F104-G107 PolarHBondContact O-N 2.91Å; F104-G107 VanDerWaalsContact O-N 3.11Å; F104-E108 HydrophobicContact CE1-CG 4.23Å; F104-E108 HydrophobicContact CZ-CG 4.35Å; F104-E108 PolarHBondContact O-N 3.45Å |
| 105 | A | 88.6 | Confident | 88.9 | Confident | 65 Ų | 65 | 79 Ų | 79 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | P102 G107 E108 L109 | P102-A105 PolarHBondContact O-N 2.86Å; A105-G107 VanDerWaalsContact C-N 3.32Å; A105-E108 PolarHBondContact O-N 2.88Å; A105-L109 WeakPolarHBondContact O-CB 3.33Å; A105-L109 PolarHBondContact O-N 3.23Å |
| 106 | L | 89.9 | Confident | 89.1 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.1 | -70.7 | 171.1 | 0 | 0 | 0 | 112.1 | V8 Y9 W12 P102 F104 L109 H110 | V8-L106 HydrophobicContact CG1-CD1 3.9Å; V8-L106 HydrophobicContact CG1-CD2 4.12Å; Y9-L106 HydrophobicContact CD2-CB 3.81Å; Y9-L106 HydrophobicContact CG-CB 4.43Å; W12-L106 HydrophobicContact CB-CD1 4.13Å; W12-L106 VanDerWaalsContact CD1-CD1 3.4Å; W12-L106 HydrophobicContact CG-CD1 3.93Å; P102-L106 HydrophobicContact CB-CD1 4.29Å; P102-L106 WeakPolarHBondContact O-CB 3.43Å; P102-L106 VanDerWaalsContact O-CG 3.27Å; P102-L106 WeakPolarHBondContact O-CG 3.43Å; P102-L106 PolarHBondContact O-N 3.3Å; F104-L106 VanDerWaalsContact C-N 3.33Å; F104-L106 PolarHBondContact O-N 2.84Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-H110 VanDerWaalsContact O-CB 3.25Å; L106-H110 WeakPolarHBondContact O-CB 3.33Å; L106-H110 PolarHBondContact O-N 3.49Å |
| 107 | G | 89.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y9 S103 F104 A105 H110 S111 | Y9-G107 VanDerWaalsContact CD2-N 3.3Å; S103-G107 PolarHBondContact O-N 3.3Å; F104-G107 PolarHBondContact O-N 2.91Å; F104-G107 VanDerWaalsContact O-N 3.11Å; A105-G107 VanDerWaalsContact C-N 3.32Å; G107-H110 PolarHBondContact O-N 3.39Å; G107-S111 PolarHBondContact O-N 3Å |
| 108 | E | 91.2 | Very high | 89.6 | Confident | 96 Ų | 96 | 79.9 Ų | 79.9 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.3 | -77.7 | -59.8 | 144.9 | 0 | 0 | 111.7 | F104 A105 H110 S111 L112 | F104-E108 HydrophobicContact CE1-CG 4.23Å; F104-E108 HydrophobicContact CZ-CG 4.35Å; F104-E108 PolarHBondContact O-N 3.45Å; A105-E108 PolarHBondContact O-N 2.88Å; E108-H110 VanDerWaalsContact C-N 3.34Å; E108-H110 PolarHBondContact O-N 3.11Å; E108-S111 WeakPolarHBondContact O-CB 3.47Å; E108-S111 PolarHBondContact O-N 3.32Å; E108-S111 VanDerWaalsContact O-N 3.15Å; E108-S111 PolarHBondContact O-OG 3.48Å; E108-L112 WeakPolarHBondContact O-CG 3.34Å; E108-L112 PolarHBondContact O-N 2.66Å |
| 109 | L | 91.4 | Very high | 90.1 | Very high | 82 Ų | 82 | 74.3 Ų | 74.3 | 43% | 0.429 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.1 | -176.6 | 63.4 | 0 | 0 | 0 | 111.9 | V5 A105 L106 S111 L112 Q113 | V5-L109 HydrophobicContact CG1-CB 4.32Å; V5-L109 HydrophobicContact CG1-CD2 3.98Å; V5-L109 HydrophobicContact CG1-CG 3.85Å; V5-L109 HydrophobicContact CG2-CD2 4.28Å; A105-L109 WeakPolarHBondContact O-CB 3.33Å; A105-L109 PolarHBondContact O-N 3.23Å; L106-L109 PolarHBondContact O-N 2.98Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.14Å; L109-L112 PolarHBondContact O-N 3.3Å; L109-Q113 WeakPolarHBondContact O-CB 3.32Å; L109-Q113 PolarHBondContact O-N 3.5Å |
| 110 | H | 90.3 | Very high | 90.5 | Very high | 29 Ų | 29 | 74 Ų | 74 | 13% | 0.134 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | 175.3 | 177.3 | -131.9 | 0 | 0 | 0 | 112 | V5 Y9 L106 G107 E108 K114 | V5-H110 HydrophobicContact CG1-CB 4.01Å; Y9-H110 AromaticContact CD1-ND1 3.9Å; L106-H110 VanDerWaalsContact O-CB 3.25Å; L106-H110 WeakPolarHBondContact O-CB 3.33Å; L106-H110 PolarHBondContact O-N 3.49Å; G107-H110 PolarHBondContact O-N 3.39Å; E108-H110 VanDerWaalsContact C-N 3.34Å; E108-H110 PolarHBondContact O-N 3.11Å; H110-K114 VanDerWaalsContact CE1-CE 3.42Å; H110-K114 WeakPolarHBondContact CE1-CE 3.49Å; H110-K114 PolarHBondContact CE1-NZ 2.74Å; H110-K114 VanDerWaalsContact CE1-NZ 3.29Å; H110-K114 VanDerWaalsContact NE2-CE 3.26Å; H110-K114 WeakPolarHBondContact NE2-CE 3.32Å; H110-K114 WeakPolarHBondContact O-CG 3.42Å; H110-K114 PolarHBondContact O-N 2.95Å |
| 111 | S | 91.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 74 Ų | 74 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 174.8 | 94.6 | 0 | 0 | 0 | 0 | 111.9 | G107 E108 L109 K114 R115 | G107-S111 PolarHBondContact O-N 3Å; E108-S111 WeakPolarHBondContact O-CB 3.47Å; E108-S111 PolarHBondContact O-N 3.32Å; E108-S111 VanDerWaalsContact O-N 3.15Å; E108-S111 PolarHBondContact O-OG 3.48Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.14Å; S111-K114 PolarHBondContact O-N 3.29Å; S111-R115 PolarHBondContact O-N 2.78Å |
| 112 | L | 92 | Very high | 91.6 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.1 | -77.4 | 165.3 | 0 | 0 | 0 | 111.3 | E108 L109 K114 R115 A116 | E108-L112 WeakPolarHBondContact O-CG 3.34Å; E108-L112 PolarHBondContact O-N 2.66Å; L109-L112 PolarHBondContact O-N 3.3Å; L112-K114 PolarHBondContact O-N 3.44Å; L112-R115 PolarHBondContact O-N 3.02Å; L112-R115 VanDerWaalsContact O-N 3.14Å; L112-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 PolarHBondContact O-N 2.92Å |
| 113 | Q | 92.2 | Very high | 92.1 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 174.7 | -175.7 | 71.9 | 36 | 0 | 0 | 110.6 | L109 R115 A116 D117 | L109-Q113 WeakPolarHBondContact O-CB 3.32Å; L109-Q113 PolarHBondContact O-N 3.5Å; Q113-R115 VanDerWaalsContact C-N 3.29Å; Q113-R115 PolarHBondContact O-N 3.34Å; Q113-A116 WeakPolarHBondContact O-CB 3.49Å; Q113-A116 PolarHBondContact O-N 3.3Å; Q113-D117 PolarHBondContact NE2-OD1 2.9Å; Q113-D117 PolarHBondContact O-N 3.42Å |
| 114 | K | 92 | Very high | 92.5 | Very high | 115 Ų | 115 | 85 Ų | 85 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 176.8 | -78.6 | -179.9 | 171.8 | 174.7 | 0 | 113.2 | H110 S111 L112 K118 | H110-K114 VanDerWaalsContact CE1-CE 3.42Å; H110-K114 WeakPolarHBondContact CE1-CE 3.49Å; H110-K114 PolarHBondContact CE1-NZ 2.74Å; H110-K114 VanDerWaalsContact CE1-NZ 3.29Å; H110-K114 VanDerWaalsContact NE2-CE 3.26Å; H110-K114 WeakPolarHBondContact NE2-CE 3.32Å; H110-K114 WeakPolarHBondContact O-CG 3.42Å; H110-K114 PolarHBondContact O-N 2.95Å; S111-K114 PolarHBondContact O-N 3.29Å; L112-K114 PolarHBondContact O-N 3.44Å; K114-K118 WeakPolarHBondContact O-CG 3.49Å; K114-K118 PolarHBondContact O-N 3.39Å; K114-K118 VanDerWaalsContact O-N 3.15Å |
| 115 | R | 94.3 | Very high | 92.9 | Very high | 149 Ų | 149 | 83.2 Ų | 83.2 | 56% | 0.562 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.8 | -39.2 | 177.3 | -166 | -177.3 | -58.1 | 118.8 | 7.1 | 111.3 | S111 L112 Q113 K118 A119 | S111-R115 PolarHBondContact O-N 2.78Å; L112-R115 PolarHBondContact O-N 3.02Å; L112-R115 VanDerWaalsContact O-N 3.14Å; Q113-R115 VanDerWaalsContact C-N 3.29Å; Q113-R115 PolarHBondContact O-N 3.34Å; R115-K118 PolarHBondContact O-N 3.11Å; R115-A119 WeakPolarHBondContact O-CB 3.42Å; R115-A119 PolarHBondContact O-N 3.03Å |
| 116 | A | 93.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 83.9 Ų | 83.9 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L112 Q113 K118 A119 V120 | L112-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 PolarHBondContact O-N 2.92Å; Q113-A116 WeakPolarHBondContact O-CB 3.49Å; Q113-A116 PolarHBondContact O-N 3.3Å; A116-K118 VanDerWaalsContact C-N 3.33Å; A116-K118 PolarHBondContact O-N 2.99Å; A116-A119 WeakPolarHBondContact O-CB 3.47Å; A116-A119 PolarHBondContact O-N 3.42Å; A116-A119 VanDerWaalsContact O-N 3.07Å; A116-V120 WeakPolarHBondContact O-CG2 3.16Å; A116-V120 PolarHBondContact O-N 3.33Å |
| 117 | D | 91.9 | Very high | 93.5 | Very high | 72 Ų | 72 | 89.1 Ų | 89.1 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 176.6 | -63 | -21.9 | 0 | 0 | 0 | 110.6 | Q113 A119 V120 E121 | Q113-D117 PolarHBondContact NE2-OD1 2.9Å; Q113-D117 PolarHBondContact O-N 3.42Å; D117-A119 VanDerWaalsContact C-N 3.33Å; D117-A119 PolarHBondContact O-N 2.9Å; D117-V120 PolarHBondContact O-N 3.28Å; D117-E121 WeakPolarHBondContact O-CG 3.42Å; D117-E121 PolarHBondContact O-N 3.47Å |
| 118 | K | 94.8 | Very high | 93.9 | Very high | 135 Ų | 135 | 93.8 Ų | 93.8 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.3 | -38.3 | 174 | -74.8 | 179.9 | 179.2 | -171.7 | 0 | 113.2 | K114 R115 A116 E121 F122 | K114-K118 WeakPolarHBondContact O-CG 3.49Å; K114-K118 PolarHBondContact O-N 3.39Å; K114-K118 VanDerWaalsContact O-N 3.15Å; R115-K118 PolarHBondContact O-N 3.11Å; A116-K118 VanDerWaalsContact C-N 3.33Å; A116-K118 PolarHBondContact O-N 2.99Å; K118-E121 PolarHBondContact O-N 2.8Å; K118-F122 HydrophobicContact CB-CE2 4.4Å; K118-F122 WeakPolarHBondContact O-CD2 3.38Å; K118-F122 WeakPolarHBondContact O-CG 3.45Å; K118-F122 PolarHBondContact O-N 2.85Å |
| 119 | A | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 96.4 Ų | 96.4 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R115 A116 D117 F122 E123 | R115-A119 WeakPolarHBondContact O-CB 3.42Å; R115-A119 PolarHBondContact O-N 3.03Å; A116-A119 WeakPolarHBondContact O-CB 3.47Å; A116-A119 PolarHBondContact O-N 3.42Å; A116-A119 VanDerWaalsContact O-N 3.07Å; D117-A119 VanDerWaalsContact C-N 3.33Å; D117-A119 PolarHBondContact O-N 2.9Å; A119-F122 PolarHBondContact O-N 3.31Å; A119-E123 WeakPolarHBondContact O-CG 3.28Å; A119-E123 PolarHBondContact O-N 2.87Å |
| 120 | V | 95.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 99 Ų | 99 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | A116 D117 E123 F124 | A116-V120 WeakPolarHBondContact O-CG2 3.16Å; A116-V120 PolarHBondContact O-N 3.33Å; D117-V120 PolarHBondContact O-N 3.28Å; V120-E123 PolarHBondContact O-N 3.28Å; V120-F124 WeakPolarHBondContact O-CB 3.26Å; V120-F124 PolarHBondContact O-N 2.9Å |
| 121 | E | 95.7 | Very high | 94.6 | Very high | 112 Ų | 112 | 102.6 Ų | 102.6 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.2 | -67.8 | -56.7 | 139.9 | 0 | 0 | 111.8 | D117 K118 E123 F124 E125 | D117-E121 WeakPolarHBondContact O-CG 3.42Å; D117-E121 PolarHBondContact O-N 3.47Å; K118-E121 PolarHBondContact O-N 2.8Å; E121-E123 PolarHBondContact O-N 2.87Å; E121-F124 WeakPolarHBondContact O-CB 3.33Å; E121-F124 PolarHBondContact O-N 3.33Å; E121-E125 WeakPolarHBondContact O-CG 3.2Å; E121-E125 PolarHBondContact O-N 3.45Å |
| 122 | F | 95.2 | Very high | 94.9 | Very high | 136 Ų | 136 | 103.5 Ų | 103.5 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 175.8 | -70.8 | -46 | 0 | 0 | 0 | 113.1 | K118 A119 F124 S126 | K118-F122 HydrophobicContact CB-CE2 4.4Å; K118-F122 WeakPolarHBondContact O-CD2 3.38Å; K118-F122 WeakPolarHBondContact O-CG 3.45Å; K118-F122 PolarHBondContact O-N 2.85Å; A119-F122 PolarHBondContact O-N 3.31Å; F122-F124 VanDerWaalsContact C-N 3.33Å; F122-S126 VanDerWaalsContact O-CB 3.23Å; F122-S126 WeakPolarHBondContact O-CB 3.47Å; F122-S126 PolarHBondContact O-N 3.48Å |
| 123 | E | 96.4 | Very high | 95 | Very high | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 173.7 | -77.2 | -175.8 | -178.7 | 0 | 0 | 112 | A119 V120 E121 S126 R127 | A119-E123 WeakPolarHBondContact O-CG 3.28Å; A119-E123 PolarHBondContact O-N 2.87Å; V120-E123 PolarHBondContact O-N 3.28Å; E121-E123 PolarHBondContact O-N 2.87Å; E123-S126 PolarHBondContact O-N 3.5Å; E123-R127 WeakPolarHBondContact O-CB 3.42Å; E123-R127 PolarHBondContact O-N 2.91Å |
| 124 | F | 94.3 | Very high | 95.3 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 176.4 | 179.7 | -114.4 | 0 | 0 | 0 | 112.1 | V120 E121 F122 R127 K128 | V120-F124 WeakPolarHBondContact O-CB 3.26Å; V120-F124 PolarHBondContact O-N 2.9Å; E121-F124 WeakPolarHBondContact O-CB 3.33Å; E121-F124 PolarHBondContact O-N 3.33Å; F122-F124 VanDerWaalsContact C-N 3.33Å; F124-R127 PolarHBondContact O-N 2.92Å; F124-K128 HydrophobicContact CD1-CD 4.37Å; F124-K128 HydrophobicContact CE1-CD 3.99Å; F124-K128 HydrophobicContact CZ-CD 4.18Å; F124-K128 VanDerWaalsContact CZ-NZ 3.34Å; F124-K128 PolarHBondContact O-N 2.97Å |
| 125 | E | 96.2 | Very high | 95.5 | Very high | 115 Ų | 115 | 102.4 Ų | 102.4 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 173.2 | -72.1 | -177.9 | 171.8 | 0 | 0 | 111.8 | E121 R127 K128 F129 | E121-E125 WeakPolarHBondContact O-CG 3.2Å; E121-E125 PolarHBondContact O-N 3.45Å; E125-R127 VanDerWaalsContact C-N 3.32Å; E125-R127 PolarHBondContact O-N 2.8Å; E125-K128 PolarHBondContact O-N 2.86Å; E125-F129 WeakPolarHBondContact O-CB 3.38Å; E125-F129 PolarHBondContact O-N 2.99Å |
| 126 | S | 93.9 | Very high | 95.6 | Very high | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 112 | F122 E123 F129 K130 | F122-S126 VanDerWaalsContact O-CB 3.23Å; F122-S126 WeakPolarHBondContact O-CB 3.47Å; F122-S126 PolarHBondContact O-N 3.48Å; E123-S126 PolarHBondContact O-N 3.5Å; S126-F129 PolarHBondContact O-N 3.42Å; S126-K130 WeakPolarHBondContact O-CB 3.41Å; S126-K130 PolarHBondContact O-N 3.28Å |
| 127 | R | 97.4 | Very high | 95.8 | Very high | 142 Ų | 142 | 104.5 Ų | 104.5 | 54% | 0.536 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.2 | -172.2 | 179.5 | -57.7 | 146.9 | 8.5 | 111.7 | E123 F124 E125 F129 K130 E131 | E123-R127 WeakPolarHBondContact O-CB 3.42Å; E123-R127 PolarHBondContact O-N 2.91Å; F124-R127 PolarHBondContact O-N 2.92Å; E125-R127 VanDerWaalsContact C-N 3.32Å; E125-R127 PolarHBondContact O-N 2.8Å; R127-F129 VanDerWaalsContact C-N 3.32Å; R127-F129 PolarHBondContact O-N 2.93Å; R127-K130 WeakPolarHBondContact O-CB 3.44Å; R127-K130 PolarHBondContact O-N 3.39Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.93Å |
| 128 | K | 96.7 | Very high | 96 | Very high | 113 Ų | 113 | 104.5 Ų | 104.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.4 | -78.2 | -178 | 169.1 | 175.1 | 0 | 112.4 | F124 E125 K130 E131 S132 | F124-K128 HydrophobicContact CD1-CD 4.37Å; F124-K128 HydrophobicContact CE1-CD 3.99Å; F124-K128 HydrophobicContact CZ-CD 4.18Å; F124-K128 VanDerWaalsContact CZ-NZ 3.34Å; F124-K128 PolarHBondContact O-N 2.97Å; E125-K128 PolarHBondContact O-N 2.86Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K128-E131 PolarHBondContact O-N 3.32Å; K128-S132 WeakPolarHBondContact O-CB 3.27Å; K128-S132 PolarHBondContact O-N 3.11Å |
| 129 | F | 94.8 | Very high | 96.1 | Very high | 151 Ų | 151 | 103.2 Ų | 103.2 | 66% | 0.662 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 177.2 | -174.1 | -96.5 | 0 | 0 | 0 | 111 | E125 S126 R127 S132 C133 | E125-F129 WeakPolarHBondContact O-CB 3.38Å; E125-F129 PolarHBondContact O-N 2.99Å; S126-F129 PolarHBondContact O-N 3.42Å; R127-F129 VanDerWaalsContact C-N 3.32Å; R127-F129 PolarHBondContact O-N 2.93Å; F129-S132 PolarHBondContact O-N 2.81Å; F129-C133 VanDerWaalsContact CE1-SG 3.53Å; F129-C133 PolarHBondContact O-N 2.91Å; F129-C133 PolarHBondContact O-SG 3.43Å; F129-C133 VanDerWaalsContact O-SG 3.36Å |
| 130 | K | 97 | Very high | 96.2 | Very high | 138 Ų | 138 | 104.5 Ų | 104.5 | 60% | 0.6 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 176.2 | -173.4 | 176.4 | 179.3 | -179.8 | 0 | 112.5 | S126 R127 K128 S132 C133 D134 | S126-K130 WeakPolarHBondContact O-CB 3.41Å; S126-K130 PolarHBondContact O-N 3.28Å; R127-K130 WeakPolarHBondContact O-CB 3.44Å; R127-K130 PolarHBondContact O-N 3.39Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K130-S132 VanDerWaalsContact C-N 3.34Å; K130-S132 PolarHBondContact O-N 3.45Å; K130-C133 WeakPolarHBondContact O-CB 3.19Å; K130-C133 PolarHBondContact O-N 3.36Å; K130-C133 VanDerWaalsContact O-N 3.17Å; K130-D134 PolarHBondContact O-N 3.28Å |
| 131 | E | 97.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 106.1 Ų | 106.1 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 174.7 | -73.5 | 168.3 | -177 | 0 | 0 | 111.2 | R127 K128 C133 D134 E135 | R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.93Å; K128-E131 PolarHBondContact O-N 3.32Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 2.82Å; E131-D134 PolarHBondContact O-N 3.46Å; E131-E135 WeakPolarHBondContact O-CG 3.28Å; E131-E135 PolarHBondContact O-N 3.31Å |
| 132 | S | 96.5 | Very high | 96.2 | Very high | 58 Ų | 58 | 105.8 Ų | 105.8 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | K128 F129 K130 L136 | K128-S132 WeakPolarHBondContact O-CB 3.27Å; K128-S132 PolarHBondContact O-N 3.11Å; F129-S132 PolarHBondContact O-N 2.81Å; K130-S132 VanDerWaalsContact C-N 3.34Å; K130-S132 PolarHBondContact O-N 3.45Å; S132-L136 WeakPolarHBondContact O-CB 3.5Å; S132-L136 VanDerWaalsContact O-CG 3.29Å; S132-L136 WeakPolarHBondContact O-CG 3.26Å; S132-L136 PolarHBondContact O-N 3.01Å |
| 133 | C | 95.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 104.7 Ų | 104.7 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 174.2 | -74.2 | 0 | 0 | 0 | 0 | 112 | F129 K130 E131 L136 K137 | F129-C133 VanDerWaalsContact CE1-SG 3.53Å; F129-C133 PolarHBondContact O-N 2.91Å; F129-C133 PolarHBondContact O-SG 3.43Å; F129-C133 VanDerWaalsContact O-SG 3.36Å; K130-C133 WeakPolarHBondContact O-CB 3.19Å; K130-C133 PolarHBondContact O-N 3.36Å; K130-C133 VanDerWaalsContact O-N 3.17Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 2.82Å; C133-L136 PolarHBondContact O-N 3.49Å; C133-K137 VanDerWaalsContact O-CB 3.29Å; C133-K137 WeakPolarHBondContact O-CB 3.17Å; C133-K137 PolarHBondContact O-N 2.92Å |
| 134 | D | 97.2 | Very high | 96.3 | Very high | 82 Ų | 82 | 104 Ų | 104 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 178 | -73.7 | -28.4 | 0 | 0 | 0 | 111 | K130 E131 K137 T138 | K130-D134 PolarHBondContact O-N 3.28Å; E131-D134 PolarHBondContact O-N 3.46Å; D134-K137 WeakPolarHBondContact O-CB 3.43Å; D134-K137 PolarHBondContact O-N 3.09Å; D134-T138 WeakPolarHBondContact O-CG2 3.46Å; D134-T138 PolarHBondContact O-N 3.31Å; D134-T138 PolarHBondContact O-OG1 2.92Å |
| 135 | E | 97.4 | Very high | 96.4 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 172.7 | -74.1 | -174.7 | -169.7 | 0 | 0 | 113.4 | E131 K137 T138 K139 | E131-E135 WeakPolarHBondContact O-CG 3.28Å; E131-E135 PolarHBondContact O-N 3.31Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-T138 PolarHBondContact O-OG1 2.85Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.31Å; E135-K139 WeakPolarHBondContact O-CG 3.43Å; E135-K139 PolarHBondContact O-N 2.84Å; E135-K139 VanDerWaalsContact O-N 3.08Å |
| 136 | L | 94.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 174.8 | -77.3 | 168.9 | 0 | 0 | 0 | 110.7 | S132 C133 K139 V140 | S132-L136 WeakPolarHBondContact O-CB 3.5Å; S132-L136 VanDerWaalsContact O-CG 3.29Å; S132-L136 WeakPolarHBondContact O-CG 3.26Å; S132-L136 PolarHBondContact O-N 3.01Å; C133-L136 PolarHBondContact O-N 3.49Å; L136-K139 PolarHBondContact O-N 3.33Å; L136-V140 WeakPolarHBondContact O-CB 3.38Å; L136-V140 VanDerWaalsContact O-CG2 3.23Å; L136-V140 WeakPolarHBondContact O-CG2 3.47Å; L136-V140 PolarHBondContact O-N 3.45Å |
| 137 | K | 97.4 | Very high | 96.5 | Very high | 145 Ų | 145 | 105.8 Ų | 105.8 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 177.7 | -173.6 | 178.8 | 177.1 | -176.3 | 0 | 112.2 | C133 D134 E135 V140 Q141 | C133-K137 VanDerWaalsContact O-CB 3.29Å; C133-K137 WeakPolarHBondContact O-CB 3.17Å; C133-K137 PolarHBondContact O-N 2.92Å; D134-K137 WeakPolarHBondContact O-CB 3.43Å; D134-K137 PolarHBondContact O-N 3.09Å; E135-K137 VanDerWaalsContact C-N 3.3Å; K137-V140 PolarHBondContact O-N 2.97Å; K137-Q141 PolarHBondContact O-N 2.9Å |
| 138 | T | 97.1 | Very high | 96.5 | Very high | 73 Ų | 73 | 106.2 Ų | 106.2 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | D134 E135 V140 Q141 E142 | D134-T138 WeakPolarHBondContact O-CG2 3.46Å; D134-T138 PolarHBondContact O-N 3.31Å; D134-T138 PolarHBondContact O-OG1 2.92Å; E135-T138 PolarHBondContact O-OG1 2.85Å; T138-V140 VanDerWaalsContact C-N 3.32Å; T138-V140 PolarHBondContact O-N 3.15Å; T138-Q141 WeakPolarHBondContact O-CB 3.25Å; T138-Q141 PolarHBondContact O-N 3.34Å; T138-E142 PolarHBondContact O-N 3.44Å |
| 139 | K | 96.8 | Very high | 96.5 | Very high | 108 Ų | 108 | 106.1 Ų | 106.1 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 175.1 | -72.9 | 170.4 | -176.6 | 163.8 | 0 | 112.4 | E135 L136 Q141 E142 L143 | E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.31Å; E135-K139 WeakPolarHBondContact O-CG 3.43Å; E135-K139 PolarHBondContact O-N 2.84Å; E135-K139 VanDerWaalsContact O-N 3.08Å; L136-K139 PolarHBondContact O-N 3.33Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 2.88Å; K139-E142 PolarHBondContact O-N 3.48Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 2.83Å |
| 140 | V | 96.2 | Very high | 96.4 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.5 | 167.2 | 0 | 0 | 0 | 0 | 111.6 | L136 K137 T138 K144 | L136-V140 WeakPolarHBondContact O-CB 3.38Å; L136-V140 VanDerWaalsContact O-CG2 3.23Å; L136-V140 WeakPolarHBondContact O-CG2 3.47Å; L136-V140 PolarHBondContact O-N 3.45Å; K137-V140 PolarHBondContact O-N 2.97Å; T138-V140 VanDerWaalsContact C-N 3.32Å; T138-V140 PolarHBondContact O-N 3.15Å; V140-K144 HydrophobicContact CG1-CD 4.44Å; V140-K144 WeakPolarHBondContact O-CG 3.44Å; V140-K144 PolarHBondContact O-N 2.89Å |
| 141 | Q | 96 | Very high | 96.4 | Very high | 120 Ų | 120 | 101.9 Ų | 101.9 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.2 | -40.3 | 176.7 | -172 | 173.1 | -7.7 | 0 | 0 | 112.1 | K137 T138 K139 K144 N145 | K137-Q141 PolarHBondContact O-N 2.9Å; T138-Q141 WeakPolarHBondContact O-CB 3.25Å; T138-Q141 PolarHBondContact O-N 3.34Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 2.88Å; Q141-K144 PolarHBondContact O-N 3.45Å; Q141-N145 VanDerWaalsContact O-CG 3.28Å; Q141-N145 PolarHBondContact O-N 2.99Å; Q141-N145 PolarHBondContact O-OD1 3.29Å |
| 142 | E | 96.6 | Very high | 96.4 | Very high | 104 Ų | 104 | 106.6 Ų | 106.6 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 173.4 | -71.2 | 175.8 | -178.6 | 0 | 0 | 111.7 | T138 K139 K144 N145 Y146 | T138-E142 PolarHBondContact O-N 3.44Å; K139-E142 PolarHBondContact O-N 3.48Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 2.85Å; E142-N145 WeakPolarHBondContact O-CA 3.48Å; E142-N145 WeakPolarHBondContact O-CB 3.42Å; E142-N145 PolarHBondContact O-N 3.28Å; E142-Y146 HydrophobicContact CB-CE2 4.27Å; E142-Y146 WeakPolarHBondContact O-CD2 3.21Å; E142-Y146 PolarHBondContact O-N 2.89Å |
| 143 | L | 96.2 | Very high | 96.4 | Very high | 114 Ų | 114 | 109 Ų | 109 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58 | -40.3 | 175.3 | -74.8 | 174.7 | 0 | 0 | 0 | 112 | K139 N145 Y146 E147 | K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 2.83Å; L143-N145 VanDerWaalsContact C-N 3.31Å; L143-N145 PolarHBondContact O-N 3.39Å; L143-Y146 PolarHBondContact O-N 3.46Å; L143-E147 WeakPolarHBondContact O-CB 3.48Å; L143-E147 PolarHBondContact O-N 2.86Å |
| 144 | K | 96.8 | Very high | 96.4 | Very high | 110 Ų | 110 | 112.3 Ų | 112.3 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -34.6 | 173.4 | -76.1 | 176.3 | -179.9 | -179.4 | 0 | 112.6 | V140 Q141 E142 R148 | V140-K144 HydrophobicContact CG1-CD 4.44Å; V140-K144 WeakPolarHBondContact O-CG 3.44Å; V140-K144 PolarHBondContact O-N 2.89Å; Q141-K144 PolarHBondContact O-N 3.45Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 2.85Å; K144-R148 WeakPolarHBondContact O-CG 3.4Å; K144-R148 PolarHBondContact O-N 3.49Å; K144-R148 VanDerWaalsContact O-N 3.17Å |
| 145 | N | 95.8 | Very high | 96.4 | Very high | 75 Ų | 75 | 115.2 Ų | 115.2 | 40% | 0.401 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 175.5 | -66.1 | -18.8 | 0 | 0 | 0 | 110.7 | Q141 E142 L143 E147 R148 E149 | Q141-N145 VanDerWaalsContact O-CG 3.28Å; Q141-N145 PolarHBondContact O-N 2.99Å; Q141-N145 PolarHBondContact O-OD1 3.29Å; E142-N145 WeakPolarHBondContact O-CA 3.48Å; E142-N145 WeakPolarHBondContact O-CB 3.42Å; E142-N145 PolarHBondContact O-N 3.28Å; L143-N145 VanDerWaalsContact C-N 3.31Å; L143-N145 PolarHBondContact O-N 3.39Å; N145-E147 VanDerWaalsContact C-N 3.3Å; N145-E147 PolarHBondContact O-N 3.32Å; N145-R148 PolarHBondContact O-N 2.91Å; N145-R148 PolarHBondContact OD1-NH1 3.31Å; N145-E149 PolarHBondContact O-N 3.21Å |
| 146 | Y | 95.6 | Very high | 96.4 | Very high | 148 Ų | 148 | 116.6 Ų | 116.6 | 58% | 0.58 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -38.2 | 174.9 | -69 | -57 | 0 | 0 | 0 | 112.3 | E142 L143 R148 E149 N150 | E142-Y146 HydrophobicContact CB-CE2 4.27Å; E142-Y146 WeakPolarHBondContact O-CD2 3.21Å; E142-Y146 PolarHBondContact O-N 2.89Å; L143-Y146 PolarHBondContact O-N 3.46Å; Y146-R148 PolarHBondContact O-N 3.02Å; Y146-E149 PolarHBondContact O-N 2.83Å; Y146-N150 VanDerWaalsContact O-CB 3.23Å; Y146-N150 WeakPolarHBondContact O-CB 3.45Å; Y146-N150 PolarHBondContact O-N 3.44Å |
| 147 | E | 97.4 | Very high | 96.4 | Very high | 100 Ų | 100 | 117 Ų | 117 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.4 | -166 | -164.6 | 153 | 0 | 0 | 112 | L143 N145 K151 | L143-E147 WeakPolarHBondContact O-CB 3.48Å; L143-E147 PolarHBondContact O-N 2.86Å; N145-E147 VanDerWaalsContact C-N 3.3Å; N145-E147 PolarHBondContact O-N 3.32Å; E147-K151 WeakPolarHBondContact O-CB 3.46Å; E147-K151 WeakPolarHBondContact O-CG 3.09Å; E147-K151 PolarHBondContact O-N 3.4Å; E147-K151 WeakPolarHBondContact OE1-CE 3.42Å; E147-K151 IonicContact OE1-NZ 3.56Å; E147-K151 PolarHBondContact OE1-NZ 3.39Å |
| 148 | R | 96.7 | Very high | 96.4 | Very high | 151 Ų | 151 | 114.9 Ų | 114.9 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 176.1 | -70.4 | -175.3 | -146.9 | 112.9 | 1.8 | 111.9 | K144 N145 Y146 K151 R152 | K144-R148 WeakPolarHBondContact O-CG 3.4Å; K144-R148 PolarHBondContact O-N 3.49Å; K144-R148 VanDerWaalsContact O-N 3.17Å; N145-R148 PolarHBondContact O-N 2.91Å; N145-R148 PolarHBondContact OD1-NH1 3.31Å; Y146-R148 PolarHBondContact O-N 3.02Å; R148-K151 PolarHBondContact O-N 3.35Å; R148-R152 PolarHBondContact O-N 3.17Å |
| 149 | E | 96.6 | Very high | 96.4 | Very high | 110 Ų | 110 | 116.4 Ų | 116.4 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177.2 | -174.5 | 171.9 | -165 | 0 | 0 | 111.6 | N145 Y146 K151 R152 L153 | N145-E149 PolarHBondContact O-N 3.21Å; Y146-E149 PolarHBondContact O-N 2.83Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 2.86Å; E149-R152 WeakPolarHBondContact O-CB 3.48Å; E149-R152 PolarHBondContact O-N 3.14Å; E149-L153 HydrophobicContact CG-CD1 4.18Å; E149-L153 WeakPolarHBondContact O-CG 3.49Å; E149-L153 PolarHBondContact O-N 2.95Å |
| 150 | N | 93.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 115.3 Ų | 115.3 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.6 | -159.4 | -30.1 | 0 | 0 | 0 | 111.2 | Y146 R152 L153 K154 | Y146-N150 VanDerWaalsContact O-CB 3.23Å; Y146-N150 WeakPolarHBondContact O-CB 3.45Å; Y146-N150 PolarHBondContact O-N 3.44Å; N150-R152 PolarHBondContact O-N 3.2Å; N150-L153 PolarHBondContact O-N 3.31Å; N150-K154 WeakPolarHBondContact O-CB 3.27Å; N150-K154 VanDerWaalsContact O-CG 3.28Å; N150-K154 WeakPolarHBondContact O-CG 3.38Å; N150-K154 PolarHBondContact O-N 3.48Å; N150-K154 VanDerWaalsContact OD1-CE 3.23Å; N150-K154 WeakPolarHBondContact OD1-CE 3.27Å |
| 151 | K | 96.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 115.2 Ų | 115.2 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 170.8 | -79.3 | 171.6 | 171.6 | 166.9 | 0 | 112.6 | E147 R148 E149 K155 | E147-K151 WeakPolarHBondContact O-CB 3.46Å; E147-K151 WeakPolarHBondContact O-CG 3.09Å; E147-K151 PolarHBondContact O-N 3.4Å; E147-K151 WeakPolarHBondContact OE1-CE 3.42Å; E147-K151 IonicContact OE1-NZ 3.56Å; E147-K151 PolarHBondContact OE1-NZ 3.39Å; R148-K151 PolarHBondContact O-N 3.35Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 2.86Å; K151-K155 WeakPolarHBondContact O-CG 3.5Å; K151-K155 PolarHBondContact O-N 3.15Å; K151-K155 VanDerWaalsContact O-N 3.09Å |
| 152 | R | 97.2 | Very high | 96.4 | Very high | 203 Ų | 203 | 113.9 Ų | 113.9 | 77% | 0.766 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 176.4 | -177.6 | -177.5 | 175.9 | -177.7 | -1.3 | 111.6 | R148 E149 N150 R156 | R148-R152 PolarHBondContact O-N 3.17Å; E149-R152 WeakPolarHBondContact O-CB 3.48Å; E149-R152 PolarHBondContact O-N 3.14Å; N150-R152 PolarHBondContact O-N 3.2Å; R152-R156 WeakPolarHBondContact O-CB 3.17Å; R152-R156 PolarHBondContact O-N 2.86Å |
| 153 | L | 95.9 | Very high | 96.5 | Very high | 107 Ų | 107 | 112.1 Ų | 112.1 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 178 | -72.2 | 171.6 | 0 | 0 | 0 | 111.8 | E149 N150 R156 L157 | E149-L153 HydrophobicContact CG-CD1 4.18Å; E149-L153 WeakPolarHBondContact O-CG 3.49Å; E149-L153 PolarHBondContact O-N 2.95Å; N150-L153 PolarHBondContact O-N 3.31Å; L153-R156 PolarHBondContact O-N 2.93Å; L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 3.4Å |
| 154 | K | 96.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 111.4 Ų | 111.4 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -50.3 | 174 | -76.7 | 176.3 | 176.5 | -178.9 | 0 | 112 | N150 R156 L157 D158 | N150-K154 WeakPolarHBondContact O-CB 3.27Å; N150-K154 VanDerWaalsContact O-CG 3.28Å; N150-K154 WeakPolarHBondContact O-CG 3.38Å; N150-K154 PolarHBondContact O-N 3.48Å; N150-K154 VanDerWaalsContact OD1-CE 3.23Å; N150-K154 WeakPolarHBondContact OD1-CE 3.27Å; K154-R156 VanDerWaalsContact C-N 3.27Å; K154-R156 PolarHBondContact O-N 3.25Å; K154-L157 WeakPolarHBondContact O-CB 3.3Å; K154-L157 PolarHBondContact O-N 3.07Å; K154-L157 VanDerWaalsContact O-N 3.1Å; K154-D158 VanDerWaalsContact O-CG 3.25Å; K154-D158 PolarHBondContact O-N 2.74Å |
| 155 | K | 97.3 | Very high | 96.4 | Very high | 142 Ų | 142 | 112.3 Ų | 112.3 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.6 | -41.6 | 174.9 | -76.3 | -175.3 | 176.3 | -168.9 | 0 | 112.4 | K151 L157 D158 E159 | K151-K155 WeakPolarHBondContact O-CG 3.5Å; K151-K155 PolarHBondContact O-N 3.15Å; K151-K155 VanDerWaalsContact O-N 3.09Å; K155-L157 VanDerWaalsContact C-N 3.34Å; K155-D158 PolarHBondContact O-N 3.42Å; K155-E159 WeakPolarHBondContact O-CB 3.33Å; K155-E159 VanDerWaalsContact O-CG 3.29Å; K155-E159 WeakPolarHBondContact O-CG 3.47Å; K155-E159 PolarHBondContact O-N 3.03Å |
| 156 | R | 97.6 | Very high | 96.4 | Very high | 141 Ų | 141 | 112.3 Ų | 112.3 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 178.7 | -171.8 | 55.8 | 173.2 | 178.1 | 3.3 | 112.5 | R152 L153 K154 E159 L160 | R152-R156 WeakPolarHBondContact O-CB 3.17Å; R152-R156 PolarHBondContact O-N 2.86Å; L153-R156 PolarHBondContact O-N 2.93Å; K154-R156 VanDerWaalsContact C-N 3.27Å; K154-R156 PolarHBondContact O-N 3.25Å; R156-E159 WeakPolarHBondContact CD-OE2 3.47Å; R156-E159 IonicContact CZ-OE2 3.88Å; R156-E159 IonicContact NH1-OE2 3.7Å; R156-E159 PolarHBondContact NH1-OE2 2.83Å; R156-L160 HydrophobicContact CG-CD1 4.39Å; R156-L160 WeakPolarHBondContact O-CB 3.46Å; R156-L160 WeakPolarHBondContact O-CG 3.25Å; R156-L160 PolarHBondContact O-N 3.4Å |
| 157 | L | 95.5 | Very high | 96.5 | Very high | 108 Ų | 108 | 111.4 Ų | 111.4 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -44.4 | 174.6 | -174.9 | 66.1 | 0 | 0 | 0 | 110.9 | L153 K154 K155 L160 T161 | L153-L157 WeakPolarHBondContact O-CB 3.42Å; L153-L157 PolarHBondContact O-N 3.4Å; K154-L157 WeakPolarHBondContact O-CB 3.3Å; K154-L157 PolarHBondContact O-N 3.07Å; K154-L157 VanDerWaalsContact O-N 3.1Å; K155-L157 VanDerWaalsContact C-N 3.34Å; L157-L160 PolarHBondContact O-N 2.97Å; L157-T161 WeakPolarHBondContact O-CB 3.1Å; L157-T161 PolarHBondContact O-N 2.97Å; L157-T161 PolarHBondContact O-OG1 3.03Å |
| 158 | D | 97.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 111.8 Ų | 111.8 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.1 | -61.9 | -24.9 | 0 | 0 | 0 | 111 | K154 K155 L160 T161 V162 | K154-D158 VanDerWaalsContact O-CG 3.25Å; K154-D158 PolarHBondContact O-N 2.74Å; K155-D158 PolarHBondContact O-N 3.42Å; D158-L160 PolarHBondContact O-N 3.5Å; D158-T161 PolarHBondContact O-N 2.85Å; D158-V162 WeakPolarHBondContact O-CB 3.31Å; D158-V162 VanDerWaalsContact O-CG2 3.32Å; D158-V162 WeakPolarHBondContact O-CG2 3.45Å; D158-V162 PolarHBondContact O-N 3.44Å |
| 159 | E | 96.9 | Very high | 96.3 | Very high | 105 Ų | 105 | 111.1 Ų | 111.1 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.7 | -77 | 169.4 | -166.4 | 0 | 0 | 112.6 | K155 R156 S163 | K155-E159 WeakPolarHBondContact O-CB 3.33Å; K155-E159 VanDerWaalsContact O-CG 3.29Å; K155-E159 WeakPolarHBondContact O-CG 3.47Å; K155-E159 PolarHBondContact O-N 3.03Å; R156-E159 WeakPolarHBondContact CD-OE2 3.47Å; R156-E159 IonicContact CZ-OE2 3.88Å; R156-E159 IonicContact NH1-OE2 3.7Å; R156-E159 PolarHBondContact NH1-OE2 2.83Å; E159-S163 VanDerWaalsContact O-CB 3.32Å; E159-S163 WeakPolarHBondContact O-CB 3.41Å; E159-S163 PolarHBondContact O-N 3.36Å |
| 160 | L | 96.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 110.5 Ų | 110.5 | 45% | 0.445 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 178.6 | -74.8 | 172.7 | 0 | 0 | 0 | 111.6 | R156 L157 D158 S163 L164 | R156-L160 HydrophobicContact CG-CD1 4.39Å; R156-L160 WeakPolarHBondContact O-CB 3.46Å; R156-L160 WeakPolarHBondContact O-CG 3.25Å; R156-L160 PolarHBondContact O-N 3.4Å; L157-L160 PolarHBondContact O-N 2.97Å; D158-L160 PolarHBondContact O-N 3.5Å; L160-S163 PolarHBondContact O-N 2.98Å; L160-L164 WeakPolarHBondContact O-CB 3.42Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.22Å |
| 161 | T | 96 | Very high | 96.4 | Very high | 70 Ų | 70 | 110.8 Ų | 110.8 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -48.9 | 177.8 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | L157 D158 S163 L164 E165 | L157-T161 WeakPolarHBondContact O-CB 3.1Å; L157-T161 PolarHBondContact O-N 2.97Å; L157-T161 PolarHBondContact O-OG1 3.03Å; D158-T161 PolarHBondContact O-N 2.85Å; T161-S163 VanDerWaalsContact C-N 3.34Å; T161-S163 PolarHBondContact O-N 2.89Å; T161-L164 PolarHBondContact O-N 2.96Å; T161-E165 WeakPolarHBondContact O-CB 3.37Å; T161-E165 PolarHBondContact O-N 3.29Å |
| 162 | V | 97.2 | Very high | 96.3 | Very high | 93 Ų | 93 | 107.8 Ų | 107.8 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | D158 L164 E165 T166 | D158-V162 WeakPolarHBondContact O-CB 3.31Å; D158-V162 VanDerWaalsContact O-CG2 3.32Å; D158-V162 WeakPolarHBondContact O-CG2 3.45Å; D158-V162 PolarHBondContact O-N 3.44Å; V162-L164 PolarHBondContact O-N 3.32Å; V162-E165 PolarHBondContact O-N 3.41Å; V162-T166 HydrophobicContact CG1-CG2 4.25Å; V162-T166 WeakPolarHBondContact O-CB 3.18Å; V162-T166 WeakPolarHBondContact O-CG2 3.41Å; V162-T166 PolarHBondContact O-N 3.08Å; V162-T166 PolarHBondContact O-OG1 3.28Å |
| 163 | S | 97.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | E159 L160 T161 T166 Q167 | E159-S163 VanDerWaalsContact O-CB 3.32Å; E159-S163 WeakPolarHBondContact O-CB 3.41Å; E159-S163 PolarHBondContact O-N 3.36Å; L160-S163 PolarHBondContact O-N 2.98Å; T161-S163 VanDerWaalsContact C-N 3.34Å; T161-S163 PolarHBondContact O-N 2.89Å; S163-T166 WeakPolarHBondContact CA-OG1 3.41Å; S163-T166 PolarHBondContact O-OG1 2.92Å; S163-Q167 WeakPolarHBondContact O-CB 3.4Å; S163-Q167 PolarHBondContact O-N 3.29Å |
| 164 | L | 95.6 | Very high | 96.3 | Very high | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -42.7 | 177 | -74.6 | 172.4 | 0 | 0 | 0 | 111.5 | L160 T161 V162 Q167 I168 | L160-L164 WeakPolarHBondContact O-CB 3.42Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.22Å; T161-L164 PolarHBondContact O-N 2.96Å; V162-L164 PolarHBondContact O-N 3.32Å; L164-Q167 PolarHBondContact O-N 3.31Å; L164-I168 WeakPolarHBondContact O-CB 3.33Å; L164-I168 VanDerWaalsContact O-CG1 3.28Å; L164-I168 WeakPolarHBondContact O-CG1 3.49Å; L164-I168 PolarHBondContact O-N 2.98Å |
| 165 | E | 96.7 | Very high | 96.3 | Very high | 129 Ų | 129 | 99.4 Ų | 99.4 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 178.7 | -174.6 | 134.6 | -146.7 | 0 | 0 | 111.6 | T161 V162 Q167 I168 Q169 | T161-E165 WeakPolarHBondContact O-CB 3.37Å; T161-E165 PolarHBondContact O-N 3.29Å; V162-E165 PolarHBondContact O-N 3.41Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; E165-Q167 PolarHBondContact O-N 3.06Å; E165-I168 PolarHBondContact O-N 2.9Å; E165-Q169 VanDerWaalsContact O-CB 3.29Å; E165-Q169 WeakPolarHBondContact O-CB 3.45Å; E165-Q169 PolarHBondContact O-N 2.89Å |
| 166 | T | 95.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 97 Ų | 97 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 173.8 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | V162 S163 L170 | V162-T166 HydrophobicContact CG1-CG2 4.25Å; V162-T166 WeakPolarHBondContact O-CB 3.18Å; V162-T166 WeakPolarHBondContact O-CG2 3.41Å; V162-T166 PolarHBondContact O-N 3.08Å; V162-T166 PolarHBondContact O-OG1 3.28Å; S163-T166 WeakPolarHBondContact CA-OG1 3.41Å; S163-T166 PolarHBondContact O-OG1 2.92Å; T166-L170 VanDerWaalsContact O-CB 3.23Å; T166-L170 WeakPolarHBondContact O-CB 3.23Å; T166-L170 PolarHBondContact O-N 3.48Å |
| 167 | Q | 97 | Very high | 96.1 | Very high | 129 Ų | 129 | 93.9 Ų | 93.9 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -42.1 | 175.7 | -171.8 | 175 | 13.4 | 0 | 0 | 112.1 | S163 L164 E165 L170 N171 | S163-Q167 WeakPolarHBondContact O-CB 3.4Å; S163-Q167 PolarHBondContact O-N 3.29Å; L164-Q167 PolarHBondContact O-N 3.31Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; E165-Q167 PolarHBondContact O-N 3.06Å; Q167-L170 PolarHBondContact O-N 3.02Å; Q167-N171 WeakPolarHBondContact O-CB 3.41Å; Q167-N171 PolarHBondContact O-N 2.92Å |
| 168 | I | 94.1 | Very high | 96 | Very high | 108 Ų | 108 | 92.8 Ų | 92.8 | 55% | 0.554 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 176.3 | -70.6 | 166 | 0 | 0 | 0 | 110.4 | L164 E165 N171 S172 | L164-I168 WeakPolarHBondContact O-CB 3.33Å; L164-I168 VanDerWaalsContact O-CG1 3.28Å; L164-I168 WeakPolarHBondContact O-CG1 3.49Å; L164-I168 PolarHBondContact O-N 2.98Å; E165-I168 PolarHBondContact O-N 2.9Å; I168-N171 PolarHBondContact O-N 2.82Å; I168-S172 VanDerWaalsContact O-CB 3.27Å; I168-S172 WeakPolarHBondContact O-CB 3.34Å; I168-S172 PolarHBondContact O-N 3.31Å; I168-S172 PolarHBondContact O-OG 2.91Å |
| 169 | Q | 96.2 | Very high | 95.9 | Very high | 137 Ų | 137 | 95.3 Ų | 95.3 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 177.9 | -170.6 | 176.6 | 16.5 | 0 | 0 | 111.2 | E165 S172 S173 | E165-Q169 VanDerWaalsContact O-CB 3.29Å; E165-Q169 WeakPolarHBondContact O-CB 3.45Å; E165-Q169 PolarHBondContact O-N 2.89Å; Q169-S172 PolarHBondContact O-N 3.09Å; Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.41Å; Q169-S173 PolarHBondContact O-N 2.73Å |
| 170 | L | 96 | Very high | 95.8 | Very high | 97 Ų | 97 | 94.7 Ų | 94.7 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.5 | -175 | 148.2 | 0 | 0 | 0 | 111.9 | T166 Q167 K174 | T166-L170 VanDerWaalsContact O-CB 3.23Å; T166-L170 WeakPolarHBondContact O-CB 3.23Å; T166-L170 PolarHBondContact O-N 3.48Å; Q167-L170 PolarHBondContact O-N 3.02Å; L170-K174 HydrophobicContact CD2-CD 3.91Å; L170-K174 VanDerWaalsContact CD2-CE 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.49Å; L170-K174 PolarHBondContact O-N 3.11Å; L170-K174 VanDerWaalsContact O-N 3.08Å |
| 171 | N | 95.7 | Very high | 95.8 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 176.1 | -168.4 | 46.1 | 0 | 0 | 0 | 111.9 | Q167 I168 S173 K174 I175 | Q167-N171 WeakPolarHBondContact O-CB 3.41Å; Q167-N171 PolarHBondContact O-N 2.92Å; I168-N171 PolarHBondContact O-N 2.82Å; N171-S173 PolarHBondContact O-N 3.19Å; N171-K174 PolarHBondContact O-N 2.78Å; N171-I175 VanDerWaalsContact O-CG1 3.32Å; N171-I175 WeakPolarHBondContact O-CG1 3.3Å; N171-I175 PolarHBondContact O-N 3.37Å |
| 172 | S | 94.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 99 Ų | 99 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I168 Q169 K174 I175 V176 | I168-S172 VanDerWaalsContact O-CB 3.27Å; I168-S172 WeakPolarHBondContact O-CB 3.34Å; I168-S172 PolarHBondContact O-N 3.31Å; I168-S172 PolarHBondContact O-OG 2.91Å; Q169-S172 PolarHBondContact O-N 3.09Å; S172-K174 PolarHBondContact O-N 3.42Å; S172-I175 PolarHBondContact O-N 2.94Å; S172-V176 WeakPolarHBondContact O-CB 3.37Å; S172-V176 VanDerWaalsContact O-CG2 3.29Å; S172-V176 WeakPolarHBondContact O-CG2 3.49Å; S172-V176 PolarHBondContact O-N 3.02Å |
| 173 | S | 96.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 98.8 Ų | 98.8 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.2 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | Q169 N171 I175 V176 D177 | Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.41Å; Q169-S173 PolarHBondContact O-N 2.73Å; N171-S173 PolarHBondContact O-N 3.19Å; S173-I175 PolarHBondContact O-N 3.4Å; S173-V176 PolarHBondContact O-N 2.94Å; S173-D177 WeakPolarHBondContact O-CB 3.37Å; S173-D177 PolarHBondContact O-N 2.89Å |
| 174 | K | 96.5 | Very high | 95.5 | Very high | 128 Ų | 128 | 99.7 Ų | 99.7 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 177.3 | -76.2 | 175.6 | 176.5 | -179.6 | 0 | 112.5 | L170 N171 S172 D177 E178 | L170-K174 HydrophobicContact CD2-CD 3.91Å; L170-K174 VanDerWaalsContact CD2-CE 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.49Å; L170-K174 PolarHBondContact O-N 3.11Å; L170-K174 VanDerWaalsContact O-N 3.08Å; N171-K174 PolarHBondContact O-N 2.78Å; S172-K174 PolarHBondContact O-N 3.42Å; K174-D177 PolarHBondContact O-N 2.91Å; K174-E178 WeakPolarHBondContact O-CB 3.48Å; K174-E178 PolarHBondContact O-N 3Å |
| 175 | I | 95.5 | Very high | 95.6 | Very high | 70 Ų | 70 | 98.1 Ų | 98.1 | 36% | 0.359 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 179.1 | -69.7 | 168.4 | 0 | 0 | 0 | 110.2 | N171 S172 S173 E178 Y179 | N171-I175 VanDerWaalsContact O-CG1 3.32Å; N171-I175 WeakPolarHBondContact O-CG1 3.3Å; N171-I175 PolarHBondContact O-N 3.37Å; S172-I175 PolarHBondContact O-N 2.94Å; S173-I175 PolarHBondContact O-N 3.4Å; I175-E178 PolarHBondContact O-N 3.34Å; I175-Y179 HydrophobicContact CG2-CD2 3.56Å; I175-Y179 HydrophobicContact CG2-CE2 3.48Å; I175-Y179 VanDerWaalsContact CG2-CE2 3.48Å; I175-Y179 WeakPolarHBondContact O-CD2 3.42Å; I175-Y179 PolarHBondContact O-N 2.83Å |
| 176 | V | 95.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 94.5 Ų | 94.5 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 176.3 | 170 | 0 | 0 | 0 | 0 | 111 | S172 S173 E178 Y179 Q180 | S172-V176 WeakPolarHBondContact O-CB 3.37Å; S172-V176 VanDerWaalsContact O-CG2 3.29Å; S172-V176 WeakPolarHBondContact O-CG2 3.49Å; S172-V176 PolarHBondContact O-N 3.02Å; S173-V176 PolarHBondContact O-N 2.94Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 3.32Å; V176-Y179 PolarHBondContact O-N 3.22Å; V176-Q180 VanDerWaalsContact O-CB 3.26Å; V176-Q180 WeakPolarHBondContact O-CB 3.44Å; V176-Q180 PolarHBondContact O-N 3.46Å |
| 177 | D | 95.1 | Very high | 95.4 | Very high | 75 Ų | 75 | 96.5 Ų | 96.5 | 40% | 0.401 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 177.6 | -70.4 | -16.4 | 0 | 0 | 0 | 112.1 | S173 K174 R181 | S173-D177 WeakPolarHBondContact O-CB 3.37Å; S173-D177 PolarHBondContact O-N 2.89Å; K174-D177 PolarHBondContact O-N 2.91Å; D177-R181 WeakPolarHBondContact O-CG 3.27Å; D177-R181 PolarHBondContact O-N 2.92Å |
| 178 | E | 94.8 | Very high | 95.3 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.3 | -46.7 | 177.9 | -167.8 | -170 | 148.6 | 0 | 0 | 112 | K174 I175 V176 Q180 R181 K182 | K174-E178 WeakPolarHBondContact O-CB 3.48Å; K174-E178 PolarHBondContact O-N 3Å; I175-E178 PolarHBondContact O-N 3.34Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 3.32Å; E178-Q180 VanDerWaalsContact C-N 3.32Å; E178-Q180 PolarHBondContact O-N 3.21Å; E178-R181 PolarHBondContact O-N 3.45Å; E178-K182 HydrophobicContact CG-CD 4.46Å; E178-K182 WeakPolarHBondContact O-CG 3.27Å; E178-K182 PolarHBondContact O-N 3.19Å; E178-K182 WeakPolarHBondContact OE1-CE 3.37Å; E178-K182 IonicContact OE1-NZ 2.91Å; E178-K182 PolarHBondContact OE1-NZ 2.86Å |
| 179 | Y | 94 | Very high | 95.4 | Very high | 152 Ų | 152 | 93.8 Ų | 93.8 | 60% | 0.596 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66 | -35.8 | 176.3 | -80 | -65.6 | 0 | 0 | 0 | 112.1 | I175 V176 K182 L183 | I175-Y179 HydrophobicContact CG2-CD2 3.56Å; I175-Y179 HydrophobicContact CG2-CE2 3.48Å; I175-Y179 VanDerWaalsContact CG2-CE2 3.48Å; I175-Y179 WeakPolarHBondContact O-CD2 3.42Å; I175-Y179 PolarHBondContact O-N 2.83Å; V176-Y179 PolarHBondContact O-N 3.22Å; Y179-K182 PolarHBondContact O-N 2.91Å; Y179-L183 WeakPolarHBondContact O-CB 3.14Å; Y179-L183 PolarHBondContact O-N 3.21Å |
| 180 | Q | 95.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 93.9 Ų | 93.9 | 43% | 0.43 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 174.4 | -177.4 | 62.8 | 23.2 | 0 | 0 | 110.9 | V176 E178 K182 L183 E184 | V176-Q180 VanDerWaalsContact O-CB 3.26Å; V176-Q180 WeakPolarHBondContact O-CB 3.44Å; V176-Q180 PolarHBondContact O-N 3.46Å; E178-Q180 VanDerWaalsContact C-N 3.32Å; E178-Q180 PolarHBondContact O-N 3.21Å; Q180-K182 VanDerWaalsContact C-N 3.35Å; Q180-K182 PolarHBondContact O-N 3.41Å; Q180-L183 WeakPolarHBondContact O-CB 3.19Å; Q180-L183 PolarHBondContact O-N 3.48Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.47Å; Q180-E184 PolarHBondContact NE2-OE1 3.42Å; Q180-E184 WeakPolarHBondContact O-CG 3.28Å; Q180-E184 PolarHBondContact O-N 3.27Å |
| 181 | R | 95.9 | Very high | 95.2 | Very high | 166 Ų | 166 | 92.1 Ų | 92.1 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.3 | -39.3 | 175.6 | -72.1 | 179.6 | -149.6 | 152.2 | 8.2 | 112.7 | D177 E178 L183 E184 S185 | D177-R181 WeakPolarHBondContact O-CG 3.27Å; D177-R181 PolarHBondContact O-N 2.92Å; E178-R181 PolarHBondContact O-N 3.45Å; R181-L183 VanDerWaalsContact C-N 3.34Å; R181-E184 PolarHBondContact O-N 3.45Å; R181-S185 WeakPolarHBondContact O-CB 3.19Å; R181-S185 PolarHBondContact O-N 3.22Å |
| 182 | K | 96.2 | Very high | 95.2 | Very high | 78 Ų | 78 | 92.8 Ų | 92.8 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 175.5 | -77.9 | 172.4 | 170.4 | 168.5 | 0 | 111.2 | E178 Y179 Q180 K186 E369 | E178-K182 HydrophobicContact CG-CD 4.46Å; E178-K182 WeakPolarHBondContact O-CG 3.27Å; E178-K182 PolarHBondContact O-N 3.19Å; E178-K182 WeakPolarHBondContact OE1-CE 3.37Å; E178-K182 IonicContact OE1-NZ 2.91Å; E178-K182 PolarHBondContact OE1-NZ 2.86Å; Y179-K182 PolarHBondContact O-N 2.91Å; Q180-K182 VanDerWaalsContact C-N 3.35Å; Q180-K182 PolarHBondContact O-N 3.41Å; K182-K186 WeakPolarHBondContact O-CG 3.43Å; K182-K186 PolarHBondContact O-N 3.36Å; K182-E369 IonicContact NZ-OE1 3.39Å; K182-E369 PolarHBondContact NZ-OE1 3.44Å |
| 183 | L | 92.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -50.2 | 175.5 | -176 | 66.8 | 0 | 0 | 0 | 111 | Y179 Q180 R181 S185 K186 E187 | Y179-L183 WeakPolarHBondContact O-CB 3.14Å; Y179-L183 PolarHBondContact O-N 3.21Å; Q180-L183 WeakPolarHBondContact O-CB 3.19Å; Q180-L183 PolarHBondContact O-N 3.48Å; R181-L183 VanDerWaalsContact C-N 3.34Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 2.9Å; L183-K186 PolarHBondContact O-N 2.94Å; L183-E187 WeakPolarHBondContact O-CG 3.3Å; L183-E187 PolarHBondContact O-N 2.95Å |
| 184 | E | 96 | Very high | 95.1 | Very high | 84 Ų | 84 | 99.7 Ų | 99.7 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 177.3 | -73.1 | 170.1 | -169.8 | 0 | 0 | 111.9 | Q180 R181 K186 E187 Q188 | Q180-E184 WeakPolarHBondContact CG-OE1 3.47Å; Q180-E184 PolarHBondContact NE2-OE1 3.42Å; Q180-E184 WeakPolarHBondContact O-CG 3.28Å; Q180-E184 PolarHBondContact O-N 3.27Å; R181-E184 PolarHBondContact O-N 3.45Å; E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.18Å; E184-E187 PolarHBondContact O-N 3.31Å; E184-Q188 WeakPolarHBondContact O-CG 3.36Å; E184-Q188 PolarHBondContact O-N 3.2Å |
| 185 | S | 96.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 96.1 Ų | 96.1 | 47% | 0.469 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | R181 L183 E189 | R181-S185 WeakPolarHBondContact O-CB 3.19Å; R181-S185 PolarHBondContact O-N 3.22Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 2.9Å; S185-E189 PolarHBondContact O-N 3.14Å |
| 186 | K | 95.3 | Very high | 95.1 | Very high | 54 Ų | 54 | 97 Ų | 97 | 24% | 0.235 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 176.2 | -74.9 | -62.4 | 179.1 | -171.2 | 0 | 112.3 | K182 L183 E184 Q188 E189 F190 | K182-K186 WeakPolarHBondContact O-CG 3.43Å; K182-K186 PolarHBondContact O-N 3.36Å; L183-K186 PolarHBondContact O-N 2.94Å; E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.18Å; K186-Q188 VanDerWaalsContact C-N 3.28Å; K186-Q188 PolarHBondContact O-N 3.41Å; K186-E189 WeakPolarHBondContact CD-OE2 3.44Å; K186-E189 IonicContact NZ-OE1 3.84Å; K186-E189 IonicContact NZ-OE2 3.48Å; K186-E189 PolarHBondContact NZ-OE2 3.47Å; K186-E189 PolarHBondContact O-N 3.48Å; K186-F190 HydrophobicContact CB-CD2 4.43Å; K186-F190 HydrophobicContact CB-CE2 4.46Å; K186-F190 WeakPolarHBondContact O-CB 3.39Å; K186-F190 WeakPolarHBondContact O-CD2 3.25Å; K186-F190 PolarHBondContact O-N 2.86Å |
| 187 | E | 93.6 | Very high | 94.9 | Very high | 116 Ų | 116 | 94.8 Ų | 94.8 | 54% | 0.542 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 173.8 | -73.2 | 179.1 | 173 | 0 | 0 | 111.4 | L183 E184 A191 | L183-E187 WeakPolarHBondContact O-CG 3.3Å; L183-E187 PolarHBondContact O-N 2.95Å; E184-E187 PolarHBondContact O-N 3.31Å; E187-A191 VanDerWaalsContact O-CB 3.3Å; E187-A191 WeakPolarHBondContact O-CB 3.04Å; E187-A191 PolarHBondContact O-N 2.77Å |
| 188 | Q | 95.8 | Very high | 95 | Very high | 128 Ų | 128 | 96.6 Ų | 96.6 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 173.4 | -71.4 | 175.8 | 18.4 | 0 | 0 | 112.4 | E184 K186 F190 A191 I192 | E184-Q188 WeakPolarHBondContact O-CG 3.36Å; E184-Q188 PolarHBondContact O-N 3.2Å; K186-Q188 VanDerWaalsContact C-N 3.28Å; K186-Q188 PolarHBondContact O-N 3.41Å; Q188-F190 PolarHBondContact O-N 3.38Å; Q188-A191 PolarHBondContact O-N 3.42Å; Q188-I192 VanDerWaalsContact O-CG1 3.31Å; Q188-I192 WeakPolarHBondContact O-CG1 3.42Å; Q188-I192 PolarHBondContact O-N 2.95Å |
| 189 | E | 94.6 | Very high | 95 | Very high | 51 Ų | 51 | 99.5 Ų | 99.5 | 24% | 0.238 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.3 | -170.6 | -173.1 | 172.4 | 0 | 0 | 111.4 | S185 K186 I192 F193 L373 | S185-E189 PolarHBondContact O-N 3.14Å; K186-E189 WeakPolarHBondContact CD-OE2 3.44Å; K186-E189 IonicContact NZ-OE1 3.84Å; K186-E189 IonicContact NZ-OE2 3.48Å; K186-E189 PolarHBondContact NZ-OE2 3.47Å; K186-E189 PolarHBondContact O-N 3.48Å; E189-I192 PolarHBondContact O-N 2.81Å; E189-F193 WeakPolarHBondContact O-CB 3.38Å; E189-F193 PolarHBondContact O-N 3.36Å; E189-L373 HydrophobicContact CG-CD1 4.35Å; E189-L373 VanDerWaalsContact OE1-CD1 3.29Å; E189-L373 WeakPolarHBondContact OE1-CD1 3.24Å; E189-L373 VanDerWaalsContact OE2-CD1 3.27Å; E189-L373 WeakPolarHBondContact OE2-CD1 3.49Å |
| 190 | F | 92.2 | Very high | 95.1 | Very high | 140 Ų | 140 | 98.1 Ų | 98.1 | 61% | 0.614 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.7 | -37 | 175.8 | -80.4 | -64.1 | 0 | 0 | 0 | 112.5 | K186 Q188 K194 | K186-F190 HydrophobicContact CB-CD2 4.43Å; K186-F190 HydrophobicContact CB-CE2 4.46Å; K186-F190 WeakPolarHBondContact O-CB 3.39Å; K186-F190 WeakPolarHBondContact O-CD2 3.25Å; K186-F190 PolarHBondContact O-N 2.86Å; Q188-F190 PolarHBondContact O-N 3.38Å; F190-K194 WeakPolarHBondContact O-CB 3.25Å; F190-K194 PolarHBondContact O-N 2.87Å |
| 191 | A | 95.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 99.3 Ų | 99.3 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E187 Q188 K194 A195 | E187-A191 VanDerWaalsContact O-CB 3.3Å; E187-A191 WeakPolarHBondContact O-CB 3.04Å; E187-A191 PolarHBondContact O-N 2.77Å; Q188-A191 PolarHBondContact O-N 3.42Å; A191-K194 PolarHBondContact O-N 3.22Å; A191-A195 WeakPolarHBondContact O-CB 3.46Å; A191-A195 PolarHBondContact O-N 3.31Å |
| 192 | I | 95.5 | Very high | 95.1 | Very high | 103 Ų | 103 | 92.9 Ų | 92.9 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -50 | 175.3 | -66.5 | 165.2 | 0 | 0 | 0 | 110.2 | Q188 E189 K194 A195 E196 | Q188-I192 VanDerWaalsContact O-CG1 3.31Å; Q188-I192 WeakPolarHBondContact O-CG1 3.42Å; Q188-I192 PolarHBondContact O-N 2.95Å; E189-I192 PolarHBondContact O-N 2.81Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.5Å; I192-A195 WeakPolarHBondContact O-CB 3.45Å; I192-A195 PolarHBondContact O-N 3.29Å; I192-A195 VanDerWaalsContact O-N 3.11Å; I192-E196 HydrophobicContact CG2-CG 4.48Å; I192-E196 WeakPolarHBondContact O-CG 3.41Å; I192-E196 PolarHBondContact O-N 2.88Å |
| 193 | F | 94.7 | Very high | 95.1 | Very high | 134 Ų | 134 | 91.6 Ų | 91.6 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.3 | -40.8 | 179 | 179.3 | -98.9 | 0 | 0 | 0 | 112.3 | E189 E196 A197 | E189-F193 WeakPolarHBondContact O-CB 3.38Å; E189-F193 PolarHBondContact O-N 3.36Å; F193-E196 PolarHBondContact O-N 3.48Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 2.93Å |
| 194 | K | 95.7 | Very high | 95.1 | Very high | 128 Ų | 128 | 93.1 Ų | 93.1 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -45.6 | 174.8 | -178.4 | -179.4 | 169.9 | -174.6 | 0 | 111.3 | F190 A191 I192 E196 A197 E198 | F190-K194 WeakPolarHBondContact O-CB 3.25Å; F190-K194 PolarHBondContact O-N 2.87Å; A191-K194 PolarHBondContact O-N 3.22Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.5Å; K194-E196 PolarHBondContact O-N 2.9Å; K194-A197 PolarHBondContact O-N 2.74Å; K194-E198 WeakPolarHBondContact CE-OE1 3.31Å; K194-E198 IonicContact NZ-OE1 3.82Å; K194-E198 WeakPolarHBondContact O-CG 3.38Å; K194-E198 PolarHBondContact O-N 3.02Å |
| 195 | A | 95.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 94.8 Ų | 94.8 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A191 I192 A197 E198 E199 | A191-A195 WeakPolarHBondContact O-CB 3.46Å; A191-A195 PolarHBondContact O-N 3.31Å; I192-A195 WeakPolarHBondContact O-CB 3.45Å; I192-A195 PolarHBondContact O-N 3.29Å; I192-A195 VanDerWaalsContact O-N 3.11Å; A195-A197 PolarHBondContact O-N 2.85Å; A195-E198 PolarHBondContact O-N 3.42Å; A195-E199 PolarHBondContact O-N 3.36Å |
| 196 | E | 95.2 | Very high | 95.1 | Very high | 89 Ų | 89 | 95.3 Ų | 95.3 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 175.1 | -71.1 | -179.1 | -175.2 | 0 | 0 | 112.6 | I192 F193 K194 E199 K200 | I192-E196 HydrophobicContact CG2-CG 4.48Å; I192-E196 WeakPolarHBondContact O-CG 3.41Å; I192-E196 PolarHBondContact O-N 2.88Å; F193-E196 PolarHBondContact O-N 3.48Å; K194-E196 PolarHBondContact O-N 2.9Å; E196-E199 PolarHBondContact O-N 3.47Å; E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-N 3.43Å |
| 197 | A | 93 | Very high | 95.2 | Very high | 46 Ų | 46 | 98.1 Ų | 98.1 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F193 K194 A195 K200 L201 | F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 2.93Å; K194-A197 PolarHBondContact O-N 2.74Å; A195-A197 PolarHBondContact O-N 2.85Å; A197-K200 PolarHBondContact O-N 3.2Å; A197-L201 WeakPolarHBondContact O-CB 3.3Å; A197-L201 PolarHBondContact O-N 2.9Å |
| 198 | E | 95.9 | Very high | 95.3 | Very high | 112 Ų | 112 | 97.4 Ų | 97.4 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 174.5 | -73.5 | 174.2 | 176.1 | 0 | 0 | 111.5 | K194 A195 L201 G202 | K194-E198 WeakPolarHBondContact CE-OE1 3.31Å; K194-E198 IonicContact NZ-OE1 3.82Å; K194-E198 WeakPolarHBondContact O-CG 3.38Å; K194-E198 PolarHBondContact O-N 3.02Å; A195-E198 PolarHBondContact O-N 3.42Å; E198-L201 PolarHBondContact O-N 3.43Å; E198-G202 PolarHBondContact O-N 3.34Å |
| 199 | E | 95.9 | Very high | 95.3 | Very high | 147 Ų | 147 | 96.3 Ų | 96.3 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 174.6 | -173.7 | -171.9 | 172.8 | 0 | 0 | 112 | A195 E196 L201 G202 S203 | A195-E199 PolarHBondContact O-N 3.36Å; E196-E199 PolarHBondContact O-N 3.47Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 2.9Å; E199-G202 PolarHBondContact O-N 2.96Å; E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 3.07Å |
| 200 | K | 96 | Very high | 95.3 | Very high | 123 Ų | 123 | 96.6 Ų | 96.6 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.8 | -75.7 | 172.6 | -176 | 164.9 | 0 | 111.4 | E196 A197 S203 F204 | E196-K200 WeakPolarHBondContact O-CG 3.4Å; E196-K200 PolarHBondContact O-N 3.43Å; A197-K200 PolarHBondContact O-N 3.2Å; K200-S203 WeakPolarHBondContact O-CB 3.24Å; K200-S203 PolarHBondContact O-N 3.4Å; K200-F204 HydrophobicContact CB-CE2 4.37Å; K200-F204 WeakPolarHBondContact O-CD2 3.46Å; K200-F204 PolarHBondContact O-N 3.42Å |
| 201 | L | 95.4 | Very high | 95.5 | Very high | 117 Ų | 117 | 95.1 Ų | 95.1 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -48.2 | 175.9 | -172.9 | 71.7 | 0 | 0 | 0 | 110.7 | A197 E198 E199 S203 F204 E205 | A197-L201 WeakPolarHBondContact O-CB 3.3Å; A197-L201 PolarHBondContact O-N 2.9Å; E198-L201 PolarHBondContact O-N 3.43Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 2.9Å; L201-S203 VanDerWaalsContact C-N 3.3Å; L201-S203 PolarHBondContact O-N 2.86Å; L201-F204 PolarHBondContact O-N 3.13Å; L201-E205 WeakPolarHBondContact O-CB 3.45Å; L201-E205 PolarHBondContact O-N 2.9Å |
| 202 | G | 95.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 95.8 Ų | 95.8 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E198 E199 S206 | E198-G202 PolarHBondContact O-N 3.34Å; E199-G202 PolarHBondContact O-N 2.96Å; G202-S206 WeakPolarHBondContact O-CB 3.37Å; G202-S206 PolarHBondContact O-N 3.3Å; G202-S206 PolarHBondContact O-OG 3.43Å |
| 203 | S | 95.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 97.1 Ų | 97.1 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 172.8 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | E199 K200 L201 S206 K207 | E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 3.07Å; K200-S203 WeakPolarHBondContact O-CB 3.24Å; K200-S203 PolarHBondContact O-N 3.4Å; L201-S203 VanDerWaalsContact C-N 3.3Å; L201-S203 PolarHBondContact O-N 2.86Å; S203-S206 PolarHBondContact O-N 3.42Å; S203-K207 VanDerWaalsContact O-CG 3.3Å; S203-K207 WeakPolarHBondContact O-CG 3.45Å; S203-K207 PolarHBondContact O-N 3.02Å |
| 204 | F | 94.2 | Very high | 95.6 | Very high | 123 Ų | 123 | 93.4 Ų | 93.4 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 177.6 | -73.5 | -56.2 | 0 | 0 | 0 | 112.4 | K200 L201 K207 N208 | K200-F204 HydrophobicContact CB-CE2 4.37Å; K200-F204 WeakPolarHBondContact O-CD2 3.46Å; K200-F204 PolarHBondContact O-N 3.42Å; L201-F204 PolarHBondContact O-N 3.13Å; F204-K207 PolarHBondContact O-N 3.36Å; F204-N208 WeakPolarHBondContact O-CB 3.42Å; F204-N208 PolarHBondContact O-N 3.17Å; F204-N208 PolarHBondContact O-ND2 2.81Å |
| 205 | E | 96.7 | Very high | 95.6 | Very high | 119 Ų | 119 | 92.1 Ų | 92.1 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 174.5 | -172.1 | 172.4 | -173.8 | 0 | 0 | 110.8 | L201 K207 N208 I209 | L201-E205 WeakPolarHBondContact O-CB 3.45Å; L201-E205 PolarHBondContact O-N 2.9Å; E205-K207 VanDerWaalsContact C-N 3.33Å; E205-K207 PolarHBondContact O-N 2.85Å; E205-N208 PolarHBondContact O-N 3.42Å; E205-I209 HydrophobicContact CG-CD1 4.12Å; E205-I209 VanDerWaalsContact O-CG1 3.32Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 3.47Å |
| 206 | S | 96 | Very high | 95.7 | Very high | 78 Ų | 78 | 96 Ų | 96 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | G202 S203 I209 A210 | G202-S206 WeakPolarHBondContact O-CB 3.37Å; G202-S206 PolarHBondContact O-N 3.3Å; G202-S206 PolarHBondContact O-OG 3.43Å; S203-S206 PolarHBondContact O-N 3.42Å; S206-I209 PolarHBondContact O-N 3.32Å; S206-A210 WeakPolarHBondContact O-CB 3.45Å; S206-A210 PolarHBondContact O-N 2.9Å |
| 207 | K | 96.8 | Very high | 95.7 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.1 | -73.4 | 169.3 | -176.3 | 167.9 | 0 | 112 | S203 F204 E205 A210 I211 | S203-K207 VanDerWaalsContact O-CG 3.3Å; S203-K207 WeakPolarHBondContact O-CG 3.45Å; S203-K207 PolarHBondContact O-N 3.02Å; F204-K207 PolarHBondContact O-N 3.36Å; E205-K207 VanDerWaalsContact C-N 3.33Å; E205-K207 PolarHBondContact O-N 2.85Å; K207-A210 PolarHBondContact O-N 3.37Å; K207-I211 WeakPolarHBondContact O-CB 3.36Å; K207-I211 VanDerWaalsContact O-CG1 3.3Å; K207-I211 WeakPolarHBondContact O-CG1 3.41Å; K207-I211 PolarHBondContact O-N 2.95Å |
| 208 | N | 94.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 96.9 Ų | 96.9 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 176.8 | -88.1 | -35.9 | 0 | 0 | 0 | 111.8 | F204 E205 I211 S212 | F204-N208 WeakPolarHBondContact O-CB 3.42Å; F204-N208 PolarHBondContact O-N 3.17Å; F204-N208 PolarHBondContact O-ND2 2.81Å; E205-N208 PolarHBondContact O-N 3.42Å; N208-I211 PolarHBondContact O-N 3.5Å; N208-S212 VanDerWaalsContact O-CB 3.29Å; N208-S212 WeakPolarHBondContact O-CB 3.31Å; N208-S212 PolarHBondContact O-N 2.85Å; N208-S212 PolarHBondContact O-OG 3.34Å |
| 209 | I | 96.6 | Very high | 95.8 | Very high | 105 Ų | 105 | 97.2 Ų | 97.2 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 173.1 | -68 | 166.3 | 0 | 0 | 0 | 110.1 | E205 S206 S212 K213 | E205-I209 HydrophobicContact CG-CD1 4.12Å; E205-I209 VanDerWaalsContact O-CG1 3.32Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 3.47Å; S206-I209 PolarHBondContact O-N 3.32Å; I209-S212 PolarHBondContact O-N 3.44Å; I209-K213 WeakPolarHBondContact O-CB 3.48Å; I209-K213 PolarHBondContact O-N 2.9Å |
| 210 | A | 95.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S206 K207 K213 A214 | S206-A210 WeakPolarHBondContact O-CB 3.45Å; S206-A210 PolarHBondContact O-N 2.9Å; K207-A210 PolarHBondContact O-N 3.37Å; A210-K213 PolarHBondContact O-N 3.38Å; A210-A214 WeakPolarHBondContact O-CB 3.35Å; A210-A214 PolarHBondContact O-N 2.89Å |
| 211 | I | 96 | Very high | 95.8 | Very high | 109 Ų | 109 | 93 Ų | 93 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 176 | -70.5 | 167.3 | 0 | 0 | 0 | 110.6 | K207 N208 K213 A214 L215 | K207-I211 WeakPolarHBondContact O-CB 3.36Å; K207-I211 VanDerWaalsContact O-CG1 3.3Å; K207-I211 WeakPolarHBondContact O-CG1 3.41Å; K207-I211 PolarHBondContact O-N 2.95Å; N208-I211 PolarHBondContact O-N 3.5Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 2.92Å; I211-A214 PolarHBondContact O-N 3.26Å; I211-L215 WeakPolarHBondContact O-CB 3.29Å; I211-L215 PolarHBondContact O-N 3.35Å |
| 212 | S | 95.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 93.1 Ų | 93.1 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | N208 I209 L215 E216 | N208-S212 VanDerWaalsContact O-CB 3.29Å; N208-S212 WeakPolarHBondContact O-CB 3.31Å; N208-S212 PolarHBondContact O-N 2.85Å; N208-S212 PolarHBondContact O-OG 3.34Å; I209-S212 PolarHBondContact O-N 3.44Å; S212-L215 PolarHBondContact O-N 3.01Å; S212-E216 PolarHBondContact O-N 3.2Å |
| 213 | K | 96.2 | Very high | 95.7 | Very high | 131 Ų | 131 | 98.6 Ų | 98.6 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 175 | -174.8 | 177.7 | -179.8 | 179.2 | 0 | 112.2 | I209 A210 I211 L215 E216 M217 | I209-K213 WeakPolarHBondContact O-CB 3.48Å; I209-K213 PolarHBondContact O-N 2.9Å; A210-K213 PolarHBondContact O-N 3.38Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 2.92Å; K213-L215 VanDerWaalsContact C-N 3.31Å; K213-L215 PolarHBondContact O-N 3.06Å; K213-E216 PolarHBondContact O-N 3.25Å; K213-M217 HydrophobicContact CG-SD 4.46Å; K213-M217 VanDerWaalsContact O-CG 3.32Å; K213-M217 WeakPolarHBondContact O-CG 3.4Å; K213-M217 PolarHBondContact O-N 3.18Å |
| 214 | A | 96.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A210 I211 M217 A218 | A210-A214 WeakPolarHBondContact O-CB 3.35Å; A210-A214 PolarHBondContact O-N 2.89Å; I211-A214 PolarHBondContact O-N 3.26Å; A214-M217 PolarHBondContact O-N 3.43Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 3.23Å |
| 215 | L | 95.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 174.6 | -177.5 | 67.1 | 0 | 0 | 0 | 111.5 | I211 S212 K213 M217 A218 Q219 | I211-L215 WeakPolarHBondContact O-CB 3.29Å; I211-L215 PolarHBondContact O-N 3.35Å; S212-L215 PolarHBondContact O-N 3.01Å; K213-L215 VanDerWaalsContact C-N 3.31Å; K213-L215 PolarHBondContact O-N 3.06Å; L215-M217 VanDerWaalsContact C-N 3.34Å; L215-M217 PolarHBondContact O-N 3.37Å; L215-A218 PolarHBondContact O-N 3.44Å; L215-Q219 WeakPolarHBondContact O-CB 3.29Å; L215-Q219 VanDerWaalsContact O-CG 3.26Å; L215-Q219 WeakPolarHBondContact O-CG 3.45Å; L215-Q219 PolarHBondContact O-N 3.06Å |
| 216 | E | 96.5 | Very high | 95.6 | Very high | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 175.5 | -173.6 | -177.4 | -179 | 0 | 0 | 111.4 | S212 K213 Q219 S220 | S212-E216 PolarHBondContact O-N 3.2Å; K213-E216 PolarHBondContact O-N 3.25Å; E216-Q219 PolarHBondContact O-N 3.32Å; E216-S220 WeakPolarHBondContact O-CB 3.48Å; E216-S220 PolarHBondContact O-N 2.9Å |
| 217 | M | 96.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 50% | 0.502 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.6 | -73.1 | 177.9 | 61.2 | 0 | 0 | 111.7 | K213 A214 L215 Q219 S220 E221 | K213-M217 HydrophobicContact CG-SD 4.46Å; K213-M217 VanDerWaalsContact O-CG 3.32Å; K213-M217 WeakPolarHBondContact O-CG 3.4Å; K213-M217 PolarHBondContact O-N 3.18Å; A214-M217 PolarHBondContact O-N 3.43Å; L215-M217 VanDerWaalsContact C-N 3.34Å; L215-M217 PolarHBondContact O-N 3.37Å; M217-Q219 VanDerWaalsContact C-N 3.32Å; M217-Q219 PolarHBondContact O-N 3.49Å; M217-S220 PolarHBondContact O-N 2.84Å; M217-S220 VanDerWaalsContact O-N 3.15Å; M217-S220 PolarHBondContact O-OG 3.29Å; M217-E221 PolarHBondContact O-N 3.41Å |
| 218 | A | 95.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 102.3 Ų | 102.3 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A214 L215 E221 L222 | A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 3.23Å; L215-A218 PolarHBondContact O-N 3.44Å; A218-E221 PolarHBondContact O-N 2.85Å; A218-L222 WeakPolarHBondContact O-CB 3.05Å; A218-L222 PolarHBondContact O-N 3.25Å |
| 219 | Q | 96.3 | Very high | 95.5 | Very high | 118 Ų | 118 | 101.2 Ų | 101.2 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 174.1 | -74.7 | 174.8 | -6.2 | 0 | 0 | 111.7 | L215 E216 M217 L222 F223 | L215-Q219 WeakPolarHBondContact O-CB 3.29Å; L215-Q219 VanDerWaalsContact O-CG 3.26Å; L215-Q219 WeakPolarHBondContact O-CG 3.45Å; L215-Q219 PolarHBondContact O-N 3.06Å; E216-Q219 PolarHBondContact O-N 3.32Å; M217-Q219 VanDerWaalsContact C-N 3.32Å; M217-Q219 PolarHBondContact O-N 3.49Å; Q219-L222 PolarHBondContact O-N 3.25Å; Q219-F223 WeakPolarHBondContact O-CB 2.92Å; Q219-F223 PolarHBondContact O-N 3.25Å |
| 220 | S | 94.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 99.9 Ų | 99.9 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.7 | 79.3 | 0 | 0 | 0 | 0 | 112.3 | E216 M217 F223 R224 | E216-S220 WeakPolarHBondContact O-CB 3.48Å; E216-S220 PolarHBondContact O-N 2.9Å; M217-S220 PolarHBondContact O-N 2.84Å; M217-S220 VanDerWaalsContact O-N 3.15Å; M217-S220 PolarHBondContact O-OG 3.29Å; S220-F223 PolarHBondContact O-N 2.94Å; S220-R224 PolarHBondContact O-N 2.95Å |
| 221 | E | 95.5 | Very high | 95.2 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 175.8 | -73.9 | -174.9 | 173.1 | 0 | 0 | 111.4 | M217 A218 F223 R224 L225 | M217-E221 PolarHBondContact O-N 3.41Å; A218-E221 PolarHBondContact O-N 2.85Å; E221-F223 VanDerWaalsContact C-N 3.31Å; E221-F223 PolarHBondContact O-N 2.93Å; E221-R224 PolarHBondContact O-N 2.87Å; E221-L225 WeakPolarHBondContact O-CB 3.44Å; E221-L225 PolarHBondContact O-N 3.4Å |
| 222 | L | 94.9 | Very high | 95.1 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 175.6 | -166.8 | 158.7 | 0 | 0 | 0 | 110.9 | A218 Q219 L225 K226 | A218-L222 WeakPolarHBondContact O-CB 3.05Å; A218-L222 PolarHBondContact O-N 3.25Å; Q219-L222 PolarHBondContact O-N 3.25Å; L222-L225 PolarHBondContact O-N 3.24Å; L222-K226 WeakPolarHBondContact O-CB 3.39Å; L222-K226 PolarHBondContact O-N 2.95Å |
| 223 | F | 94.7 | Very high | 95 | Very high | 145 Ų | 145 | 100.2 Ų | 100.2 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 174.9 | -177.8 | -95.6 | 0 | 0 | 0 | 111.9 | Q219 S220 E221 K226 T227 | Q219-F223 WeakPolarHBondContact O-CB 2.92Å; Q219-F223 PolarHBondContact O-N 3.25Å; S220-F223 PolarHBondContact O-N 2.94Å; E221-F223 VanDerWaalsContact C-N 3.31Å; E221-F223 PolarHBondContact O-N 2.93Å; F223-K226 PolarHBondContact O-N 3.2Å; F223-T227 WeakPolarHBondContact O-CB 3.33Å; F223-T227 PolarHBondContact O-N 2.87Å; F223-T227 PolarHBondContact O-OG1 3.46Å |
| 224 | R | 96 | Very high | 94.8 | Very high | 158 Ų | 158 | 98.6 Ų | 98.6 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -48.7 | 176.4 | -167 | -171.5 | 72.9 | -175.2 | -1.6 | 111.3 | S220 E221 K226 T227 E228 | S220-R224 PolarHBondContact O-N 2.95Å; E221-R224 PolarHBondContact O-N 2.87Å; R224-K226 VanDerWaalsContact C-N 3.32Å; R224-K226 PolarHBondContact O-N 3.24Å; R224-T227 WeakPolarHBondContact O-CB 3.49Å; R224-T227 PolarHBondContact O-N 2.84Å; R224-T227 VanDerWaalsContact O-N 3.17Å; R224-E228 WeakPolarHBondContact O-CB 3.42Å; R224-E228 PolarHBondContact O-N 3.43Å |
| 225 | L | 93.6 | Very high | 94.5 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178.6 | -135 | 83.4 | 0 | 0 | 0 | 111.2 | E221 L222 E228 V229 | E221-L225 WeakPolarHBondContact O-CB 3.44Å; E221-L225 PolarHBondContact O-N 3.4Å; L222-L225 PolarHBondContact O-N 3.24Å; L225-E228 PolarHBondContact O-N 2.98Å; L225-V229 WeakPolarHBondContact O-CB 3.48Å; L225-V229 VanDerWaalsContact O-CG2 3.26Å; L225-V229 WeakPolarHBondContact O-CG2 3.39Å; L225-V229 PolarHBondContact O-N 2.91Å |
| 226 | K | 95.6 | Very high | 94.3 | Very high | 128 Ų | 128 | 100.8 Ų | 100.8 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 175.9 | -175.4 | 170.1 | -175.3 | 173.7 | 0 | 111.7 | L222 F223 R224 E228 N230 | L222-K226 WeakPolarHBondContact O-CB 3.39Å; L222-K226 PolarHBondContact O-N 2.95Å; F223-K226 PolarHBondContact O-N 3.2Å; R224-K226 VanDerWaalsContact C-N 3.32Å; R224-K226 PolarHBondContact O-N 3.24Å; K226-E228 VanDerWaalsContact C-N 3.34Å; K226-N230 WeakPolarHBondContact O-CB 3.41Å; K226-N230 PolarHBondContact O-N 3.42Å; K226-N230 PolarHBondContact O-ND2 3.31Å; K226-N230 PolarHBondContact O-OD1 3.1Å |
| 227 | T | 94.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 98 Ų | 98 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 176 | -53.8 | 0 | 0 | 0 | 0 | 111 | F223 R224 A231 | F223-T227 WeakPolarHBondContact O-CB 3.33Å; F223-T227 PolarHBondContact O-N 2.87Å; F223-T227 PolarHBondContact O-OG1 3.46Å; R224-T227 WeakPolarHBondContact O-CB 3.49Å; R224-T227 PolarHBondContact O-N 2.84Å; R224-T227 VanDerWaalsContact O-N 3.17Å; T227-A231 WeakPolarHBondContact O-CB 3.48Å; T227-A231 PolarHBondContact O-N 2.92Å |
| 228 | E | 96 | Very high | 93.8 | Very high | 107 Ų | 107 | 95.9 Ų | 95.9 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 176.2 | -173.1 | 176.8 | 179.7 | 0 | 0 | 111.8 | R224 L225 K226 N230 A231 T232 | R224-E228 WeakPolarHBondContact O-CB 3.42Å; R224-E228 PolarHBondContact O-N 3.43Å; L225-E228 PolarHBondContact O-N 2.98Å; K226-E228 VanDerWaalsContact C-N 3.34Å; E228-N230 PolarHBondContact O-N 3Å; E228-A231 WeakPolarHBondContact O-CB 3.34Å; E228-A231 PolarHBondContact O-N 3.41Å; E228-A231 VanDerWaalsContact O-N 3.13Å; E228-T232 WeakPolarHBondContact O-CG2 3.33Å; E228-T232 PolarHBondContact O-N 3.36Å; E228-T232 PolarHBondContact O-OG1 3.03Å |
| 229 | V | 94.3 | Very high | 93.7 | Very high | 76 Ų | 76 | 99.1 Ų | 99.1 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 174.9 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | L225 A231 T232 E233 | L225-V229 WeakPolarHBondContact O-CB 3.48Å; L225-V229 VanDerWaalsContact O-CG2 3.26Å; L225-V229 WeakPolarHBondContact O-CG2 3.39Å; L225-V229 PolarHBondContact O-N 2.91Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 2.99Å; V229-T232 PolarHBondContact O-N 3.41Å; V229-T232 PolarHBondContact O-OG1 2.92Å; V229-E233 WeakPolarHBondContact O-CB 3.36Å; V229-E233 PolarHBondContact O-N 3.21Å |
| 230 | N | 92.8 | Very high | 93.5 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 176.2 | -71.7 | -9.7 | 0 | 0 | 0 | 111.7 | K226 E228 E233 T234 | K226-N230 WeakPolarHBondContact O-CB 3.41Å; K226-N230 PolarHBondContact O-N 3.42Å; K226-N230 PolarHBondContact O-ND2 3.31Å; K226-N230 PolarHBondContact O-OD1 3.1Å; E228-N230 PolarHBondContact O-N 3Å; N230-E233 PolarHBondContact O-N 2.84Å; N230-T234 WeakPolarHBondContact O-CG2 3.45Å; N230-T234 PolarHBondContact O-N 3.11Å; N230-T234 PolarHBondContact O-OG1 3.33Å |
| 231 | A | 93 | Very high | 93.4 | Very high | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T227 E228 V229 E233 T234 G235 | T227-A231 WeakPolarHBondContact O-CB 3.48Å; T227-A231 PolarHBondContact O-N 2.92Å; E228-A231 WeakPolarHBondContact O-CB 3.34Å; E228-A231 PolarHBondContact O-N 3.41Å; E228-A231 VanDerWaalsContact O-N 3.13Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 2.99Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.45Å; A231-T234 WeakPolarHBondContact CA-OG1 3.32Å; A231-T234 PolarHBondContact O-N 2.89Å; A231-T234 PolarHBondContact O-OG1 2.87Å; A231-G235 PolarHBondContact O-N 2.91Å |
| 232 | T | 93.7 | Very high | 93.2 | Very high | 66 Ų | 66 | 101.8 Ų | 101.8 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | E228 V229 G235 R236 | E228-T232 WeakPolarHBondContact O-CG2 3.33Å; E228-T232 PolarHBondContact O-N 3.36Å; E228-T232 PolarHBondContact O-OG1 3.03Å; V229-T232 PolarHBondContact O-N 3.41Å; V229-T232 PolarHBondContact O-OG1 2.92Å; T232-G235 PolarHBondContact O-N 3.48Å; T232-R236 VanDerWaalsContact O-CB 3.31Å; T232-R236 WeakPolarHBondContact O-CB 3.44Å; T232-R236 VanDerWaalsContact O-CG 3.26Å; T232-R236 WeakPolarHBondContact O-CG 3.34Å; T232-R236 PolarHBondContact O-N 2.99Å |
| 233 | E | 93.5 | Very high | 93 | Very high | 124 Ų | 124 | 101.7 Ų | 101.7 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -44.4 | 176.1 | -170.9 | 175 | -173.5 | 0 | 0 | 110.4 | V229 N230 A231 G235 R236 S237 | V229-E233 WeakPolarHBondContact O-CB 3.36Å; V229-E233 PolarHBondContact O-N 3.21Å; N230-E233 PolarHBondContact O-N 2.84Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.45Å; E233-G235 PolarHBondContact O-N 3.29Å; E233-R236 PolarHBondContact O-N 2.85Å; E233-S237 WeakPolarHBondContact O-CB 3.4Å; E233-S237 PolarHBondContact O-N 2.93Å |
| 234 | T | 92.1 | Very high | 92.8 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 60% | 0.595 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | N230 A231 S237 S238 | N230-T234 WeakPolarHBondContact O-CG2 3.45Å; N230-T234 PolarHBondContact O-N 3.11Å; N230-T234 PolarHBondContact O-OG1 3.33Å; A231-T234 WeakPolarHBondContact CA-OG1 3.32Å; A231-T234 PolarHBondContact O-N 2.89Å; A231-T234 PolarHBondContact O-OG1 2.87Å; T234-S237 PolarHBondContact O-N 3.27Å; T234-S238 PolarHBondContact O-N 2.97Å |
| 235 | G | 90.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 96.4 Ų | 96.4 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A231 T232 E233 S237 S238 E239 | A231-G235 PolarHBondContact O-N 2.91Å; T232-G235 PolarHBondContact O-N 3.48Å; E233-G235 PolarHBondContact O-N 3.29Å; G235-S237 VanDerWaalsContact C-N 3.33Å; G235-S237 PolarHBondContact O-N 3.47Å; G235-S238 PolarHBondContact O-N 2.87Å; G235-S238 PolarHBondContact O-OG 3.46Å; G235-E239 WeakPolarHBondContact O-CG 3.23Å; G235-E239 PolarHBondContact O-N 3.27Å |
| 236 | R | 91.3 | Very high | 92.4 | Very high | 178 Ų | 178 | 96.3 Ų | 96.3 | 67% | 0.672 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 174.1 | -76.5 | 177.2 | 176.3 | 175.5 | 1.3 | 112.4 | T232 E233 S238 E239 L240 | T232-R236 VanDerWaalsContact O-CB 3.31Å; T232-R236 WeakPolarHBondContact O-CB 3.44Å; T232-R236 VanDerWaalsContact O-CG 3.26Å; T232-R236 WeakPolarHBondContact O-CG 3.34Å; T232-R236 PolarHBondContact O-N 2.99Å; E233-R236 PolarHBondContact O-N 2.85Å; R236-S238 VanDerWaalsContact C-N 3.32Å; R236-S238 PolarHBondContact O-N 3.41Å; R236-E239 PolarHBondContact O-N 2.9Å; R236-L240 VanDerWaalsContact O-CB 3.3Å; R236-L240 WeakPolarHBondContact O-CB 3.5Å; R236-L240 PolarHBondContact O-N 3.24Å |
| 237 | S | 91.9 | Very high | 92 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.1 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | E233 T234 G235 L240 E241 | E233-S237 WeakPolarHBondContact O-CB 3.4Å; E233-S237 PolarHBondContact O-N 2.93Å; T234-S237 PolarHBondContact O-N 3.27Å; G235-S237 VanDerWaalsContact C-N 3.33Å; G235-S237 PolarHBondContact O-N 3.47Å; S237-L240 PolarHBondContact O-N 3.08Å; S237-E241 PolarHBondContact O-N 3.31Å |
| 238 | S | 90.7 | Very high | 91.8 | Very high | 58 Ų | 58 | 98.9 Ų | 98.9 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 175.2 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | T234 G235 R236 L240 E241 L242 | T234-S238 PolarHBondContact O-N 2.97Å; G235-S238 PolarHBondContact O-N 2.87Å; G235-S238 PolarHBondContact O-OG 3.46Å; R236-S238 VanDerWaalsContact C-N 3.32Å; R236-S238 PolarHBondContact O-N 3.41Å; S238-L240 VanDerWaalsContact C-N 3.35Å; S238-E241 PolarHBondContact O-N 2.87Å; S238-L242 WeakPolarHBondContact O-CG 3.47Å; S238-L242 PolarHBondContact O-N 3.04Å |
| 239 | E | 92.3 | Very high | 91.3 | Very high | 122 Ų | 122 | 99.3 Ų | 99.3 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -40 | 175 | -76.9 | 176 | -178.2 | 0 | 0 | 111.2 | G235 R236 E241 L242 L243 | G235-E239 WeakPolarHBondContact O-CG 3.23Å; G235-E239 PolarHBondContact O-N 3.27Å; R236-E239 PolarHBondContact O-N 2.9Å; E239-E241 VanDerWaalsContact C-N 3.34Å; E239-L242 PolarHBondContact O-N 3.35Å; E239-L243 WeakPolarHBondContact O-CB 3.45Å; E239-L243 PolarHBondContact O-N 3.43Å |
| 240 | L | 91.4 | Very high | 91.1 | Very high | 119 Ų | 119 | 98.7 Ų | 98.7 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 175.7 | -175.4 | 67.2 | 0 | 0 | 0 | 111.4 | R236 S237 S238 L243 M244 | R236-L240 VanDerWaalsContact O-CB 3.3Å; R236-L240 WeakPolarHBondContact O-CB 3.5Å; R236-L240 PolarHBondContact O-N 3.24Å; S237-L240 PolarHBondContact O-N 3.08Å; S238-L240 VanDerWaalsContact C-N 3.35Å; L240-L243 PolarHBondContact O-N 2.9Å; L240-M244 WeakPolarHBondContact O-CB 3.31Å; L240-M244 PolarHBondContact O-N 2.84Å |
| 241 | E | 92.5 | Very high | 90.6 | Very high | 124 Ų | 124 | 99.7 Ų | 99.7 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 175.3 | -165.7 | 171.8 | -169.8 | 0 | 0 | 111.3 | S237 S238 E239 M244 D245 | S237-E241 PolarHBondContact O-N 3.31Å; S238-E241 PolarHBondContact O-N 2.87Å; E239-E241 VanDerWaalsContact C-N 3.34Å; E241-M244 PolarHBondContact O-N 3.11Å; E241-D245 PolarHBondContact O-N 2.93Å |
| 242 | L | 91.1 | Very high | 90.2 | Very high | 113 Ų | 113 | 100.1 Ų | 100.1 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 175.1 | -72.7 | 170.5 | 0 | 0 | 0 | 113.3 | S238 E239 M244 D245 D246 | S238-L242 WeakPolarHBondContact O-CG 3.47Å; S238-L242 PolarHBondContact O-N 3.04Å; E239-L242 PolarHBondContact O-N 3.35Å; L242-M244 VanDerWaalsContact C-N 3.33Å; L242-D245 WeakPolarHBondContact O-CB 3.27Å; L242-D245 PolarHBondContact O-N 3.02Å; L242-D246 PolarHBondContact O-N 2.62Å |
| 243 | L | 90.9 | Very high | 89.8 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 176.7 | -85.4 | 163.3 | 0 | 0 | 0 | 112.1 | E239 L240 D246 L247 | E239-L243 WeakPolarHBondContact O-CB 3.45Å; E239-L243 PolarHBondContact O-N 3.43Å; L240-L243 PolarHBondContact O-N 2.9Å; L243-D246 PolarHBondContact O-N 3.05Å; L243-L247 WeakPolarHBondContact O-CB 3.27Å; L243-L247 PolarHBondContact O-N 3.31Å |
| 244 | M | 90.3 | Very high | 89.1 | Confident | 120 Ų | 120 | 102.9 Ų | 102.9 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 176 | -170.2 | 171.6 | 62.8 | 0 | 0 | 110.8 | L240 E241 L242 D246 L247 E248 | L240-M244 WeakPolarHBondContact O-CB 3.31Å; L240-M244 PolarHBondContact O-N 2.84Å; E241-M244 PolarHBondContact O-N 3.11Å; L242-M244 VanDerWaalsContact C-N 3.33Å; M244-D246 PolarHBondContact O-N 3.38Å; M244-L247 PolarHBondContact O-N 2.89Å; M244-E248 WeakPolarHBondContact O-CB 3.35Å; M244-E248 PolarHBondContact O-N 3.49Å |
| 245 | D | 91.4 | Very high | 88.6 | Confident | 72 Ų | 72 | 101.1 Ų | 101.1 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 173.9 | -96.1 | 20.6 | 0 | 0 | 0 | 112.7 | E241 L242 E248 K249 | E241-D245 PolarHBondContact O-N 2.93Å; L242-D245 WeakPolarHBondContact O-CB 3.27Å; L242-D245 PolarHBondContact O-N 3.02Å; D245-E248 PolarHBondContact O-N 2.93Å; D245-K249 WeakPolarHBondContact O-CG 3.4Å; D245-K249 PolarHBondContact O-N 3.38Å |
| 246 | D | 91.6 | Very high | 88.1 | Confident | 96 Ų | 96 | 103.6 Ų | 103.6 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.3 | -35.8 | 179.9 | -81.7 | -7.6 | 0 | 0 | 0 | 112.6 | L242 L243 M244 E248 K249 S250 | L242-D246 PolarHBondContact O-N 2.62Å; L243-D246 PolarHBondContact O-N 3.05Å; M244-D246 PolarHBondContact O-N 3.38Å; D246-E248 VanDerWaalsContact C-N 3.35Å; D246-K249 PolarHBondContact O-N 2.88Å; D246-K249 IonicContact OD1-NZ 3.83Å; D246-K249 PolarHBondContact OD1-NZ 2.78Å; D246-S250 VanDerWaalsContact O-CB 3.28Å; D246-S250 WeakPolarHBondContact O-CB 3.34Å; D246-S250 PolarHBondContact O-N 3.44Å |
| 247 | L | 86.7 | Confident | 87.3 | Confident | 114 Ų | 114 | 97.4 Ų | 97.4 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 173.7 | -167.5 | 121.8 | 0 | 0 | 0 | 111.3 | L243 M244 S250 N251 | L243-L247 WeakPolarHBondContact O-CB 3.27Å; L243-L247 PolarHBondContact O-N 3.31Å; M244-L247 PolarHBondContact O-N 2.89Å; L247-S250 PolarHBondContact O-N 3.46Å; L247-N251 WeakPolarHBondContact O-CB 3.39Å; L247-N251 PolarHBondContact O-N 3.2Å |
| 248 | E | 88.8 | Confident | 86.6 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 177.1 | -153 | 169.9 | -145.4 | 0 | 0 | 111.4 | M244 D245 D246 S250 N251 A252 | M244-E248 WeakPolarHBondContact O-CB 3.35Å; M244-E248 PolarHBondContact O-N 3.49Å; D245-E248 PolarHBondContact O-N 2.93Å; D246-E248 VanDerWaalsContact C-N 3.35Å; E248-S250 PolarHBondContact O-N 3.37Å; E248-N251 PolarHBondContact O-N 3.23Å; E248-A252 PolarHBondContact O-N 2.89Å; E248-A252 VanDerWaalsContact O-N 3.09Å |
| 249 | K | 86.7 | Confident | 85.7 | Confident | 116 Ų | 116 | 100.1 Ų | 100.1 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 172.8 | -71 | 168.9 | -161 | 151.2 | 0 | 112.9 | D245 D246 K253 | D245-K249 WeakPolarHBondContact O-CG 3.4Å; D245-K249 PolarHBondContact O-N 3.38Å; D246-K249 PolarHBondContact O-N 2.88Å; D246-K249 IonicContact OD1-NZ 3.83Å; D246-K249 PolarHBondContact OD1-NZ 2.78Å; K249-K253 PolarHBondContact O-N 2.91Å |
| 250 | S | 88.8 | Confident | 84.9 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 44% | 0.441 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 177.4 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | D246 L247 E248 A252 K253 L254 | D246-S250 VanDerWaalsContact O-CB 3.28Å; D246-S250 WeakPolarHBondContact O-CB 3.34Å; D246-S250 PolarHBondContact O-N 3.44Å; L247-S250 PolarHBondContact O-N 3.46Å; E248-S250 PolarHBondContact O-N 3.37Å; S250-A252 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 3.21Å; S250-K253 WeakPolarHBondContact O-CB 3.4Å; S250-K253 PolarHBondContact O-N 3.01Å; S250-K253 VanDerWaalsContact O-N 3.08Å; S250-L254 PolarHBondContact O-N 3.31Å |
| 251 | N | 83.1 | Confident | 83.5 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.7 | -100.7 | -14.5 | 0 | 0 | 0 | 112.3 | L247 E248 K253 L254 A255 | L247-N251 WeakPolarHBondContact O-CB 3.39Å; L247-N251 PolarHBondContact O-N 3.2Å; E248-N251 PolarHBondContact O-N 3.23Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 2.9Å; N251-L254 PolarHBondContact O-N 2.9Å; N251-A255 WeakPolarHBondContact O-CB 3.33Å; N251-A255 PolarHBondContact O-N 3.26Å |
| 252 | A | 85 | Confident | 82.1 | Confident | 66 Ų | 66 | 97 Ų | 97 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E248 S250 S256 | E248-A252 PolarHBondContact O-N 2.89Å; E248-A252 VanDerWaalsContact O-N 3.09Å; S250-A252 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 3.21Å; A252-S256 PolarHBondContact O-N 2.81Å |
| 253 | K | 85.1 | Confident | 80.8 | Confident | 157 Ų | 157 | 99.1 Ų | 99.1 | 68% | 0.683 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.4 | -42.8 | 175.6 | -70 | 177.1 | -178.1 | 177.1 | 0 | 112.3 | K249 S250 N251 A255 S256 A257 | K249-K253 PolarHBondContact O-N 2.91Å; S250-K253 WeakPolarHBondContact O-CB 3.4Å; S250-K253 PolarHBondContact O-N 3.01Å; S250-K253 VanDerWaalsContact O-N 3.08Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 2.9Å; K253-A255 VanDerWaalsContact C-N 3.35Å; K253-S256 WeakPolarHBondContact O-CB 3.46Å; K253-S256 PolarHBondContact O-N 3.32Å; K253-S256 VanDerWaalsContact O-N 3.14Å; K253-A257 PolarHBondContact O-N 2.86Å |
| 254 | L | 78.9 | Confident | 79.1 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | -178.4 | -154 | 137.2 | 0 | 0 | 0 | 110.8 | S250 N251 S256 A257 E258 | S250-L254 PolarHBondContact O-N 3.31Å; N251-L254 PolarHBondContact O-N 2.9Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.46Å; L254-A257 PolarHBondContact O-N 3.16Å; L254-A257 VanDerWaalsContact O-N 3.16Å; L254-E258 HydrophobicContact CD2-CG 4.16Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.3Å; L254-E258 WeakPolarHBondContact O-CG 3.49Å; L254-E258 PolarHBondContact O-N 2.95Å |
| 255 | A | 80.6 | Confident | 77.4 | Confident | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.1 | -37.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | N251 K253 A259 | N251-A255 WeakPolarHBondContact O-CB 3.33Å; N251-A255 PolarHBondContact O-N 3.26Å; K253-A255 VanDerWaalsContact C-N 3.35Å; A255-A259 PolarHBondContact O-N 3.48Å |
| 256 | S | 81.2 | Confident | 75.8 | Confident | 78 Ų | 78 | 107.7 Ų | 107.7 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67 | -41.4 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | A252 K253 L254 A259 E260 | A252-S256 PolarHBondContact O-N 2.81Å; K253-S256 WeakPolarHBondContact O-CB 3.46Å; K253-S256 PolarHBondContact O-N 3.32Å; K253-S256 VanDerWaalsContact O-N 3.14Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.46Å; S256-A259 PolarHBondContact O-N 2.96Å; S256-E260 PolarHBondContact O-N 3.36Å |
| 257 | A | 74.4 | Confident | 73.7 | Confident | 48 Ų | 48 | 109 Ų | 109 | 40% | 0.397 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.2 | -37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K253 L254 A259 E260 L261 | K253-A257 PolarHBondContact O-N 2.86Å; L254-A257 PolarHBondContact O-N 3.16Å; L254-A257 VanDerWaalsContact O-N 3.16Å; A257-A259 VanDerWaalsContact C-N 3.29Å; A257-A259 PolarHBondContact O-N 2.92Å; A257-E260 PolarHBondContact O-N 2.66Å; A257-L261 PolarHBondContact O-N 2.93Å |
| 258 | E | 77.6 | Confident | 71.3 | Confident | 122 Ų | 122 | 111.8 Ų | 111.8 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.3 | -36.6 | 174 | -75 | -176.4 | 159.6 | 0 | 0 | 111.9 | L254 E260 L261 A262 | L254-E258 HydrophobicContact CD2-CG 4.16Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.3Å; L254-E258 WeakPolarHBondContact O-CG 3.49Å; L254-E258 PolarHBondContact O-N 2.95Å; E258-E260 VanDerWaalsContact C-N 3.34Å; E258-E260 PolarHBondContact O-N 3.47Å; E258-L261 PolarHBondContact O-N 2.92Å; E258-A262 WeakPolarHBondContact O-CB 3.41Å; E258-A262 PolarHBondContact O-N 3.05Å |
| 259 | A | 71.5 | Confident | 68.8 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65 | -34.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A255 S256 A257 K263 | A255-A259 PolarHBondContact O-N 3.48Å; S256-A259 PolarHBondContact O-N 2.96Å; A257-A259 VanDerWaalsContact C-N 3.29Å; A257-A259 PolarHBondContact O-N 2.92Å; A259-K263 PolarHBondContact O-N 3.32Å |
| 260 | E | 74.9 | Confident | 66.2 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.2 | -43.2 | 174.3 | -99 | -178 | 169.2 | 0 | 0 | 112.7 | S256 A257 E258 A262 K263 L264 | S256-E260 PolarHBondContact O-N 3.36Å; A257-E260 PolarHBondContact O-N 2.66Å; E258-E260 VanDerWaalsContact C-N 3.34Å; E258-E260 PolarHBondContact O-N 3.47Å; E260-A262 VanDerWaalsContact C-N 3.31Å; E260-A262 PolarHBondContact O-N 3.35Å; E260-K263 WeakPolarHBondContact O-CB 3.36Å; E260-K263 PolarHBondContact O-N 3.09Å; E260-K263 VanDerWaalsContact O-N 3.1Å; E260-L264 PolarHBondContact O-N 2.84Å; E260-L264 VanDerWaalsContact O-N 3.09Å |
| 261 | L | 63 | Low | 63.4 | Low | 99 Ų | 99 | 115.6 Ų | 115.6 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.5 | -34.7 | 177.2 | -83.3 | 171.8 | 0 | 0 | 0 | 112.5 | A257 E258 K263 L264 R265 | A257-L261 PolarHBondContact O-N 2.93Å; E258-L261 PolarHBondContact O-N 2.92Å; L261-K263 PolarHBondContact O-N 3.46Å; L261-L264 PolarHBondContact O-N 3.38Å; L261-R265 WeakPolarHBondContact O-CB 3.43Å; L261-R265 WeakPolarHBondContact O-CG 2.98Å; L261-R265 PolarHBondContact O-N 2.74Å; L261-R265 VanDerWaalsContact O-N 3.14Å |
| 262 | A | 62.3 | Low | 61.1 | Low | 65 Ų | 65 | 116 Ų | 116 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.4 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E258 E260 | E258-A262 WeakPolarHBondContact O-CB 3.41Å; E258-A262 PolarHBondContact O-N 3.05Å; E260-A262 VanDerWaalsContact C-N 3.31Å; E260-A262 PolarHBondContact O-N 3.35Å |
| 263 | K | 63.9 | Low | 58.6 | Low | 156 Ų | 156 | 122.2 Ų | 122.2 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.2 | -39.8 | 179.5 | -152.5 | 176.9 | -175.7 | -177.4 | 0 | 112.9 | A259 E260 L261 | A259-K263 PolarHBondContact O-N 3.32Å; E260-K263 WeakPolarHBondContact O-CB 3.36Å; E260-K263 PolarHBondContact O-N 3.09Å; E260-K263 VanDerWaalsContact O-N 3.1Å; L261-K263 PolarHBondContact O-N 3.46Å |
| 264 | L | 55 | Low | 56.3 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 62% | 0.623 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.5 | -27.9 | 179.5 | -72.8 | 168 | 0 | 0 | 0 | 113.4 | E260 L261 E266 D267 | E260-L264 PolarHBondContact O-N 2.84Å; E260-L264 VanDerWaalsContact O-N 3.09Å; L261-L264 PolarHBondContact O-N 3.38Å; L264-E266 VanDerWaalsContact C-N 3.25Å; L264-E266 PolarHBondContact O-N 2.86Å; L264-D267 PolarHBondContact O-N 2.89Å |
| 265 | R | 55.5 | Low | 54.7 | Low | 206 Ų | 206 | 121.2 Ų | 121.2 | 78% | 0.777 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.8 | -18 | 176.9 | -80.8 | 178.7 | 173.6 | 172.1 | 0 | 113.4 | L261 D267 | L261-R265 WeakPolarHBondContact O-CB 3.43Å; L261-R265 WeakPolarHBondContact O-CG 2.98Å; L261-R265 PolarHBondContact O-N 2.74Å; L261-R265 VanDerWaalsContact O-N 3.14Å; R265-D267 VanDerWaalsContact C-N 3.3Å |
| 266 | E | 57 | Low | 53.1 | Low | 165 Ų | 165 | 125.1 Ų | 125.1 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -24.6 | 175.3 | -165.3 | 169.3 | -175.7 | 0 | 0 | 112.3 | L264 | L264-E266 VanDerWaalsContact C-N 3.25Å; L264-E266 PolarHBondContact O-N 2.86Å |
| 267 | D | 48.1 | Very low | 51.9 | Low | 123 Ų | 123 | 124.5 Ų | 124.5 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4.5 | -167.7 | -76.6 | -18.3 | 0 | 0 | 0 | 115.8 | L264 R265 | L264-D267 PolarHBondContact O-N 2.89Å; R265-D267 VanDerWaalsContact C-N 3.3Å |
| 268 | H | 36.7 | Very low | 51.1 | Low | 172 Ų | 172 | 124.6 Ų | 124.6 | 80% | 0.796 | 66% | 0.661 | S | S | * | * | trans | -136.3 | 91.7 | -168.4 | -81.8 | 41.3 | 0 | 0 | 0 | 113.3 | ||||
| 269 | A | 35.2 | Very low | 50.1 | Low | 95 Ų | 95 | 124.1 Ų | 124.1 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -148.4 | 91.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 270 | D | 32.3 | Very low | 49.8 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | trans | -152.5 | 112.8 | 164.9 | -98.4 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 271 | I | 30.2 | Very low | 49.5 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | trans | 10.8 | 155.4 | 130.2 | -48.7 | 164.4 | 0 | 0 | 0 | 117.3 | ||||
| 272 | P | 34.7 | Very low | 49.8 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | cis | -143.5 | 169.1 | 9.6 | 20.6 | 8.2 | 0 | 0 | 0 | 120.1 | ||||
| 273 | K | 33.7 | Very low | 50.5 | Low | 196 Ų | 196 | 129.9 Ų | 129.9 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | trans | 48.7 | 107.5 | 138.8 | -62.5 | -178.6 | -178.8 | 179.2 | 0 | 124 | ||||
| 274 | L | 35.1 | Very low | 51.1 | Low | 130 Ų | 130 | 125.9 Ų | 125.9 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | trans | -10.7 | 116.8 | 143.2 | -98.5 | 62.4 | 0 | 0 | 0 | 119.9 | D278 | L274-D278 WeakPolarHBondContact CD2-OD2 3.36Å; L274-D278 WeakPolarHBondContact CG-OD2 3.17Å | ||
| 275 | P | 46.3 | Very low | 52.4 | Low | 97 Ų | 97 | 125 Ų | 125 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | trans | -112.6 | 158.4 | 150.6 | 24.8 | -7.6 | 0 | 0 | 0 | 111.7 | A277 D278 | P275-A277 PolarHBondContact O-N 3.45Å; P275-D278 PolarHBondContact O-N 3.05Å | ||
| 276 | I | 46.6 | Very low | 53.6 | Low | 142 Ų | 142 | 119.7 Ų | 119.7 | 73% | 0.728 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.8 | -6.2 | -174.3 | -58.1 | 163.8 | 0 | 0 | 0 | 117.9 | D278 I279 | I276-D278 PolarHBondContact O-N 2.86Å; I276-D278 VanDerWaalsContact O-N 3.09Å; I276-I279 HydrophobicContact CG2-CD1 4.02Å; I276-I279 PolarHBondContact O-N 2.95Å |
| 277 | A | 56.7 | Low | 54.9 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -55 | -19.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P275 I279 S280 R281 | P275-A277 PolarHBondContact O-N 3.45Å; A277-I279 PolarHBondContact O-N 2.9Å; A277-I279 VanDerWaalsContact O-N 3.16Å; A277-S280 CarbonylContact O-C 3.52Å; A277-S280 WeakPolarHBondContact O-CA 3.49Å; A277-S280 WeakPolarHBondContact O-CB 3.26Å; A277-S280 PolarHBondContact O-N 3.41Å; A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 3.46Å |
| 278 | D | 56.9 | Low | 56.7 | Low | 49 Ų | 49 | 116.7 Ų | 116.7 | 26% | 0.262 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -56.1 | -24.5 | 170.3 | -89.5 | 12 | 0 | 0 | 0 | 114.1 | L274 P275 I276 R281 L282 | L274-D278 WeakPolarHBondContact CD2-OD2 3.36Å; L274-D278 WeakPolarHBondContact CG-OD2 3.17Å; P275-D278 PolarHBondContact O-N 3.05Å; I276-D278 PolarHBondContact O-N 2.86Å; I276-D278 VanDerWaalsContact O-N 3.09Å; D278-R281 PolarHBondContact O-N 2.83Å; D278-L282 VanDerWaalsContact O-CB 3.25Å; D278-L282 WeakPolarHBondContact O-CB 3.15Å; D278-L282 WeakPolarHBondContact O-CG 3.34Å; D278-L282 PolarHBondContact O-N 3.34Å |
| 279 | I | 56.1 | Low | 59 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70 | -43.9 | 172 | -60.5 | 176.8 | 0 | 0 | 0 | 110.1 | I276 A277 R281 L282 Q283 | I276-I279 HydrophobicContact CG2-CD1 4.02Å; I276-I279 PolarHBondContact O-N 2.95Å; A277-I279 PolarHBondContact O-N 2.9Å; A277-I279 VanDerWaalsContact O-N 3.16Å; I279-R281 VanDerWaalsContact C-N 3.3Å; I279-R281 PolarHBondContact O-N 3.3Å; I279-L282 PolarHBondContact O-N 3.39Å; I279-Q283 WeakPolarHBondContact O-CB 3.44Å; I279-Q283 PolarHBondContact O-N 3.32Å |
| 280 | S | 66.3 | Low | 61.4 | Low | 79 Ų | 79 | 113.4 Ų | 113.4 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.9 | -32.5 | 172.9 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | A277 Q283 C284 | A277-S280 CarbonylContact O-C 3.52Å; A277-S280 WeakPolarHBondContact O-CA 3.49Å; A277-S280 WeakPolarHBondContact O-CB 3.26Å; A277-S280 PolarHBondContact O-N 3.41Å; S280-Q283 PolarHBondContact O-N 3.47Å; S280-C284 PolarHBondContact O-N 2.93Å |
| 281 | R | 67.4 | Low | 63.9 | Low | 178 Ų | 178 | 113.4 Ų | 113.4 | 67% | 0.672 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.9 | -40.2 | 176.8 | -140.2 | 178.6 | -168.5 | 171.2 | 2.7 | 111.6 | A277 D278 I279 Q283 C284 R285 | A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 3.46Å; D278-R281 PolarHBondContact O-N 2.83Å; I279-R281 VanDerWaalsContact C-N 3.3Å; I279-R281 PolarHBondContact O-N 3.3Å; R281-Q283 VanDerWaalsContact C-N 3.27Å; R281-C284 PolarHBondContact O-N 3.44Å; R281-R285 VanDerWaalsContact O-CB 3.28Å; R281-R285 WeakPolarHBondContact O-CB 3.46Å; R281-R285 PolarHBondContact O-N 3.34Å |
| 282 | L | 70.5 | Confident | 66.7 | Low | 112 Ų | 112 | 111.5 Ų | 111.5 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.8 | -34.4 | 170.9 | -74.5 | 171.2 | 0 | 0 | 0 | 110.9 | D278 I279 R285 I286 | D278-L282 VanDerWaalsContact O-CB 3.25Å; D278-L282 WeakPolarHBondContact O-CB 3.15Å; D278-L282 WeakPolarHBondContact O-CG 3.34Å; D278-L282 PolarHBondContact O-N 3.34Å; I279-L282 PolarHBondContact O-N 3.39Å; L282-R285 CarbonylContact O-C 3.58Å; L282-R285 WeakPolarHBondContact O-CB 3.22Å; L282-R285 PolarHBondContact O-N 2.92Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.43Å; L282-I286 PolarHBondContact O-N 3.38Å |
| 283 | Q | 76.1 | Confident | 69.1 | Low | 118 Ų | 118 | 112.6 Ų | 112.6 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.4 | -45.5 | 175.6 | -160.1 | 163.5 | -5.3 | 0 | 0 | 112.1 | I279 S280 R281 R285 I286 E287 | I279-Q283 WeakPolarHBondContact O-CB 3.44Å; I279-Q283 PolarHBondContact O-N 3.32Å; S280-Q283 PolarHBondContact O-N 3.47Å; R281-Q283 VanDerWaalsContact C-N 3.27Å; Q283-R285 PolarHBondContact O-N 3.43Å; Q283-I286 PolarHBondContact O-N 2.93Å; Q283-E287 PolarHBondContact O-N 2.87Å |
| 284 | C | 76.3 | Confident | 71.6 | Confident | 72 Ų | 72 | 106.8 Ų | 106.8 | 49% | 0.486 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.3 | -32.9 | 167.1 | -83.9 | 0 | 0 | 0 | 0 | 112.2 | S280 R281 E287 E288 | S280-C284 PolarHBondContact O-N 2.93Å; R281-C284 PolarHBondContact O-N 3.44Å; C284-E287 PolarHBondContact O-N 3.5Å; C284-E288 WeakPolarHBondContact O-CB 3.38Å; C284-E288 WeakPolarHBondContact O-CG 3.42Å; C284-E288 PolarHBondContact O-N 3.39Å |
| 285 | R | 82.7 | Confident | 74.2 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 38% | 0.381 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.3 | -35.6 | 177 | -175.5 | 58 | -178.2 | 152 | 8.9 | 112 | R281 L282 Q283 E288 L289 E292 | R281-R285 VanDerWaalsContact O-CB 3.28Å; R281-R285 WeakPolarHBondContact O-CB 3.46Å; R281-R285 PolarHBondContact O-N 3.34Å; L282-R285 CarbonylContact O-C 3.58Å; L282-R285 WeakPolarHBondContact O-CB 3.22Å; L282-R285 PolarHBondContact O-N 2.92Å; Q283-R285 PolarHBondContact O-N 3.43Å; R285-E288 WeakPolarHBondContact CD-OE2 3.33Å; R285-E288 IonicContact CZ-OE2 3.69Å; R285-E288 IonicContact NH1-OE2 2.62Å; R285-E288 PolarHBondContact NH1-OE2 3.49Å; R285-L289 HydrophobicContact CG-CD1 4.3Å; R285-L289 WeakPolarHBondContact O-CB 3.32Å; R285-L289 VanDerWaalsContact O-CG 3.25Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.32Å; R285-E292 IonicContact NH2-OE2 2.86Å |
| 286 | I | 81 | Confident | 76.2 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 171.3 | -70.4 | 163.7 | 0 | 0 | 0 | 109.1 | L282 Q283 E288 L289 E290 | L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.43Å; L282-I286 PolarHBondContact O-N 3.38Å; Q283-I286 PolarHBondContact O-N 2.93Å; I286-E288 PolarHBondContact O-N 3.23Å; I286-L289 PolarHBondContact O-N 3.05Å; I286-E290 HydrophobicContact CG2-CG 4.41Å; I286-E290 WeakPolarHBondContact O-CB 3.41Å; I286-E290 WeakPolarHBondContact O-CG 3.33Å; I286-E290 PolarHBondContact O-N 2.74Å |
| 287 | E | 84.5 | Confident | 78.3 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.9 | -71.9 | 173.3 | 175.8 | 0 | 0 | 112.4 | Q283 C284 E290 F291 | Q283-E287 PolarHBondContact O-N 2.87Å; C284-E287 PolarHBondContact O-N 3.5Å; E287-E290 PolarHBondContact O-N 2.83Å; E287-F291 WeakPolarHBondContact O-CB 3.44Å; E287-F291 PolarHBondContact O-N 3.02Å |
| 288 | E | 85.3 | Confident | 79.9 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 171.7 | -88.4 | -178.2 | 175.2 | 0 | 0 | 111.4 | C284 R285 I286 E290 F291 E292 | C284-E288 WeakPolarHBondContact O-CB 3.38Å; C284-E288 WeakPolarHBondContact O-CG 3.42Å; C284-E288 PolarHBondContact O-N 3.39Å; R285-E288 WeakPolarHBondContact CD-OE2 3.33Å; R285-E288 IonicContact CZ-OE2 3.69Å; R285-E288 IonicContact NH1-OE2 2.62Å; R285-E288 PolarHBondContact NH1-OE2 3.49Å; I286-E288 PolarHBondContact O-N 3.23Å; E288-E290 VanDerWaalsContact C-N 3.3Å; E288-E290 PolarHBondContact O-N 3.38Å; E288-F291 CarbonylContact O-C 3.58Å; E288-F291 WeakPolarHBondContact O-CB 3.48Å; E288-F291 PolarHBondContact O-N 2.93Å; E288-E292 WeakPolarHBondContact O-CB 3.22Å; E288-E292 PolarHBondContact O-N 3.31Å |
| 289 | L | 84.5 | Confident | 81.6 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 179.1 | -77.5 | 171.5 | 0 | 0 | 0 | 111.5 | R285 I286 E292 L293 | R285-L289 HydrophobicContact CG-CD1 4.3Å; R285-L289 WeakPolarHBondContact O-CB 3.32Å; R285-L289 VanDerWaalsContact O-CG 3.25Å; R285-L289 WeakPolarHBondContact O-CG 3.29Å; R285-L289 PolarHBondContact O-N 3.32Å; I286-L289 PolarHBondContact O-N 3.05Å; L289-E292 PolarHBondContact O-N 3.46Å; L289-L293 WeakPolarHBondContact O-CB 3.39Å; L289-L293 PolarHBondContact O-N 2.89Å |
| 290 | E | 87.4 | Confident | 83.1 | Confident | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 173.3 | -75.1 | 178 | 173.6 | 0 | 0 | 111.8 | I286 E287 E288 S294 | I286-E290 HydrophobicContact CG2-CG 4.41Å; I286-E290 WeakPolarHBondContact O-CB 3.41Å; I286-E290 WeakPolarHBondContact O-CG 3.33Å; I286-E290 PolarHBondContact O-N 2.74Å; E287-E290 PolarHBondContact O-N 2.83Å; E288-E290 VanDerWaalsContact C-N 3.3Å; E288-E290 PolarHBondContact O-N 3.38Å; E290-S294 WeakPolarHBondContact O-CB 3.34Å; E290-S294 PolarHBondContact O-N 3.38Å; E290-S294 PolarHBondContact O-OG 3.18Å |
| 291 | F | 84.8 | Confident | 84.3 | Confident | 154 Ų | 154 | 107.2 Ų | 107.2 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 172.2 | -178 | -98.2 | 0 | 0 | 0 | 111.8 | E287 E288 L293 S294 S295 | E287-F291 WeakPolarHBondContact O-CB 3.44Å; E287-F291 PolarHBondContact O-N 3.02Å; E288-F291 CarbonylContact O-C 3.58Å; E288-F291 WeakPolarHBondContact O-CB 3.48Å; E288-F291 PolarHBondContact O-N 2.93Å; F291-L293 VanDerWaalsContact C-N 3.35Å; F291-S294 PolarHBondContact O-N 2.75Å; F291-S295 VanDerWaalsContact O-CB 3.31Å; F291-S295 WeakPolarHBondContact O-CB 3.18Å; F291-S295 PolarHBondContact O-N 2.96Å |
| 292 | E | 88 | Confident | 85.5 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 176.4 | -136.4 | 167.3 | -156.4 | 0 | 0 | 110.5 | R285 E288 L289 S295 C296 | R285-E292 IonicContact NH2-OE2 2.86Å; E288-E292 WeakPolarHBondContact O-CB 3.22Å; E288-E292 PolarHBondContact O-N 3.31Å; L289-E292 PolarHBondContact O-N 3.46Å; E292-S295 PolarHBondContact O-N 3.2Å; E292-C296 WeakPolarHBondContact O-CB 3.4Å; E292-C296 PolarHBondContact O-N 3.35Å |
| 293 | L | 84.8 | Confident | 86.5 | Confident | 130 Ų | 130 | 100.7 Ų | 100.7 | 68% | 0.681 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 173.9 | -165.3 | 99.3 | 0 | 0 | 0 | 111.1 | L289 F291 S297 | L289-L293 WeakPolarHBondContact O-CB 3.39Å; L289-L293 PolarHBondContact O-N 2.89Å; F291-L293 VanDerWaalsContact C-N 3.35Å; L293-S297 WeakPolarHBondContact O-CB 3.44Å; L293-S297 PolarHBondContact O-N 3.47Å |
| 294 | S | 87.3 | Confident | 87.4 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.6 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | E290 F291 S297 Q298 | E290-S294 WeakPolarHBondContact O-CB 3.34Å; E290-S294 PolarHBondContact O-N 3.38Å; E290-S294 PolarHBondContact O-OG 3.18Å; F291-S294 PolarHBondContact O-N 2.75Å; S294-S297 PolarHBondContact O-N 2.86Å; S294-Q298 WeakPolarHBondContact O-CB 3.28Å; S294-Q298 PolarHBondContact O-N 3.49Å |
| 295 | S | 89 | Confident | 88.2 | Confident | 63 Ų | 63 | 101.3 Ų | 101.3 | 44% | 0.441 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | F291 E292 S297 Q298 Q299 | F291-S295 VanDerWaalsContact O-CB 3.31Å; F291-S295 WeakPolarHBondContact O-CB 3.18Å; F291-S295 PolarHBondContact O-N 2.96Å; E292-S295 PolarHBondContact O-N 3.2Å; S295-S297 VanDerWaalsContact C-N 3.34Å; S295-S297 PolarHBondContact O-N 2.86Å; S295-Q298 WeakPolarHBondContact O-CB 3.39Å; S295-Q298 PolarHBondContact O-N 3.44Å; S295-Q299 WeakPolarHBondContact O-CB 3.23Å; S295-Q299 PolarHBondContact O-N 3.02Å |
| 296 | C | 88.6 | Confident | 88.8 | Confident | 78 Ų | 78 | 101.2 Ų | 101.2 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | E292 Q299 K300 | E292-C296 WeakPolarHBondContact O-CB 3.4Å; E292-C296 PolarHBondContact O-N 3.35Å; C296-Q299 PolarHBondContact O-N 3.26Å; C296-K300 VanDerWaalsContact O-CB 3.31Å; C296-K300 WeakPolarHBondContact O-CB 3.42Å; C296-K300 PolarHBondContact O-N 2.95Å |
| 297 | S | 89.4 | Confident | 89.3 | Confident | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | L293 S294 S295 K300 S301 | L293-S297 WeakPolarHBondContact O-CB 3.44Å; L293-S297 PolarHBondContact O-N 3.47Å; S294-S297 PolarHBondContact O-N 2.86Å; S295-S297 VanDerWaalsContact C-N 3.34Å; S295-S297 PolarHBondContact O-N 2.86Å; S297-K300 PolarHBondContact O-N 3.48Å; S297-S301 PolarHBondContact O-N 2.92Å |
| 298 | Q | 90.5 | Very high | 89.8 | Confident | 148 Ų | 148 | 102.8 Ų | 102.8 | 69% | 0.692 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 174 | -166.9 | 85 | 23.1 | 0 | 0 | 111.3 | S294 S295 S301 S302 | S294-Q298 WeakPolarHBondContact O-CB 3.28Å; S294-Q298 PolarHBondContact O-N 3.49Å; S295-Q298 WeakPolarHBondContact O-CB 3.39Å; S295-Q298 PolarHBondContact O-N 3.44Å; Q298-S301 WeakPolarHBondContact O-CB 3.39Å; Q298-S301 PolarHBondContact O-N 3.37Å; Q298-S302 PolarHBondContact O-N 3.17Å |
| 299 | Q | 92.5 | Very high | 90.2 | Very high | 122 Ų | 122 | 100.6 Ų | 100.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 177.5 | -170.2 | -179.5 | 4.2 | 0 | 0 | 111.2 | S295 C296 S302 L303 | S295-Q299 WeakPolarHBondContact O-CB 3.23Å; S295-Q299 PolarHBondContact O-N 3.02Å; C296-Q299 PolarHBondContact O-N 3.26Å; Q299-S302 PolarHBondContact O-N 2.92Å; Q299-L303 HydrophobicContact CG-CD1 4.41Å; Q299-L303 WeakPolarHBondContact O-CB 3.49Å; Q299-L303 WeakPolarHBondContact O-CG 3.45Å; Q299-L303 PolarHBondContact O-N 3.36Å |
| 300 | K | 88.2 | Confident | 90.6 | Very high | 142 Ų | 142 | 102.4 Ų | 102.4 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 173.3 | -175 | -179.6 | 177.5 | -177.7 | 0 | 111.6 | C296 S297 L303 L304 | C296-K300 VanDerWaalsContact O-CB 3.31Å; C296-K300 WeakPolarHBondContact O-CB 3.42Å; C296-K300 PolarHBondContact O-N 2.95Å; S297-K300 PolarHBondContact O-N 3.48Å; K300-L303 PolarHBondContact O-N 3.07Å; K300-L304 HydrophobicContact CG-CD1 4.38Å; K300-L304 WeakPolarHBondContact O-CB 3.46Å; K300-L304 VanDerWaalsContact O-CG 3.32Å; K300-L304 WeakPolarHBondContact O-CG 3.33Å; K300-L304 PolarHBondContact O-N 3.45Å |
| 301 | S | 90.7 | Very high | 91 | Very high | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 173.3 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | S297 Q298 L303 L304 D305 | S297-S301 PolarHBondContact O-N 2.92Å; Q298-S301 WeakPolarHBondContact O-CB 3.39Å; Q298-S301 PolarHBondContact O-N 3.37Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-L303 PolarHBondContact O-N 3.24Å; S301-L304 WeakPolarHBondContact O-CB 3.15Å; S301-L304 PolarHBondContact O-N 3.37Å; S301-L304 VanDerWaalsContact O-N 3.14Å; S301-D305 VanDerWaalsContact O-CG 3.32Å; S301-D305 PolarHBondContact O-N 2.94Å |
| 302 | S | 93.2 | Very high | 91.4 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | Q298 Q299 D305 Q306 | Q298-S302 PolarHBondContact O-N 3.17Å; Q299-S302 PolarHBondContact O-N 2.92Å; S302-D305 PolarHBondContact O-N 2.96Å; S302-Q306 WeakPolarHBondContact O-CG 3.42Å; S302-Q306 PolarHBondContact O-N 3.19Å |
| 303 | L | 92 | Very high | 91.7 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 174.9 | -75.8 | 172.1 | 0 | 0 | 0 | 112 | Q299 K300 S301 Q306 L307 | Q299-L303 HydrophobicContact CG-CD1 4.41Å; Q299-L303 WeakPolarHBondContact O-CB 3.49Å; Q299-L303 WeakPolarHBondContact O-CG 3.45Å; Q299-L303 PolarHBondContact O-N 3.36Å; K300-L303 PolarHBondContact O-N 3.07Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-L303 PolarHBondContact O-N 3.24Å; L303-Q306 PolarHBondContact O-N 3.02Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 PolarHBondContact O-N 3.1Å |
| 304 | L | 94.5 | Very high | 92.2 | Very high | 99 Ų | 99 | 98 Ų | 98 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 173.6 | -76.1 | 170.4 | 0 | 0 | 0 | 111.7 | K300 S301 Q306 L307 E308 | K300-L304 HydrophobicContact CG-CD1 4.38Å; K300-L304 WeakPolarHBondContact O-CB 3.46Å; K300-L304 VanDerWaalsContact O-CG 3.32Å; K300-L304 WeakPolarHBondContact O-CG 3.33Å; K300-L304 PolarHBondContact O-N 3.45Å; S301-L304 WeakPolarHBondContact O-CB 3.15Å; S301-L304 PolarHBondContact O-N 3.37Å; S301-L304 VanDerWaalsContact O-N 3.14Å; L304-Q306 VanDerWaalsContact C-N 3.34Å; L304-Q306 PolarHBondContact O-N 2.91Å; L304-L307 PolarHBondContact O-N 2.88Å; L304-L307 VanDerWaalsContact O-N 3.16Å; L304-E308 WeakPolarHBondContact O-CB 3.27Å; L304-E308 PolarHBondContact O-N 2.94Å |
| 305 | D | 93.3 | Very high | 92.6 | Very high | 103 Ų | 103 | 96.7 Ų | 96.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 176 | -65.2 | -29.9 | 0 | 0 | 0 | 111.5 | S301 S302 E308 S309 | S301-D305 VanDerWaalsContact O-CG 3.32Å; S301-D305 PolarHBondContact O-N 2.94Å; S302-D305 PolarHBondContact O-N 2.96Å; D305-E308 PolarHBondContact O-N 3.34Å; D305-S309 WeakPolarHBondContact O-CB 3.38Å; D305-S309 PolarHBondContact O-N 3.26Å; D305-S309 PolarHBondContact O-OG 2.89Å |
| 306 | Q | 94.9 | Very high | 92.8 | Very high | 100 Ų | 100 | 96.7 Ų | 96.7 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.4 | -74.3 | 177.6 | 34.2 | 0 | 0 | 111.5 | S302 L303 L304 S309 L310 | S302-Q306 WeakPolarHBondContact O-CG 3.42Å; S302-Q306 PolarHBondContact O-N 3.19Å; L303-Q306 PolarHBondContact O-N 3.02Å; L304-Q306 VanDerWaalsContact C-N 3.34Å; L304-Q306 PolarHBondContact O-N 2.91Å; Q306-S309 WeakPolarHBondContact CA-OG 3.23Å; Q306-S309 PolarHBondContact O-N 2.85Å; Q306-S309 PolarHBondContact O-OG 3.06Å; Q306-L310 WeakPolarHBondContact O-CB 3.45Å; Q306-L310 PolarHBondContact O-N 2.88Å |
| 307 | L | 92.5 | Very high | 93.1 | Very high | 109 Ų | 109 | 97.6 Ų | 97.6 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | 178.1 | -152 | 158 | 0 | 0 | 0 | 111.3 | L303 L304 K311 | L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 PolarHBondContact O-N 3.1Å; L304-L307 PolarHBondContact O-N 2.88Å; L304-L307 VanDerWaalsContact O-N 3.16Å; L307-K311 WeakPolarHBondContact O-CB 3.32Å; L307-K311 PolarHBondContact O-N 3.44Å |
| 308 | E | 94.2 | Very high | 93.4 | Very high | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 174.3 | -161.9 | 83.2 | -129.8 | 0 | 0 | 111.6 | L304 D305 K311 S312 | L304-E308 WeakPolarHBondContact O-CB 3.27Å; L304-E308 PolarHBondContact O-N 2.94Å; D305-E308 PolarHBondContact O-N 3.34Å; E308-K311 PolarHBondContact O-N 3.41Å; E308-S312 WeakPolarHBondContact O-CB 3.46Å; E308-S312 PolarHBondContact O-N 2.69Å; E308-S312 PolarHBondContact O-OG 2.89Å |
| 309 | S | 93.8 | Very high | 93.6 | Very high | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 176.3 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | D305 Q306 S312 S313 | D305-S309 WeakPolarHBondContact O-CB 3.38Å; D305-S309 PolarHBondContact O-N 3.26Å; D305-S309 PolarHBondContact O-OG 2.89Å; Q306-S309 WeakPolarHBondContact CA-OG 3.23Å; Q306-S309 PolarHBondContact O-N 2.85Å; Q306-S309 PolarHBondContact O-OG 3.06Å; S309-S312 WeakPolarHBondContact CA-OG 3.43Å; S309-S312 PolarHBondContact O-OG 3.13Å; S309-S313 VanDerWaalsContact O-CB 3.24Å; S309-S313 WeakPolarHBondContact O-CB 3.45Å; S309-S313 PolarHBondContact O-N 2.9Å |
| 310 | L | 93.1 | Very high | 93.8 | Very high | 121 Ų | 121 | 96.7 Ų | 96.7 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 172.9 | -98.3 | 144.4 | 0 | 0 | 0 | 111.4 | Q306 S313 K314 | Q306-L310 WeakPolarHBondContact O-CB 3.45Å; Q306-L310 PolarHBondContact O-N 2.88Å; L310-S313 PolarHBondContact O-N 3.05Å; L310-K314 WeakPolarHBondContact O-CB 3.39Å; L310-K314 PolarHBondContact O-N 3.4Å |
| 311 | K | 94.9 | Very high | 94 | Very high | 135 Ų | 135 | 94.7 Ų | 94.7 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 177.5 | -172.5 | -178 | 178.2 | -170.7 | 0 | 111.8 | L307 E308 S315 | L307-K311 WeakPolarHBondContact O-CB 3.32Å; L307-K311 PolarHBondContact O-N 3.44Å; E308-K311 PolarHBondContact O-N 3.41Å; K311-S315 VanDerWaalsContact O-CB 3.3Å; K311-S315 WeakPolarHBondContact O-CB 3.46Å; K311-S315 PolarHBondContact O-N 3.01Å |
| 312 | S | 93.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 96.7 Ų | 96.7 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 175 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | E308 S309 S315 S316 | E308-S312 WeakPolarHBondContact O-CB 3.46Å; E308-S312 PolarHBondContact O-N 2.69Å; E308-S312 PolarHBondContact O-OG 2.89Å; S309-S312 WeakPolarHBondContact CA-OG 3.43Å; S309-S312 PolarHBondContact O-OG 3.13Å; S312-S315 PolarHBondContact O-N 3.42Å; S312-S316 WeakPolarHBondContact O-CB 3.45Å; S312-S316 PolarHBondContact O-N 2.81Å |
| 313 | S | 94.7 | Very high | 94.4 | Very high | 77 Ų | 77 | 97.9 Ų | 97.9 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | S309 L310 S315 S316 N317 | S309-S313 VanDerWaalsContact O-CB 3.24Å; S309-S313 WeakPolarHBondContact O-CB 3.45Å; S309-S313 PolarHBondContact O-N 2.9Å; L310-S313 PolarHBondContact O-N 3.05Å; S313-S315 PolarHBondContact O-N 2.97Å; S313-S316 WeakPolarHBondContact O-CB 3.32Å; S313-S316 PolarHBondContact O-N 3.2Å; S313-N317 WeakPolarHBondContact O-CB 3.33Å; S313-N317 PolarHBondContact O-N 3.3Å |
| 314 | K | 95 | Very high | 94.5 | Very high | 132 Ų | 132 | 96.2 Ų | 96.2 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -47.9 | 174.3 | -172.9 | -170.8 | -179.2 | -152.4 | 0 | 111.4 | L310 S316 N317 E318 | L310-K314 WeakPolarHBondContact O-CB 3.39Å; L310-K314 PolarHBondContact O-N 3.4Å; K314-S316 VanDerWaalsContact C-N 3.33Å; K314-S316 PolarHBondContact O-N 3.35Å; K314-N317 PolarHBondContact O-N 3.26Å; K314-E318 WeakPolarHBondContact CE-OE1 3.5Å; K314-E318 IonicContact NZ-OE1 3.91Å; K314-E318 PolarHBondContact NZ-OE1 3.08Å; K314-E318 WeakPolarHBondContact O-CG 3.48Å; K314-E318 PolarHBondContact O-N 3.08Å |
| 315 | S | 94.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 95.8 Ų | 95.8 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | K311 S312 S313 K319 | K311-S315 VanDerWaalsContact O-CB 3.3Å; K311-S315 WeakPolarHBondContact O-CB 3.46Å; K311-S315 PolarHBondContact O-N 3.01Å; S312-S315 PolarHBondContact O-N 3.42Å; S313-S315 PolarHBondContact O-N 2.97Å; S315-K319 WeakPolarHBondContact O-CG 3.36Å; S315-K319 PolarHBondContact O-N 3.33Å; S315-K319 VanDerWaalsContact O-N 3.09Å |
| 316 | S | 94.3 | Very high | 94.6 | Very high | 63 Ų | 63 | 95.5 Ų | 95.5 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 173.3 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | S312 S313 K314 K319 N320 | S312-S316 WeakPolarHBondContact O-CB 3.45Å; S312-S316 PolarHBondContact O-N 2.81Å; S313-S316 WeakPolarHBondContact O-CB 3.32Å; S313-S316 PolarHBondContact O-N 3.2Å; K314-S316 VanDerWaalsContact C-N 3.33Å; K314-S316 PolarHBondContact O-N 3.35Å; S316-K319 PolarHBondContact O-N 3.44Å; S316-N320 VanDerWaalsContact O-CG 3.27Å; S316-N320 PolarHBondContact O-N 3.09Å; S316-N320 PolarHBondContact O-ND2 3.03Å |
| 317 | N | 93.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 179.3 | -152.6 | 19.1 | 0 | 0 | 0 | 112.6 | S313 K314 K319 N320 L321 | S313-N317 WeakPolarHBondContact O-CB 3.33Å; S313-N317 PolarHBondContact O-N 3.3Å; K314-N317 PolarHBondContact O-N 3.26Å; N317-K319 VanDerWaalsContact C-N 3.34Å; N317-K319 PolarHBondContact O-N 3.08Å; N317-N320 PolarHBondContact O-N 2.93Å; N317-L321 WeakPolarHBondContact O-CB 3.36Å; N317-L321 WeakPolarHBondContact O-CG 3.1Å; N317-L321 PolarHBondContact O-N 3.39Å |
| 318 | E | 96.4 | Very high | 94.6 | Very high | 103 Ų | 103 | 96.5 Ų | 96.5 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 171.9 | -77.7 | 173.2 | 174.3 | 0 | 0 | 111.3 | K314 L321 E322 | K314-E318 WeakPolarHBondContact CE-OE1 3.5Å; K314-E318 IonicContact NZ-OE1 3.91Å; K314-E318 PolarHBondContact NZ-OE1 3.08Å; K314-E318 WeakPolarHBondContact O-CG 3.48Å; K314-E318 PolarHBondContact O-N 3.08Å; E318-L321 PolarHBondContact O-N 3.35Å; E318-E322 WeakPolarHBondContact O-CB 3.3Å; E318-E322 PolarHBondContact O-N 3.46Å |
| 319 | K | 95.8 | Very high | 94.7 | Very high | 133 Ų | 133 | 96 Ų | 96 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 174.7 | -73.4 | 174.4 | -177.9 | 175.4 | 0 | 112.7 | S315 S316 N317 E322 N323 | S315-K319 WeakPolarHBondContact O-CG 3.36Å; S315-K319 PolarHBondContact O-N 3.33Å; S315-K319 VanDerWaalsContact O-N 3.09Å; S316-K319 PolarHBondContact O-N 3.44Å; N317-K319 VanDerWaalsContact C-N 3.34Å; N317-K319 PolarHBondContact O-N 3.08Å; K319-E322 PolarHBondContact O-N 2.88Å; K319-N323 WeakPolarHBondContact O-CB 3.35Å; K319-N323 PolarHBondContact O-N 3.41Å; K319-N323 PolarHBondContact O-ND2 3.45Å |
| 320 | N | 95 | Very high | 94.6 | Very high | 89 Ų | 89 | 96.5 Ų | 96.5 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177 | -69.4 | -24.2 | 0 | 0 | 0 | 111.7 | S316 N317 N323 C324 | S316-N320 VanDerWaalsContact O-CG 3.27Å; S316-N320 PolarHBondContact O-N 3.09Å; S316-N320 PolarHBondContact O-ND2 3.03Å; N317-N320 PolarHBondContact O-N 2.93Å; N320-N323 PolarHBondContact O-N 3.41Å; N320-C324 VanDerWaalsContact O-CB 3.32Å; N320-C324 WeakPolarHBondContact O-CB 3.36Å; N320-C324 PolarHBondContact O-N 3.06Å |
| 321 | L | 93.6 | Very high | 94.7 | Very high | 100 Ų | 100 | 93.8 Ų | 93.8 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 174.6 | -76 | 167.9 | 0 | 0 | 0 | 111.5 | N317 E318 C324 I325 | N317-L321 WeakPolarHBondContact O-CB 3.36Å; N317-L321 WeakPolarHBondContact O-CG 3.1Å; N317-L321 PolarHBondContact O-N 3.39Å; E318-L321 PolarHBondContact O-N 3.35Å; L321-C324 PolarHBondContact O-N 2.84Å; L321-I325 WeakPolarHBondContact O-CB 3.43Å; L321-I325 VanDerWaalsContact O-CG1 3.26Å; L321-I325 WeakPolarHBondContact O-CG1 3.18Å; L321-I325 PolarHBondContact O-N 2.84Å |
| 322 | E | 96.7 | Very high | 94.6 | Very high | 99 Ų | 99 | 92.4 Ų | 92.4 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.1 | -177.1 | 60.9 | -149.5 | 0 | 0 | 111.5 | E318 K319 C324 I325 Q326 | E318-E322 WeakPolarHBondContact O-CB 3.3Å; E318-E322 PolarHBondContact O-N 3.46Å; K319-E322 PolarHBondContact O-N 2.88Å; E322-C324 PolarHBondContact O-N 3.36Å; E322-I325 PolarHBondContact O-N 3.38Å; E322-Q326 WeakPolarHBondContact O-CG 3.38Å; E322-Q326 PolarHBondContact O-N 3.33Å; E322-Q326 PolarHBondContact OE1-NE2 2.92Å |
| 323 | N | 94.2 | Very high | 94.7 | Very high | 83 Ų | 83 | 92.7 Ų | 92.7 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.9 | -71 | -17.6 | 0 | 0 | 0 | 111.7 | K319 N320 I325 Q326 E327 | K319-N323 WeakPolarHBondContact O-CB 3.35Å; K319-N323 PolarHBondContact O-N 3.41Å; K319-N323 PolarHBondContact O-ND2 3.45Å; N320-N323 PolarHBondContact O-N 3.41Å; N323-I325 VanDerWaalsContact C-N 3.34Å; N323-I325 PolarHBondContact O-N 2.95Å; N323-Q326 PolarHBondContact O-N 3.4Å; N323-E327 WeakPolarHBondContact O-CB 3.31Å; N323-E327 WeakPolarHBondContact O-CG 3.37Å; N323-E327 PolarHBondContact O-N 3.37Å |
| 324 | C | 96.1 | Very high | 94.6 | Very high | 61 Ų | 61 | 95.1 Ų | 95.1 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.4 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | N320 L321 E322 E327 L328 | N320-C324 VanDerWaalsContact O-CB 3.32Å; N320-C324 WeakPolarHBondContact O-CB 3.36Å; N320-C324 PolarHBondContact O-N 3.06Å; L321-C324 PolarHBondContact O-N 2.84Å; E322-C324 PolarHBondContact O-N 3.36Å; C324-E327 PolarHBondContact O-N 2.95Å; C324-L328 WeakPolarHBondContact O-CB 3.45Å; C324-L328 VanDerWaalsContact O-CG 3.25Å; C324-L328 WeakPolarHBondContact O-CG 3.47Å; C324-L328 PolarHBondContact O-N 2.98Å |
| 325 | I | 93.7 | Very high | 94.5 | Very high | 90 Ų | 90 | 93.1 Ų | 93.1 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.9 | -70 | 166.4 | 0 | 0 | 0 | 110.4 | L321 E322 N323 L328 Q329 | L321-I325 WeakPolarHBondContact O-CB 3.43Å; L321-I325 VanDerWaalsContact O-CG1 3.26Å; L321-I325 WeakPolarHBondContact O-CG1 3.18Å; L321-I325 PolarHBondContact O-N 2.84Å; E322-I325 PolarHBondContact O-N 3.38Å; N323-I325 VanDerWaalsContact C-N 3.34Å; N323-I325 PolarHBondContact O-N 2.95Å; I325-L328 PolarHBondContact O-N 3.18Å; I325-Q329 VanDerWaalsContact O-CB 3.24Å; I325-Q329 WeakPolarHBondContact O-CB 3.21Å; I325-Q329 PolarHBondContact O-N 2.97Å |
| 326 | Q | 94.6 | Very high | 94.5 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.8 | -72.2 | 178.8 | 11.4 | 0 | 0 | 112.2 | E322 N323 Q329 T330 | E322-Q326 WeakPolarHBondContact O-CG 3.38Å; E322-Q326 PolarHBondContact O-N 3.33Å; E322-Q326 PolarHBondContact OE1-NE2 2.92Å; N323-Q326 PolarHBondContact O-N 3.4Å; Q326-Q329 PolarHBondContact O-N 3.1Å; Q326-T330 VanDerWaalsContact O-CG2 3.31Å; Q326-T330 WeakPolarHBondContact O-CG2 3.23Å; Q326-T330 PolarHBondContact O-N 3.05Å; Q326-T330 PolarHBondContact O-OG1 3.38Å |
| 327 | E | 95 | Very high | 94.5 | Very high | 132 Ų | 132 | 97.3 Ų | 97.3 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 172.8 | -75.7 | -179.9 | -179 | 0 | 0 | 111.6 | N323 C324 Q329 T330 T331 | N323-E327 WeakPolarHBondContact O-CB 3.31Å; N323-E327 WeakPolarHBondContact O-CG 3.37Å; N323-E327 PolarHBondContact O-N 3.37Å; C324-E327 PolarHBondContact O-N 2.95Å; E327-Q329 VanDerWaalsContact C-N 3.31Å; E327-Q329 PolarHBondContact O-N 3.39Å; E327-T330 WeakPolarHBondContact CA-OG1 3.42Å; E327-T330 PolarHBondContact O-N 2.9Å; E327-T330 PolarHBondContact O-OG1 2.91Å; E327-T331 VanDerWaalsContact O-CG2 3.31Å; E327-T331 WeakPolarHBondContact O-CG2 3.33Å; E327-T331 PolarHBondContact O-N 3.37Å; E327-T331 PolarHBondContact O-OG1 3.39Å |
| 328 | L | 93.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 96.5 Ų | 96.5 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.5 | -75.2 | 170 | 0 | 0 | 0 | 111.4 | C324 I325 T331 I332 | C324-L328 WeakPolarHBondContact O-CB 3.45Å; C324-L328 VanDerWaalsContact O-CG 3.25Å; C324-L328 WeakPolarHBondContact O-CG 3.47Å; C324-L328 PolarHBondContact O-N 2.98Å; I325-L328 PolarHBondContact O-N 3.18Å; L328-T331 WeakPolarHBondContact CA-OG1 3.48Å; L328-T331 PolarHBondContact O-N 3.28Å; L328-T331 PolarHBondContact O-OG1 2.67Å; L328-I332 WeakPolarHBondContact O-CB 3.47Å; L328-I332 WeakPolarHBondContact O-CD1 3.11Å; L328-I332 WeakPolarHBondContact O-CG1 3.47Å; L328-I332 PolarHBondContact O-N 2.94Å |
| 329 | Q | 96.1 | Very high | 94.2 | Very high | 120 Ų | 120 | 97 Ų | 97 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.3 | -37.6 | 179.5 | -169.6 | 166.7 | -17.7 | 0 | 0 | 112.2 | I325 Q326 E327 C333 | I325-Q329 VanDerWaalsContact O-CB 3.24Å; I325-Q329 WeakPolarHBondContact O-CB 3.21Å; I325-Q329 PolarHBondContact O-N 2.97Å; Q326-Q329 PolarHBondContact O-N 3.1Å; E327-Q329 VanDerWaalsContact C-N 3.31Å; E327-Q329 PolarHBondContact O-N 3.39Å; Q329-C333 WeakPolarHBondContact O-CB 3.27Å; Q329-C333 PolarHBondContact O-N 2.98Å; Q329-C333 PolarHBondContact O-SG 3.07Å |
| 330 | T | 92.5 | Very high | 94.1 | Very high | 76 Ų | 76 | 96.2 Ų | 96.2 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 112 | Q326 E327 C333 Q334 | Q326-T330 VanDerWaalsContact O-CG2 3.31Å; Q326-T330 WeakPolarHBondContact O-CG2 3.23Å; Q326-T330 PolarHBondContact O-N 3.05Å; Q326-T330 PolarHBondContact O-OG1 3.38Å; E327-T330 WeakPolarHBondContact CA-OG1 3.42Å; E327-T330 PolarHBondContact O-N 2.9Å; E327-T330 PolarHBondContact O-OG1 2.91Å; T330-C333 PolarHBondContact O-N 2.94Å; T330-Q334 WeakPolarHBondContact O-CG 3.33Å; T330-Q334 PolarHBondContact O-N 2.92Å |
| 331 | T | 94.2 | Very high | 94 | Very high | 65 Ų | 65 | 94.3 Ų | 94.3 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | E327 L328 C333 Q334 T335 | E327-T331 VanDerWaalsContact O-CG2 3.31Å; E327-T331 WeakPolarHBondContact O-CG2 3.33Å; E327-T331 PolarHBondContact O-N 3.37Å; E327-T331 PolarHBondContact O-OG1 3.39Å; L328-T331 WeakPolarHBondContact CA-OG1 3.48Å; L328-T331 PolarHBondContact O-N 3.28Å; L328-T331 PolarHBondContact O-OG1 2.67Å; T331-C333 VanDerWaalsContact C-N 3.34Å; T331-C333 PolarHBondContact O-N 3.41Å; T331-Q334 PolarHBondContact O-N 3.29Å; T331-T335 WeakPolarHBondContact O-CB 3.34Å; T331-T335 VanDerWaalsContact O-CG2 3.28Å; T331-T335 WeakPolarHBondContact O-CG2 3.32Å; T331-T335 PolarHBondContact O-N 2.79Å; T331-T335 PolarHBondContact O-OG1 3.28Å |
| 332 | I | 93.7 | Very high | 93.6 | Very high | 105 Ų | 105 | 92.1 Ų | 92.1 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 170.8 | -71.6 | 165.4 | 0 | 0 | 0 | 110.8 | L328 T335 K336 | L328-I332 WeakPolarHBondContact O-CB 3.47Å; L328-I332 WeakPolarHBondContact O-CD1 3.11Å; L328-I332 WeakPolarHBondContact O-CG1 3.47Å; L328-I332 PolarHBondContact O-N 2.94Å; I332-T335 WeakPolarHBondContact CA-OG1 3.4Å; I332-T335 PolarHBondContact O-OG1 3.36Å; I332-K336 WeakPolarHBondContact O-CB 3.49Å; I332-K336 PolarHBondContact O-N 2.78Å |
| 333 | C | 94 | Very high | 93.3 | Very high | 78 Ų | 78 | 91.7 Ų | 91.7 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 112.6 | Q329 T330 T331 K336 A337 | Q329-C333 WeakPolarHBondContact O-CB 3.27Å; Q329-C333 PolarHBondContact O-N 2.98Å; Q329-C333 PolarHBondContact O-SG 3.07Å; T330-C333 PolarHBondContact O-N 2.94Å; T331-C333 VanDerWaalsContact C-N 3.34Å; T331-C333 PolarHBondContact O-N 3.41Å; C333-K336 PolarHBondContact O-N 3.32Å; C333-A337 WeakPolarHBondContact O-CB 3.5Å; C333-A337 PolarHBondContact O-N 2.93Å |
| 334 | Q | 94 | Very high | 93.1 | Very high | 129 Ų | 129 | 93 Ų | 93 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 178.2 | -75.5 | 175.8 | -6.2 | 0 | 0 | 112.4 | T330 T331 A337 S338 | T330-Q334 WeakPolarHBondContact O-CG 3.33Å; T330-Q334 PolarHBondContact O-N 2.92Å; T331-Q334 PolarHBondContact O-N 3.29Å; Q334-A337 PolarHBondContact O-N 3.28Å; Q334-S338 WeakPolarHBondContact O-CB 3.28Å; Q334-S338 PolarHBondContact O-N 3.14Å; Q334-S338 PolarHBondContact O-OG 3.04Å |
| 335 | T | 92.7 | Very high | 92.7 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 176.6 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | T331 I332 S338 L339 | T331-T335 WeakPolarHBondContact O-CB 3.34Å; T331-T335 VanDerWaalsContact O-CG2 3.28Å; T331-T335 WeakPolarHBondContact O-CG2 3.32Å; T331-T335 PolarHBondContact O-N 2.79Å; T331-T335 PolarHBondContact O-OG1 3.28Å; I332-T335 WeakPolarHBondContact CA-OG1 3.4Å; I332-T335 PolarHBondContact O-OG1 3.36Å; T335-S338 PolarHBondContact O-N 3.04Å; T335-L339 WeakPolarHBondContact O-CB 3.47Å; T335-L339 PolarHBondContact O-N 2.89Å |
| 336 | K | 95.1 | Very high | 92.2 | Very high | 145 Ų | 145 | 98.1 Ų | 98.1 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 173.4 | -171.3 | 177.4 | -179.4 | -178.7 | 0 | 112.2 | I332 C333 S338 L339 E340 | I332-K336 WeakPolarHBondContact O-CB 3.49Å; I332-K336 PolarHBondContact O-N 2.78Å; C333-K336 PolarHBondContact O-N 3.32Å; K336-S338 VanDerWaalsContact C-N 3.35Å; K336-S338 PolarHBondContact O-N 2.86Å; K336-L339 PolarHBondContact O-N 2.92Å; K336-E340 WeakPolarHBondContact O-CB 3.38Å; K336-E340 PolarHBondContact O-N 3.1Å |
| 337 | A | 93.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 99.3 Ų | 99.3 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C333 Q334 E340 A341 | C333-A337 WeakPolarHBondContact O-CB 3.5Å; C333-A337 PolarHBondContact O-N 2.93Å; Q334-A337 PolarHBondContact O-N 3.28Å; A337-E340 PolarHBondContact O-N 3.39Å; A337-A341 WeakPolarHBondContact O-CB 3.27Å; A337-A341 PolarHBondContact O-N 2.95Å |
| 338 | S | 93.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 97 Ų | 97 | 56% | 0.559 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -37.6 | 175 | -58.4 | 0 | 0 | 0 | 0 | 112 | Q334 T335 K336 A342 | Q334-S338 WeakPolarHBondContact O-CB 3.28Å; Q334-S338 PolarHBondContact O-N 3.14Å; Q334-S338 PolarHBondContact O-OG 3.04Å; T335-S338 PolarHBondContact O-N 3.04Å; K336-S338 VanDerWaalsContact C-N 3.35Å; K336-S338 PolarHBondContact O-N 2.86Å; S338-A342 WeakPolarHBondContact O-CB 3.18Å; S338-A342 PolarHBondContact O-N 3.37Å |
| 339 | L | 90.8 | Very high | 91 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | 175 | -170.2 | 122 | 0 | 0 | 0 | 111.7 | T335 K336 A342 N343 | T335-L339 WeakPolarHBondContact O-CB 3.47Å; T335-L339 PolarHBondContact O-N 2.89Å; K336-L339 PolarHBondContact O-N 2.92Å; L339-A342 PolarHBondContact O-N 3.43Å; L339-N343 WeakPolarHBondContact O-CB 3.48Å; L339-N343 PolarHBondContact O-N 3.43Å; L339-N343 PolarHBondContact O-ND2 2.88Å |
| 340 | E | 93.6 | Very high | 90.5 | Very high | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174 | -169.9 | 171.2 | -173.5 | 0 | 0 | 111.6 | K336 A337 A342 N343 I344 | K336-E340 WeakPolarHBondContact O-CB 3.38Å; K336-E340 PolarHBondContact O-N 3.1Å; A337-E340 PolarHBondContact O-N 3.39Å; E340-A342 VanDerWaalsContact C-N 3.35Å; E340-A342 PolarHBondContact O-N 2.88Å; E340-N343 PolarHBondContact O-N 3.07Å; E340-I344 HydrophobicContact CG-CD1 4.33Å; E340-I344 WeakPolarHBondContact O-CG1 3.09Å; E340-I344 PolarHBondContact O-N 3.23Å |
| 341 | A | 92.2 | Very high | 90.1 | Very high | 49 Ų | 49 | 97.4 Ų | 97.4 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A337 K345 | A337-A341 WeakPolarHBondContact O-CB 3.27Å; A337-A341 PolarHBondContact O-N 2.95Å; A341-K345 WeakPolarHBondContact O-CG 3.34Å; A341-K345 PolarHBondContact O-N 3.39Å; A341-K345 VanDerWaalsContact O-N 3.07Å |
| 342 | A | 85.8 | Confident | 89.5 | Confident | 54 Ų | 54 | 101.4 Ų | 101.4 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.2 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S338 L339 E340 K345 L346 | S338-A342 WeakPolarHBondContact O-CB 3.18Å; S338-A342 PolarHBondContact O-N 3.37Å; L339-A342 PolarHBondContact O-N 3.43Å; E340-A342 VanDerWaalsContact C-N 3.35Å; E340-A342 PolarHBondContact O-N 2.88Å; A342-K345 PolarHBondContact O-N 3.02Å; A342-L346 WeakPolarHBondContact O-CB 3.12Å; A342-L346 PolarHBondContact O-N 3.47Å |
| 343 | N | 89.8 | Confident | 88.8 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.9 | -44.4 | 174.4 | -83.7 | -27.4 | 0 | 0 | 0 | 111.8 | L339 E340 K345 L346 D347 | L339-N343 WeakPolarHBondContact O-CB 3.48Å; L339-N343 PolarHBondContact O-N 3.43Å; L339-N343 PolarHBondContact O-ND2 2.88Å; E340-N343 PolarHBondContact O-N 3.07Å; N343-K345 VanDerWaalsContact C-N 3.3Å; N343-K345 PolarHBondContact O-N 2.98Å; N343-L346 WeakPolarHBondContact O-CB 3.31Å; N343-L346 PolarHBondContact O-N 3.09Å; N343-D347 WeakPolarHBondContact O-CB 3.23Å; N343-D347 PolarHBondContact O-N 2.87Å |
| 344 | I | 89.7 | Confident | 88.1 | Confident | 110 Ų | 110 | 103.2 Ų | 103.2 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -40.6 | 175.6 | -68 | 166.2 | 0 | 0 | 0 | 110.8 | E340 D347 S348 | E340-I344 HydrophobicContact CG-CD1 4.33Å; E340-I344 WeakPolarHBondContact O-CG1 3.09Å; E340-I344 PolarHBondContact O-N 3.23Å; I344-D347 PolarHBondContact O-N 2.84Å; I344-S348 WeakPolarHBondContact O-CB 3.31Å; I344-S348 PolarHBondContact O-N 3.48Å; I344-S348 PolarHBondContact O-OG 3.34Å |
| 345 | K | 88.5 | Confident | 87.5 | Confident | 142 Ų | 142 | 100.8 Ų | 100.8 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 174.5 | -77.6 | 176.9 | -179.4 | 177.7 | 0 | 111.9 | A341 A342 N343 D347 S348 Q349 | A341-K345 WeakPolarHBondContact O-CG 3.34Å; A341-K345 PolarHBondContact O-N 3.39Å; A341-K345 VanDerWaalsContact O-N 3.07Å; A342-K345 PolarHBondContact O-N 3.02Å; N343-K345 VanDerWaalsContact C-N 3.3Å; N343-K345 PolarHBondContact O-N 2.98Å; K345-D347 VanDerWaalsContact C-N 3.32Å; K345-D347 PolarHBondContact O-N 3.28Å; K345-S348 WeakPolarHBondContact CA-OG 3.34Å; K345-S348 PolarHBondContact O-N 2.89Å; K345-S348 PolarHBondContact O-OG 2.93Å; K345-Q349 VanDerWaalsContact O-CG 3.31Å; K345-Q349 WeakPolarHBondContact O-CG 3.23Å; K345-Q349 PolarHBondContact O-N 2.93Å; K345-Q349 VanDerWaalsContact O-N 3.11Å |
| 346 | L | 83.2 | Confident | 87 | Confident | 117 Ų | 117 | 101.3 Ų | 101.3 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 177.6 | -173.9 | 66.1 | 0 | 0 | 0 | 110.9 | A342 N343 Q349 S350 | A342-L346 WeakPolarHBondContact O-CB 3.12Å; A342-L346 PolarHBondContact O-N 3.47Å; N343-L346 WeakPolarHBondContact O-CB 3.31Å; N343-L346 PolarHBondContact O-N 3.09Å; L346-Q349 CarbonylContact O-C 3.56Å; L346-Q349 PolarHBondContact O-N 3.32Å; L346-Q349 VanDerWaalsContact O-N 3.13Å; L346-S350 PolarHBondContact O-N 3.28Å |
| 347 | D | 86.1 | Confident | 86 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -38.8 | 178.3 | -148 | 38.8 | 0 | 0 | 0 | 111.5 | N343 I344 K345 Q349 S350 | N343-D347 WeakPolarHBondContact O-CB 3.23Å; N343-D347 PolarHBondContact O-N 2.87Å; I344-D347 PolarHBondContact O-N 2.84Å; K345-D347 VanDerWaalsContact C-N 3.32Å; K345-D347 PolarHBondContact O-N 3.28Å; D347-Q349 PolarHBondContact O-N 2.92Å; D347-S350 VanDerWaalsContact O-CB 3.27Å; D347-S350 WeakPolarHBondContact O-CB 3.41Å; D347-S350 PolarHBondContact O-N 3.41Å; D347-S350 PolarHBondContact O-OG 3.02Å |
| 348 | S | 84.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 101 Ų | 101 | 58% | 0.58 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.3 | -15.2 | 172.7 | 75.2 | 0 | 0 | 0 | 0 | 114.5 | I344 K345 | I344-S348 WeakPolarHBondContact O-CB 3.31Å; I344-S348 PolarHBondContact O-N 3.48Å; I344-S348 PolarHBondContact O-OG 3.34Å; K345-S348 WeakPolarHBondContact CA-OG 3.34Å; K345-S348 PolarHBondContact O-N 2.89Å; K345-S348 PolarHBondContact O-OG 2.93Å |
| 349 | Q | 86.9 | Confident | 84.6 | Confident | 126 Ų | 126 | 102.2 Ų | 102.2 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 10.4 | 178.1 | -70.2 | -179.4 | -27 | 0 | 0 | 112.1 | K345 L346 D347 D351 Y352 | K345-Q349 VanDerWaalsContact O-CG 3.31Å; K345-Q349 WeakPolarHBondContact O-CG 3.23Å; K345-Q349 PolarHBondContact O-N 2.93Å; K345-Q349 VanDerWaalsContact O-N 3.11Å; L346-Q349 CarbonylContact O-C 3.56Å; L346-Q349 PolarHBondContact O-N 3.32Å; L346-Q349 VanDerWaalsContact O-N 3.13Å; D347-Q349 PolarHBondContact O-N 2.92Å; Q349-D351 PolarHBondContact O-N 3.32Å; Q349-Y352 WeakPolarHBondContact O-CB 3.45Å; Q349-Y352 PolarHBondContact O-N 3.23Å; Q349-Y352 VanDerWaalsContact O-N 3.11Å |
| 350 | S | 84.6 | Confident | 83.9 | Confident | 91 Ų | 91 | 99.4 Ų | 99.4 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.7 | -178 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | L346 D347 Y352 | L346-S350 PolarHBondContact O-N 3.28Å; D347-S350 VanDerWaalsContact O-CB 3.27Å; D347-S350 WeakPolarHBondContact O-CB 3.41Å; D347-S350 PolarHBondContact O-N 3.41Å; D347-S350 PolarHBondContact O-OG 3.02Å; S350-Y352 VanDerWaalsContact C-N 3.32Å |
| 351 | D | 84.5 | Confident | 82.8 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.4 | 176.2 | 65.6 | -16.6 | 0 | 0 | 0 | 113.8 | Q349 E353 E354 I355 | Q349-D351 PolarHBondContact O-N 3.32Å; D351-E353 VanDerWaalsContact C-N 3.3Å; D351-E353 PolarHBondContact O-N 3.19Å; D351-E354 PolarHBondContact O-N 3.2Å; D351-I355 HydrophobicContact CB-CD1 4.45Å; D351-I355 WeakPolarHBondContact O-CG1 3.48Å; D351-I355 PolarHBondContact O-N 2.87Å |
| 352 | Y | 81.7 | Confident | 81.4 | Confident | 149 Ų | 149 | 99.9 Ų | 99.9 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.5 | -40.4 | -177.4 | -178.2 | -97.8 | 0 | 0 | 0 | 112.6 | Q349 S350 K356 | Q349-Y352 WeakPolarHBondContact O-CB 3.45Å; Q349-Y352 PolarHBondContact O-N 3.23Å; Q349-Y352 VanDerWaalsContact O-N 3.11Å; S350-Y352 VanDerWaalsContact C-N 3.32Å; Y352-K356 HydrophobicContact CE1-CD 4.07Å; Y352-K356 WeakPolarHBondContact O-CB 3.47Å; Y352-K356 PolarHBondContact O-N 3.46Å |
| 353 | E | 79.7 | Confident | 80.8 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.4 | -30.5 | 177.9 | -78.6 | -61.6 | 147.4 | 0 | 0 | 112.5 | D351 K356 R357 | D351-E353 VanDerWaalsContact C-N 3.3Å; D351-E353 PolarHBondContact O-N 3.19Å; E353-K356 IonicContact OE1-NZ 2.96Å; E353-K356 PolarHBondContact OE1-NZ 3.38Å; E353-K356 IonicContact OE2-NZ 3.36Å; E353-R357 WeakPolarHBondContact O-CB 3.49Å; E353-R357 PolarHBondContact O-N 2.9Å |
| 354 | E | 79.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71 | -45.7 | 173.6 | -173.5 | 144.6 | -139.3 | 0 | 0 | 111.1 | D351 K356 R357 E358 | D351-E354 PolarHBondContact O-N 3.2Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.45Å; E354-R357 WeakPolarHBondContact O-CB 3.46Å; E354-R357 PolarHBondContact O-N 3.27Å; E354-E358 WeakPolarHBondContact O-CG 3.41Å; E354-E358 PolarHBondContact O-N 3.45Å |
| 355 | I | 80.8 | Confident | 78.1 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 173.9 | -66.2 | 168.1 | 0 | 0 | 0 | 110.6 | D351 R357 E358 L359 | D351-I355 HydrophobicContact CB-CD1 4.45Å; D351-I355 WeakPolarHBondContact O-CG1 3.48Å; D351-I355 PolarHBondContact O-N 2.87Å; I355-R357 VanDerWaalsContact C-N 3.34Å; I355-R357 PolarHBondContact O-N 3Å; I355-E358 PolarHBondContact O-N 2.84Å; I355-L359 HydrophobicContact CG2-CD1 3.76Å; I355-L359 HydrophobicContact CG2-CG 4.23Å; I355-L359 VanDerWaalsContact O-CB 3.26Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 WeakPolarHBondContact O-CG 3.49Å; I355-L359 PolarHBondContact O-N 3.22Å |
| 356 | K | 81.6 | Confident | 76.9 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 177 | -179.2 | 179.2 | 167.7 | -164.9 | 0 | 111.9 | Y352 E353 E354 S360 | Y352-K356 HydrophobicContact CE1-CD 4.07Å; Y352-K356 WeakPolarHBondContact O-CB 3.47Å; Y352-K356 PolarHBondContact O-N 3.46Å; E353-K356 IonicContact OE1-NZ 2.96Å; E353-K356 PolarHBondContact OE1-NZ 3.38Å; E353-K356 IonicContact OE2-NZ 3.36Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.45Å; K356-S360 WeakPolarHBondContact O-CB 3.36Å; K356-S360 PolarHBondContact O-N 3.36Å |
| 357 | R | 75.2 | Confident | 75.1 | Confident | 88 Ų | 88 | 102.4 Ų | 102.4 | 33% | 0.332 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 173.2 | 164.7 | 176.1 | 133.6 | 54.9 | 16.3 | 111.3 | E353 E354 I355 S360 L361 R387 | E353-R357 WeakPolarHBondContact O-CB 3.49Å; E353-R357 PolarHBondContact O-N 2.9Å; E354-R357 WeakPolarHBondContact O-CB 3.46Å; E354-R357 PolarHBondContact O-N 3.27Å; I355-R357 VanDerWaalsContact C-N 3.34Å; I355-R357 PolarHBondContact O-N 3Å; R357-S360 PolarHBondContact O-N 2.91Å; R357-L361 WeakPolarHBondContact O-CB 3.28Å; R357-L361 PolarHBondContact O-N 3.27Å; R357-R387 VanDerWaalsContact CD-CZ 3.43Å; R357-R387 VanDerWaalsContact CG-CZ 3.44Å |
| 358 | E | 80.2 | Confident | 73.4 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.8 | -72.7 | -172.7 | 168.5 | 0 | 0 | 111.4 | E354 I355 S360 L361 L362 | E354-E358 WeakPolarHBondContact O-CG 3.41Å; E354-E358 PolarHBondContact O-N 3.45Å; I355-E358 PolarHBondContact O-N 2.84Å; E358-S360 PolarHBondContact O-N 3.45Å; E358-L361 WeakPolarHBondContact O-CB 3.48Å; E358-L361 PolarHBondContact O-N 2.95Å; E358-L362 WeakPolarHBondContact O-CB 3.36Å; E358-L362 PolarHBondContact O-N 2.91Å |
| 359 | L | 76.8 | Confident | 71.5 | Confident | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 173.7 | -73 | 173.8 | 0 | 0 | 0 | 112.3 | I355 R363 | I355-L359 HydrophobicContact CG2-CD1 3.76Å; I355-L359 HydrophobicContact CG2-CG 4.23Å; I355-L359 VanDerWaalsContact O-CB 3.26Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 WeakPolarHBondContact O-CG 3.49Å; I355-L359 PolarHBondContact O-N 3.22Å; L359-R363 WeakPolarHBondContact O-CB 3.45Å; L359-R363 PolarHBondContact O-N 2.88Å |
| 360 | S | 75.7 | Confident | 69.2 | Low | 54 Ų | 54 | 102.6 Ų | 102.6 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | K356 R357 E358 R363 S364 | K356-S360 WeakPolarHBondContact O-CB 3.36Å; K356-S360 PolarHBondContact O-N 3.36Å; R357-S360 PolarHBondContact O-N 2.91Å; E358-S360 PolarHBondContact O-N 3.45Å; S360-R363 PolarHBondContact O-N 2.71Å; S360-S364 WeakPolarHBondContact O-CB 3.37Å; S360-S364 PolarHBondContact O-N 3.37Å; S360-S364 PolarHBondContact O-OG 3.45Å |
| 361 | L | 71.6 | Confident | 67.2 | Low | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 172.6 | -156.8 | 95.2 | 0 | 0 | 0 | 110.5 | R357 E358 R363 S364 I365 | R357-L361 WeakPolarHBondContact O-CB 3.28Å; R357-L361 PolarHBondContact O-N 3.27Å; E358-L361 WeakPolarHBondContact O-CB 3.48Å; E358-L361 PolarHBondContact O-N 2.95Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.9Å; L361-S364 WeakPolarHBondContact CA-OG 3.46Å; L361-S364 PolarHBondContact O-N 3.1Å; L361-S364 VanDerWaalsContact O-N 3.12Å; L361-S364 PolarHBondContact O-OG 3.04Å; L361-I365 HydrophobicContact CD2-CD1 3.93Å; L361-I365 HydrophobicContact CG-CD1 4.02Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 VanDerWaalsContact O-CG1 3.25Å; L361-I365 WeakPolarHBondContact O-CG1 3.49Å; L361-I365 PolarHBondContact O-N 3.28Å |
| 362 | L | 63.3 | Low | 64.8 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 174 | -105.5 | 68 | 0 | 0 | 0 | 110.8 | E358 S364 I365 E366 | E358-L362 WeakPolarHBondContact O-CB 3.36Å; E358-L362 PolarHBondContact O-N 2.91Å; L362-S364 VanDerWaalsContact C-N 3.28Å; L362-S364 PolarHBondContact O-N 2.86Å; L362-I365 PolarHBondContact O-N 2.92Å; L362-I365 VanDerWaalsContact O-N 3.1Å; L362-E366 VanDerWaalsContact O-CB 3.29Å; L362-E366 WeakPolarHBondContact O-CB 3.32Å; L362-E366 PolarHBondContact O-N 3.46Å |
| 363 | R | 72 | Confident | 62.7 | Low | 147 Ų | 147 | 103.6 Ų | 103.6 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.3 | -39 | 176.5 | -167.2 | -177.9 | 80 | 180 | 6.7 | 111.8 | L359 S360 L361 I365 F367 | L359-R363 WeakPolarHBondContact O-CB 3.45Å; L359-R363 PolarHBondContact O-N 2.88Å; S360-R363 PolarHBondContact O-N 2.71Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.9Å; R363-I365 VanDerWaalsContact C-N 3.34Å; R363-F367 HydrophobicContact CG-CD2 4.48Å; R363-F367 CarbonylContact O-C 3.51Å; R363-F367 WeakPolarHBondContact O-CA 3.4Å; R363-F367 WeakPolarHBondContact O-CB 3.42Å; R363-F367 PolarHBondContact O-N 3.27Å |
| 364 | S | 64.4 | Low | 60.6 | Low | 59 Ų | 59 | 104.9 Ų | 104.9 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.3 | -24.7 | 177.4 | 72.1 | 0 | 0 | 0 | 0 | 113.9 | S360 L361 L362 | S360-S364 WeakPolarHBondContact O-CB 3.37Å; S360-S364 PolarHBondContact O-N 3.37Å; S360-S364 PolarHBondContact O-OG 3.45Å; L361-S364 WeakPolarHBondContact CA-OG 3.46Å; L361-S364 PolarHBondContact O-N 3.1Å; L361-S364 VanDerWaalsContact O-N 3.12Å; L361-S364 PolarHBondContact O-OG 3.04Å; L362-S364 VanDerWaalsContact C-N 3.28Å; L362-S364 PolarHBondContact O-N 2.86Å |
| 365 | I | 57.8 | Low | 58.4 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -84.5 | -44 | 177.5 | -69.8 | 165.4 | 0 | 0 | 0 | 110.7 | L361 L362 R363 | L361-I365 HydrophobicContact CD2-CD1 3.93Å; L361-I365 HydrophobicContact CG-CD1 4.02Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 VanDerWaalsContact O-CG1 3.25Å; L361-I365 WeakPolarHBondContact O-CG1 3.49Å; L361-I365 PolarHBondContact O-N 3.28Å; L362-I365 PolarHBondContact O-N 2.92Å; L362-I365 VanDerWaalsContact O-N 3.1Å; R363-I365 VanDerWaalsContact C-N 3.34Å |
| 366 | E | 63.8 | Low | 56.1 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -83.2 | -27.7 | -176.3 | -159.5 | 169.6 | -159.7 | 0 | 0 | 112 | L362 | L362-E366 VanDerWaalsContact O-CB 3.29Å; L362-E366 WeakPolarHBondContact O-CB 3.32Å; L362-E366 PolarHBondContact O-N 3.46Å |
| 367 | F | 44.9 | Very low | 53.8 | Low | 100 Ų | 100 | 107.1 Ų | 107.1 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | trans | -133.2 | 76.3 | 179.1 | -55.9 | -83.2 | 0 | 0 | 0 | 111.9 | R363 E369 N370 | R363-F367 HydrophobicContact CG-CD2 4.48Å; R363-F367 CarbonylContact O-C 3.51Å; R363-F367 WeakPolarHBondContact O-CA 3.4Å; R363-F367 WeakPolarHBondContact O-CB 3.42Å; R363-F367 PolarHBondContact O-N 3.27Å; F367-E369 PolarHBondContact O-N 2.9Å; F367-E369 VanDerWaalsContact O-N 3.11Å; F367-N370 HydrophobicContact CB-CB 4.12Å; F367-N370 PolarHBondContact O-N 3.31Å | ||
| 368 | P | 51 | Low | 51.8 | Low | 107 Ų | 107 | 109.1 Ų | 109.1 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -15.7 | 175.9 | 25.2 | -32.6 | 0 | 0 | 0 | 113.2 | ||
| 369 | E | 45.2 | Very low | 49.6 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -7.1 | -176 | -142.6 | 169.6 | -174 | 0 | 0 | 114.4 | K182 F367 | K182-E369 IonicContact NZ-OE1 3.39Å; K182-E369 PolarHBondContact NZ-OE1 3.44Å; F367-E369 PolarHBondContact O-N 2.9Å; F367-E369 VanDerWaalsContact O-N 3.11Å |
| 370 | N | 38.6 | Very low | 47.6 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | trans | -102.9 | 21.7 | -172.2 | -65.1 | 9.7 | 0 | 0 | 0 | 113.9 | F367 Q372 | F367-N370 HydrophobicContact CB-CB 4.12Å; F367-N370 PolarHBondContact O-N 3.31Å; N370-Q372 PolarHBondContact O-N 2.78Å; N370-Q372 VanDerWaalsContact O-N 3.07Å | ||
| 371 | V | 41.9 | Very low | 45.6 | Very low | 99 Ų | 99 | 120 Ų | 120 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | trans | -86 | 68.2 | 172.7 | -171 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 372 | Q | 34.2 | Very low | 44 | Very low | 136 Ų | 136 | 123 Ų | 123 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -177.5 | 94.9 | 159.8 | -93 | 139.5 | 69.1 | 0 | 0 | 106.6 | N370 | N370-Q372 PolarHBondContact O-N 2.78Å; N370-Q372 VanDerWaalsContact O-N 3.07Å | ||
| 373 | L | 37.3 | Very low | 42.8 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 58% | 0.581 | 66% | 0.657 | S | S | * | * | trans | -177.9 | 124.9 | 133.4 | -117.3 | 82.7 | 0 | 0 | 0 | 108.9 | E189 | E189-L373 HydrophobicContact CG-CD1 4.35Å; E189-L373 VanDerWaalsContact OE1-CD1 3.29Å; E189-L373 WeakPolarHBondContact OE1-CD1 3.24Å; E189-L373 VanDerWaalsContact OE2-CD1 3.27Å; E189-L373 WeakPolarHBondContact OE2-CD1 3.49Å | ||
| 374 | N | 37.3 | Very low | 41.3 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | trans | 71.6 | 108.1 | 144.6 | -61.2 | -6.9 | 0 | 0 | 0 | 119.9 | ||||
| 375 | G | 32.1 | Very low | 40.3 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | 110.8 | 98.7 | 112.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 376 | S | 33.8 | Very low | 39.7 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | trans | 48 | 100.5 | 135.1 | 55.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 377 | D | 33.3 | Very low | 38.8 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | -161.1 | 142 | 113.4 | -130.4 | -22.6 | 0 | 0 | 0 | 113.3 | F379 | D377-F379 PolarHBondContact O-N 3.21Š| |||
| 378 | N | 33.2 | Very low | 39.2 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -65.3 | 120.7 | 177.3 | -77.2 | -47.8 | 0 | 0 | 0 | 111.1 | ||||
| 379 | F | 32.5 | Very low | 39.4 | Very low | 210 Ų | 210 | 123.4 Ų | 123.4 | 92% | 0.921 | 67% | 0.667 | S | S | * | * | trans | -152.5 | 93.5 | 141.3 | -100.5 | -78.2 | 0 | 0 | 0 | 107.7 | D377 | D377-F379 PolarHBondContact O-N 3.21Š| ||
| 380 | I | 35 | Very low | 39.9 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 70% | 0.703 | 67% | 0.67 | S | S | * | * | trans | -81.9 | 145.4 | 165.6 | -62.3 | -177.7 | 0 | 0 | 0 | 106.5 | ||||
| 381 | Q | 34.8 | Very low | 41.1 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 93.7 | 85.7 | 163 | -134.5 | 87 | 32.9 | 0 | 0 | 115.2 | ||
| 382 | D | 37.2 | Very low | 42.3 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | S | Bend | 159 | 12.5 | 128.9 | -80 | -11 | 0 | 0 | 0 | 117.7 | |||
| 383 | E | 38 | Very low | 44.2 | Very low | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | trans | -109.6 | 53.5 | 168.2 | -89.1 | -74.7 | 154.1 | 0 | 0 | 112.4 | S385 | E383-S385 VanDerWaalsContact C-N 3.28Š| ||
| 384 | I | 40.4 | Very low | 45.9 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | trans | -77.5 | -13.3 | 169.6 | -70.7 | 174.5 | 0 | 0 | 0 | 111.7 | ||||
| 385 | S | 44.6 | Very low | 47.6 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -96.2 | -18.4 | -161.9 | -68.7 | 0 | 0 | 0 | 0 | 117.2 | E383 | E383-S385 VanDerWaalsContact C-N 3.28Š|
| 386 | N | 44.7 | Very low | 49.8 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -139.5 | -0.6 | -174.4 | -76.4 | -45.5 | 0 | 0 | 0 | 118.1 | ||
| 387 | R | 44.3 | Very low | 52.1 | Low | 120 Ų | 120 | 124.9 Ų | 124.9 | 45% | 0.453 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -88.2 | 123.2 | 159.6 | -62 | -153.9 | -167.6 | -161.4 | 19.6 | 107.7 | R357 P389 | R357-R387 VanDerWaalsContact CD-CZ 3.43Å; R357-R387 VanDerWaalsContact CG-CZ 3.44Å; R387-P389 WeakPolarHBondContact O-CA 3.39Å |
| 388 | A | 54 | Low | 54.5 | Low | 56 Ų | 56 | 121.5 Ų | 121.5 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | trans | -40.2 | 116.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107 | L390 V392 | A388-L390 PolarHBondContact O-N 2.93Å; A388-V392 HydrophobicContact CB-CB 4.43Å; A388-V392 HydrophobicContact CB-CG1 4.31Å | ||
| 389 | P | 54.5 | Low | 57 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | trans | -52.4 | 145 | -157.8 | 9.2 | -23.1 | 0 | 0 | 0 | 108.3 | R387 E391 V392 L393 | R387-P389 WeakPolarHBondContact O-CA 3.39Å; P389-E391 HydrophobicContact CB-CB 4.21Å; P389-E391 CarbonylContact O-C 3.13Å; P389-E391 PolarHBondContact O-N 3.24Å; P389-V392 HydrophobicContact CG-CB 4.43Å; P389-V392 HydrophobicContact CG-CG2 3.79Å; P389-V392 WeakPolarHBondContact O-CA 3.43Å; P389-V392 WeakPolarHBondContact O-CB 3.48Å; P389-V392 PolarHBondContact O-N 3.41Å; P389-L393 PolarHBondContact O-N 2.94Å | ||
| 390 | L | 56.5 | Low | 59.7 | Low | 134 Ų | 134 | 113.4 Ų | 113.4 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -41.5 | -34.8 | 174.1 | 173.8 | 62.2 | 0 | 0 | 0 | 111.1 | A388 L393 L394 | A388-L390 PolarHBondContact O-N 2.93Å; L390-L393 PolarHBondContact O-N 2.83Å; L390-L394 HydrophobicContact CD1-CD1 4.25Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 VanDerWaalsContact O-CB 3.3Å; L390-L394 WeakPolarHBondContact O-CB 3.5Å; L390-L394 PolarHBondContact O-N 2.87Å |
| 391 | E | 62.6 | Low | 62.1 | Low | 147 Ų | 147 | 111.2 Ų | 111.2 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -55.3 | -44.6 | 170 | -148.9 | 170.5 | -148.6 | 0 | 0 | 114.9 | P389 L395 | P389-E391 HydrophobicContact CB-CB 4.21Å; P389-E391 CarbonylContact O-C 3.13Å; P389-E391 PolarHBondContact O-N 3.24Å; E391-L395 WeakPolarHBondContact O-CA 3.45Å; E391-L395 WeakPolarHBondContact O-CB 3.46Å; E391-L395 PolarHBondContact O-N 3.38Å |
| 392 | V | 68.9 | Low | 64.6 | Low | 56 Ų | 56 | 109.4 Ų | 109.4 | 34% | 0.339 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | A388 P389 L395 K396 | A388-V392 HydrophobicContact CB-CB 4.43Å; A388-V392 HydrophobicContact CB-CG1 4.31Å; P389-V392 HydrophobicContact CG-CB 4.43Å; P389-V392 HydrophobicContact CG-CG2 3.79Å; P389-V392 WeakPolarHBondContact O-CA 3.43Å; P389-V392 WeakPolarHBondContact O-CB 3.48Å; P389-V392 PolarHBondContact O-N 3.41Å; V392-L395 PolarHBondContact O-N 3.36Å; V392-K396 HydrophobicContact CG1-CD 4.38Å; V392-K396 WeakPolarHBondContact O-CB 3.48Å; V392-K396 VanDerWaalsContact O-CG 3.28Å; V392-K396 WeakPolarHBondContact O-CG 3.35Å; V392-K396 PolarHBondContact O-N 2.86Å |
| 393 | L | 72.1 | Confident | 67 | Low | 101 Ų | 101 | 108.1 Ų | 108.1 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.8 | -42.3 | 175.5 | -73.9 | 174 | 0 | 0 | 0 | 111.3 | P389 L390 K396 K397 | P389-L393 PolarHBondContact O-N 2.94Å; L390-L393 PolarHBondContact O-N 2.83Å; L393-K396 PolarHBondContact O-N 2.92Å; L393-K397 WeakPolarHBondContact O-CB 3.42Å; L393-K397 WeakPolarHBondContact O-CG 3.46Å; L393-K397 PolarHBondContact O-N 2.63Å |
| 394 | L | 73 | Confident | 69.6 | Low | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 171.3 | -98.4 | 159.5 | 0 | 0 | 0 | 111 | L390 K396 K397 N398 | L390-L394 HydrophobicContact CD1-CD1 4.25Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 VanDerWaalsContact O-CB 3.3Å; L390-L394 WeakPolarHBondContact O-CB 3.5Å; L390-L394 PolarHBondContact O-N 2.87Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.5Å; L394-K397 PolarHBondContact O-N 3.04Å; L394-N398 WeakPolarHBondContact O-CB 3.38Å; L394-N398 PolarHBondContact O-N 3.34Å |
| 395 | L | 73.9 | Confident | 71.9 | Confident | 95 Ų | 95 | 104.4 Ų | 104.4 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.2 | -150.4 | 93.1 | 0 | 0 | 0 | 110.9 | E391 V392 K399 | E391-L395 WeakPolarHBondContact O-CA 3.45Å; E391-L395 WeakPolarHBondContact O-CB 3.46Å; E391-L395 PolarHBondContact O-N 3.38Å; V392-L395 PolarHBondContact O-N 3.36Å; L395-K399 VanDerWaalsContact O-CB 3.23Å; L395-K399 WeakPolarHBondContact O-CB 3.26Å; L395-K399 VanDerWaalsContact O-CG 3.23Å; L395-K399 WeakPolarHBondContact O-CG 3.49Å; L395-K399 PolarHBondContact O-N 3.08Å |
| 396 | K | 78.5 | Confident | 74.1 | Confident | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 174.2 | -79.5 | 179 | -179.4 | -178.2 | 0 | 111.5 | V392 L393 L394 S400 | V392-K396 HydrophobicContact CG1-CD 4.38Å; V392-K396 WeakPolarHBondContact O-CB 3.48Å; V392-K396 VanDerWaalsContact O-CG 3.28Å; V392-K396 WeakPolarHBondContact O-CG 3.35Å; V392-K396 PolarHBondContact O-N 2.86Å; L393-K396 PolarHBondContact O-N 2.92Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.5Å; K396-S400 VanDerWaalsContact O-CB 3.25Å; K396-S400 WeakPolarHBondContact O-CB 3.45Å; K396-S400 PolarHBondContact O-N 2.87Å |
| 397 | K | 82.7 | Confident | 76.4 | Confident | 149 Ų | 149 | 101 Ų | 101 | 65% | 0.648 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 175.9 | -83.3 | -87.9 | -175.6 | 164.1 | 0 | 111.5 | L393 L394 S400 L401 | L393-K397 WeakPolarHBondContact O-CB 3.42Å; L393-K397 WeakPolarHBondContact O-CG 3.46Å; L393-K397 PolarHBondContact O-N 2.63Å; L394-K397 PolarHBondContact O-N 3.04Å; K397-S400 CarbonylContact O-C 3.6Å; K397-S400 WeakPolarHBondContact O-CB 3.35Å; K397-S400 PolarHBondContact O-N 2.89Å; K397-L401 WeakPolarHBondContact O-CB 3.48Å; K397-L401 WeakPolarHBondContact O-CG 3.29Å; K397-L401 PolarHBondContact O-N 3.37Å |
| 398 | N | 82.4 | Confident | 78.6 | Confident | 87 Ų | 87 | 99.7 Ų | 99.7 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 179.6 | -154 | 11.4 | 0 | 0 | 0 | 110.3 | L394 S400 L401 E402 | L394-N398 WeakPolarHBondContact O-CB 3.38Å; L394-N398 PolarHBondContact O-N 3.34Å; N398-S400 VanDerWaalsContact C-N 3.3Å; N398-S400 PolarHBondContact O-N 3.37Å; N398-L401 PolarHBondContact O-N 3.25Å; N398-E402 VanDerWaalsContact O-CB 3.29Å; N398-E402 WeakPolarHBondContact O-CB 3.46Å; N398-E402 VanDerWaalsContact O-CG 3.26Å; N398-E402 WeakPolarHBondContact O-CG 3.37Å; N398-E402 PolarHBondContact O-N 2.96Å |
| 399 | K | 85.4 | Confident | 80.5 | Confident | 117 Ų | 117 | 99.9 Ų | 99.9 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 170.1 | -76.6 | -178.3 | 179.6 | -177 | 0 | 112.8 | L395 N403 | L395-K399 VanDerWaalsContact O-CB 3.23Å; L395-K399 WeakPolarHBondContact O-CB 3.26Å; L395-K399 VanDerWaalsContact O-CG 3.23Å; L395-K399 WeakPolarHBondContact O-CG 3.49Å; L395-K399 PolarHBondContact O-N 3.08Å; K399-N403 VanDerWaalsContact O-CB 3.27Å; K399-N403 WeakPolarHBondContact O-CB 3.49Å; K399-N403 PolarHBondContact O-N 3.35Å; K399-N403 PolarHBondContact O-ND2 3.37Å |
| 400 | S | 89.4 | Confident | 82.4 | Confident | 54 Ų | 54 | 101.7 Ų | 101.7 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.2 | -172 | 0 | 0 | 0 | 0 | 111.6 | K396 K397 N398 N403 Q404 | K396-S400 VanDerWaalsContact O-CB 3.25Å; K396-S400 WeakPolarHBondContact O-CB 3.45Å; K396-S400 PolarHBondContact O-N 2.87Å; K397-S400 CarbonylContact O-C 3.6Å; K397-S400 WeakPolarHBondContact O-CB 3.35Å; K397-S400 PolarHBondContact O-N 2.89Å; N398-S400 VanDerWaalsContact C-N 3.3Å; N398-S400 PolarHBondContact O-N 3.37Å; S400-N403 PolarHBondContact O-N 3.27Å; S400-Q404 WeakPolarHBondContact O-CB 3.33Å; S400-Q404 VanDerWaalsContact O-CG 3.29Å; S400-Q404 WeakPolarHBondContact O-CG 3.28Å; S400-Q404 PolarHBondContact O-N 2.84Å |
| 401 | L | 86.4 | Confident | 84.2 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 176.9 | -76.6 | 171.1 | 0 | 0 | 0 | 111.4 | K397 N398 Q404 L405 | K397-L401 WeakPolarHBondContact O-CB 3.48Å; K397-L401 WeakPolarHBondContact O-CG 3.29Å; K397-L401 PolarHBondContact O-N 3.37Å; N398-L401 PolarHBondContact O-N 3.25Å; L401-Q404 PolarHBondContact O-N 3.47Å; L401-L405 VanDerWaalsContact O-CB 3.26Å; L401-L405 WeakPolarHBondContact O-CB 3.32Å; L401-L405 PolarHBondContact O-N 2.94Å |
| 402 | E | 88 | Confident | 85.7 | Confident | 109 Ų | 109 | 100.1 Ų | 100.1 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 171.8 | -77.1 | 173.1 | 179.3 | 0 | 0 | 111 | N398 L405 A406 | N398-E402 VanDerWaalsContact O-CB 3.29Å; N398-E402 WeakPolarHBondContact O-CB 3.46Å; N398-E402 VanDerWaalsContact O-CG 3.26Å; N398-E402 WeakPolarHBondContact O-CG 3.37Å; N398-E402 PolarHBondContact O-N 2.96Å; E402-L405 PolarHBondContact O-N 3.31Å; E402-A406 WeakPolarHBondContact O-CB 3.42Å; E402-A406 PolarHBondContact O-N 2.91Å |
| 403 | N | 87.1 | Confident | 86.9 | Confident | 112 Ų | 112 | 103.4 Ų | 103.4 | 60% | 0.599 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 175.2 | -75.5 | -13.3 | 0 | 0 | 0 | 111.8 | K399 S400 A406 E407 | K399-N403 VanDerWaalsContact O-CB 3.27Å; K399-N403 WeakPolarHBondContact O-CB 3.49Å; K399-N403 PolarHBondContact O-N 3.35Å; K399-N403 PolarHBondContact O-ND2 3.37Å; S400-N403 PolarHBondContact O-N 3.27Å; N403-A406 PolarHBondContact O-N 2.91Å; N403-E407 WeakPolarHBondContact O-CB 3.34Å; N403-E407 PolarHBondContact O-N 3.38Å |
| 404 | Q | 91.8 | Very high | 87.9 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.7 | -76.4 | 176.1 | -13.5 | 0 | 0 | 111.7 | S400 L401 A406 E407 V408 | S400-Q404 WeakPolarHBondContact O-CB 3.33Å; S400-Q404 VanDerWaalsContact O-CG 3.29Å; S400-Q404 WeakPolarHBondContact O-CG 3.28Å; S400-Q404 PolarHBondContact O-N 2.84Å; L401-Q404 PolarHBondContact O-N 3.47Å; Q404-A406 VanDerWaalsContact C-N 3.35Å; Q404-E407 PolarHBondContact O-N 3.26Å; Q404-V408 WeakPolarHBondContact O-CB 3.46Å; Q404-V408 VanDerWaalsContact O-CG2 3.25Å; Q404-V408 WeakPolarHBondContact O-CG2 3.35Å; Q404-V408 PolarHBondContact O-N 2.87Å |
| 405 | L | 89.8 | Confident | 88.9 | Confident | 108 Ų | 108 | 104.8 Ų | 104.8 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 173.1 | -98 | 162.3 | 0 | 0 | 0 | 111.1 | L401 E402 N409 | L401-L405 VanDerWaalsContact O-CB 3.26Å; L401-L405 WeakPolarHBondContact O-CB 3.32Å; L401-L405 PolarHBondContact O-N 2.94Å; E402-L405 PolarHBondContact O-N 3.31Å; L405-N409 WeakPolarHBondContact O-CB 3.35Å; L405-N409 PolarHBondContact O-N 2.86Å; L405-N409 PolarHBondContact O-ND2 3.43Å |
| 406 | A | 89.3 | Confident | 89.9 | Confident | 47 Ų | 47 | 105.4 Ų | 105.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | E402 N403 Q404 N409 I410 | E402-A406 WeakPolarHBondContact O-CB 3.42Å; E402-A406 PolarHBondContact O-N 2.91Å; N403-A406 PolarHBondContact O-N 2.91Å; Q404-A406 VanDerWaalsContact C-N 3.35Å; A406-N409 PolarHBondContact O-N 2.88Å; A406-I410 WeakPolarHBondContact O-CB 3.46Å; A406-I410 WeakPolarHBondContact O-CD1 3.41Å; A406-I410 WeakPolarHBondContact O-CG1 3.32Å; A406-I410 PolarHBondContact O-N 2.86Å |
| 407 | E | 93.6 | Very high | 90.6 | Very high | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 177.7 | -172.9 | 174.1 | -170.7 | 0 | 0 | 112 | N403 Q404 N409 I410 L411 | N403-E407 WeakPolarHBondContact O-CB 3.34Å; N403-E407 PolarHBondContact O-N 3.38Å; Q404-E407 PolarHBondContact O-N 3.26Å; E407-N409 VanDerWaalsContact C-N 3.34Å; E407-N409 PolarHBondContact O-N 2.89Å; E407-I410 PolarHBondContact O-N 3.37Å; E407-L411 HydrophobicContact CG-CD1 4.3Å; E407-L411 WeakPolarHBondContact O-CB 3.18Å; E407-L411 VanDerWaalsContact O-CG 3.32Å; E407-L411 WeakPolarHBondContact O-CG 3.44Å; E407-L411 PolarHBondContact O-N 3.36Å |
| 408 | V | 91.2 | Very high | 91.2 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | Q404 L411 R412 | Q404-V408 WeakPolarHBondContact O-CB 3.46Å; Q404-V408 VanDerWaalsContact O-CG2 3.25Å; Q404-V408 WeakPolarHBondContact O-CG2 3.35Å; Q404-V408 PolarHBondContact O-N 2.87Å; V408-L411 PolarHBondContact O-N 2.72Å; V408-R412 VanDerWaalsContact O-CB 3.3Å; V408-R412 WeakPolarHBondContact O-CB 3.36Å; V408-R412 PolarHBondContact O-N 3.1Å |
| 409 | N | 94.3 | Very high | 91.7 | Very high | 59 Ų | 59 | 101.2 Ų | 101.2 | 32% | 0.316 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.3 | -78.8 | -42.7 | 0 | 0 | 0 | 112 | L405 A406 E407 R412 E413 | L405-N409 WeakPolarHBondContact O-CB 3.35Å; L405-N409 PolarHBondContact O-N 2.86Å; L405-N409 PolarHBondContact O-ND2 3.43Å; A406-N409 PolarHBondContact O-N 2.88Å; E407-N409 VanDerWaalsContact C-N 3.34Å; E407-N409 PolarHBondContact O-N 2.89Å; N409-R412 PolarHBondContact O-N 3.17Å; N409-R412 PolarHBondContact OD1-NH1 2.88Å; N409-R412 PolarHBondContact OD1-NH2 2.92Å; N409-E413 WeakPolarHBondContact O-CB 3.5Å; N409-E413 PolarHBondContact O-N 2.89Å |
| 410 | I | 93.7 | Very high | 92.1 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 56% | 0.559 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 174.5 | -70 | 162.6 | 0 | 0 | 0 | 110.4 | A406 E407 E413 K414 | A406-I410 WeakPolarHBondContact O-CB 3.46Å; A406-I410 WeakPolarHBondContact O-CD1 3.41Å; A406-I410 WeakPolarHBondContact O-CG1 3.32Å; A406-I410 PolarHBondContact O-N 2.86Å; E407-I410 PolarHBondContact O-N 3.37Å; I410-E413 PolarHBondContact O-N 3.08Å; I410-K414 WeakPolarHBondContact O-CB 3.47Å; I410-K414 PolarHBondContact O-N 3.27Å |
| 411 | L | 94.8 | Very high | 92.3 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.7 | -72.9 | 171.8 | 0 | 0 | 0 | 111.9 | E407 V408 K414 L415 | E407-L411 HydrophobicContact CG-CD1 4.3Å; E407-L411 WeakPolarHBondContact O-CB 3.18Å; E407-L411 VanDerWaalsContact O-CG 3.32Å; E407-L411 WeakPolarHBondContact O-CG 3.44Å; E407-L411 PolarHBondContact O-N 3.36Å; V408-L411 PolarHBondContact O-N 2.72Å; L411-K414 PolarHBondContact O-N 2.85Å; L411-L415 WeakPolarHBondContact O-CB 3.36Å; L411-L415 WeakPolarHBondContact O-CG 3.41Å; L411-L415 PolarHBondContact O-N 2.78Å |
| 412 | R | 93.8 | Very high | 92.6 | Very high | 159 Ų | 159 | 101.2 Ų | 101.2 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 174.5 | -176.1 | -165 | 66.7 | -168.9 | -5 | 111.2 | V408 N409 L415 Q416 | V408-R412 VanDerWaalsContact O-CB 3.3Å; V408-R412 WeakPolarHBondContact O-CB 3.36Å; V408-R412 PolarHBondContact O-N 3.1Å; N409-R412 PolarHBondContact O-N 3.17Å; N409-R412 PolarHBondContact OD1-NH1 2.88Å; N409-R412 PolarHBondContact OD1-NH2 2.92Å; R412-L415 PolarHBondContact O-N 2.99Å; R412-Q416 VanDerWaalsContact O-CB 3.28Å; R412-Q416 WeakPolarHBondContact O-CB 3.32Å; R412-Q416 PolarHBondContact O-N 2.9Å |
| 413 | E | 93.4 | Very high | 93 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 177.1 | -174.3 | 174.8 | 178.8 | 0 | 0 | 111.3 | N409 I410 Q416 I417 | N409-E413 WeakPolarHBondContact O-CB 3.5Å; N409-E413 PolarHBondContact O-N 2.89Å; I410-E413 PolarHBondContact O-N 3.08Å; E413-Q416 WeakPolarHBondContact O-CB 3.35Å; E413-Q416 PolarHBondContact O-N 3.48Å; E413-I417 HydrophobicContact CG-CD1 4.12Å; E413-I417 VanDerWaalsContact O-CG1 3.28Å; E413-I417 WeakPolarHBondContact O-CG1 3.28Å; E413-I417 PolarHBondContact O-N 3.08Å |
| 414 | K | 94.4 | Very high | 93.3 | Very high | 121 Ų | 121 | 98.2 Ų | 98.2 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 175 | -173.8 | -176.5 | 175.7 | -169.6 | 0 | 112.1 | I410 L411 Q416 I417 E418 | I410-K414 WeakPolarHBondContact O-CB 3.47Å; I410-K414 PolarHBondContact O-N 3.27Å; L411-K414 PolarHBondContact O-N 2.85Å; K414-Q416 VanDerWaalsContact C-N 3.3Å; K414-Q416 PolarHBondContact O-N 3.22Å; K414-I417 PolarHBondContact O-N 2.93Å; K414-E418 VanDerWaalsContact CE-OE1 3.26Å; K414-E418 WeakPolarHBondContact CE-OE1 3.21Å; K414-E418 WeakPolarHBondContact O-CG 3.29Å; K414-E418 PolarHBondContact O-N 3.49Å |
| 415 | L | 93 | Very high | 93.4 | Very high | 113 Ų | 113 | 96.8 Ų | 96.8 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -36.9 | 176.6 | -78 | 168.4 | 0 | 0 | 0 | 111.8 | L411 R412 E418 L419 | L411-L415 WeakPolarHBondContact O-CB 3.36Å; L411-L415 WeakPolarHBondContact O-CG 3.41Å; L411-L415 PolarHBondContact O-N 2.78Å; R412-L415 PolarHBondContact O-N 2.99Å; L415-E418 PolarHBondContact O-N 3.25Å; L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.28Å; L415-L419 PolarHBondContact O-N 3.17Å |
| 416 | Q | 95.2 | Very high | 93.7 | Very high | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175 | -173 | 68.4 | 20.8 | 0 | 0 | 111.3 | R412 E413 K414 L419 T420 | R412-Q416 VanDerWaalsContact O-CB 3.28Å; R412-Q416 WeakPolarHBondContact O-CB 3.32Å; R412-Q416 PolarHBondContact O-N 2.9Å; E413-Q416 WeakPolarHBondContact O-CB 3.35Å; E413-Q416 PolarHBondContact O-N 3.48Å; K414-Q416 VanDerWaalsContact C-N 3.3Å; K414-Q416 PolarHBondContact O-N 3.22Å; Q416-L419 PolarHBondContact O-N 3.43Å; Q416-T420 WeakPolarHBondContact O-CG2 3.41Å; Q416-T420 PolarHBondContact O-N 2.87Å; Q416-T420 PolarHBondContact O-OG1 3.39Å |
| 417 | I | 93.4 | Very high | 93.9 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 175.5 | -68.7 | 163.9 | 0 | 0 | 0 | 110 | E413 K414 L419 T420 Q421 | E413-I417 HydrophobicContact CG-CD1 4.12Å; E413-I417 VanDerWaalsContact O-CG1 3.28Å; E413-I417 WeakPolarHBondContact O-CG1 3.28Å; E413-I417 PolarHBondContact O-N 3.08Å; K414-I417 PolarHBondContact O-N 2.93Å; I417-L419 VanDerWaalsContact C-N 3.33Å; I417-L419 PolarHBondContact O-N 3.34Å; I417-T420 WeakPolarHBondContact CA-OG1 3.47Å; I417-T420 PolarHBondContact O-N 3.33Å; I417-T420 PolarHBondContact O-OG1 2.82Å; I417-Q421 WeakPolarHBondContact O-CB 3.39Å; I417-Q421 PolarHBondContact O-N 3.45Å |
| 418 | E | 94.8 | Very high | 93.9 | Very high | 97 Ų | 97 | 97.5 Ų | 97.5 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 176.8 | -75 | 178.5 | -173 | 0 | 0 | 111.8 | K414 L415 Q421 V422 | K414-E418 VanDerWaalsContact CE-OE1 3.26Å; K414-E418 WeakPolarHBondContact CE-OE1 3.21Å; K414-E418 WeakPolarHBondContact O-CG 3.29Å; K414-E418 PolarHBondContact O-N 3.49Å; L415-E418 PolarHBondContact O-N 3.25Å; E418-Q421 PolarHBondContact O-N 3.29Å; E418-V422 WeakPolarHBondContact O-CG2 3.32Å; E418-V422 PolarHBondContact O-N 3.32Å |
| 419 | L | 93.6 | Very high | 94 | Very high | 89 Ų | 89 | 95 Ų | 95 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 175.8 | -173.4 | 75.7 | 0 | 0 | 0 | 111.5 | L415 Q416 I417 Q421 V422 Q423 | L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.28Å; L415-L419 PolarHBondContact O-N 3.17Å; Q416-L419 PolarHBondContact O-N 3.43Å; I417-L419 VanDerWaalsContact C-N 3.33Å; I417-L419 PolarHBondContact O-N 3.34Å; L419-Q421 VanDerWaalsContact C-N 3.32Å; L419-Q421 PolarHBondContact O-N 2.8Å; L419-V422 PolarHBondContact O-N 3.46Å; L419-Q423 WeakPolarHBondContact O-CB 3.4Å; L419-Q423 WeakPolarHBondContact O-CG 3.43Å; L419-Q423 PolarHBondContact O-N 2.85Å |
| 420 | T | 93.1 | Very high | 94 | Very high | 66 Ų | 66 | 95.8 Ų | 95.8 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | Q416 I417 S424 | Q416-T420 WeakPolarHBondContact O-CG2 3.41Å; Q416-T420 PolarHBondContact O-N 2.87Å; Q416-T420 PolarHBondContact O-OG1 3.39Å; I417-T420 WeakPolarHBondContact CA-OG1 3.47Å; I417-T420 PolarHBondContact O-N 3.33Å; I417-T420 PolarHBondContact O-OG1 2.82Å; T420-S424 WeakPolarHBondContact O-CB 3.28Å; T420-S424 PolarHBondContact O-N 2.87Å |
| 421 | Q | 93.4 | Very high | 94 | Very high | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 175.9 | -175.7 | 64.2 | 40 | 0 | 0 | 111.5 | I417 E418 L419 S424 N425 | I417-Q421 WeakPolarHBondContact O-CB 3.39Å; I417-Q421 PolarHBondContact O-N 3.45Å; E418-Q421 PolarHBondContact O-N 3.29Å; L419-Q421 VanDerWaalsContact C-N 3.32Å; L419-Q421 PolarHBondContact O-N 2.8Å; Q421-S424 PolarHBondContact O-N 3.47Å; Q421-N425 PolarHBondContact NE2-OD1 3.44Å; Q421-N425 WeakPolarHBondContact O-CB 3.47Å; Q421-N425 PolarHBondContact O-N 2.92Å; Q421-N425 PolarHBondContact O-OD1 2.89Å |
| 422 | V | 93.8 | Very high | 94 | Very high | 91 Ų | 91 | 98 Ų | 98 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | E418 L419 S424 N425 E426 | E418-V422 WeakPolarHBondContact O-CG2 3.32Å; E418-V422 PolarHBondContact O-N 3.32Å; L419-V422 PolarHBondContact O-N 3.46Å; V422-S424 PolarHBondContact O-N 3.41Å; V422-N425 PolarHBondContact O-N 2.83Å; V422-E426 WeakPolarHBondContact O-CB 3.42Å; V422-E426 PolarHBondContact O-N 2.86Å |
| 423 | Q | 95.8 | Very high | 94 | Very high | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.5 | -74.6 | 177.2 | -18.8 | 0 | 0 | 112.1 | L419 E426 V427 | L419-Q423 WeakPolarHBondContact O-CB 3.4Å; L419-Q423 WeakPolarHBondContact O-CG 3.43Å; L419-Q423 PolarHBondContact O-N 2.85Å; Q423-E426 WeakPolarHBondContact O-CB 3.37Å; Q423-E426 PolarHBondContact O-N 3.31Å; Q423-V427 WeakPolarHBondContact O-CG2 3.32Å; Q423-V427 PolarHBondContact O-N 3.18Å |
| 424 | S | 94 | Very high | 94 | Very high | 56 Ų | 56 | 96.2 Ų | 96.2 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 174.8 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | T420 Q421 V422 E426 V427 E428 | T420-S424 WeakPolarHBondContact O-CB 3.28Å; T420-S424 PolarHBondContact O-N 2.87Å; Q421-S424 PolarHBondContact O-N 3.47Å; V422-S424 PolarHBondContact O-N 3.41Å; S424-E426 VanDerWaalsContact C-N 3.3Å; S424-E426 PolarHBondContact O-N 3.38Å; S424-V427 PolarHBondContact O-N 2.88Å; S424-E428 PolarHBondContact O-N 2.92Å |
| 425 | N | 93.9 | Very high | 93.9 | Very high | 75 Ų | 75 | 95.5 Ų | 95.5 | 40% | 0.401 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 177.8 | -68.3 | -10.9 | 0 | 0 | 0 | 111.9 | Q421 V422 A429 | Q421-N425 PolarHBondContact NE2-OD1 3.44Å; Q421-N425 WeakPolarHBondContact O-CB 3.47Å; Q421-N425 PolarHBondContact O-N 2.92Å; Q421-N425 PolarHBondContact O-OD1 2.89Å; V422-N425 PolarHBondContact O-N 2.83Å; N425-A429 VanDerWaalsContact O-CB 3.27Å; N425-A429 WeakPolarHBondContact O-CB 3.19Å; N425-A429 PolarHBondContact O-N 2.81Å |
| 426 | E | 94.5 | Very high | 93.8 | Very high | 116 Ų | 116 | 95.7 Ų | 95.7 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.7 | -170.1 | -164.4 | 158.9 | 0 | 0 | 111.3 | V422 Q423 S424 A429 N430 | V422-E426 WeakPolarHBondContact O-CB 3.42Å; V422-E426 PolarHBondContact O-N 2.86Å; Q423-E426 WeakPolarHBondContact O-CB 3.37Å; Q423-E426 PolarHBondContact O-N 3.31Å; S424-E426 VanDerWaalsContact C-N 3.3Å; S424-E426 PolarHBondContact O-N 3.38Å; E426-A429 PolarHBondContact O-N 3.4Å; E426-N430 VanDerWaalsContact O-CB 3.32Å; E426-N430 WeakPolarHBondContact O-CB 3.29Å; E426-N430 VanDerWaalsContact O-CG 3.31Å; E426-N430 PolarHBondContact O-N 2.74Å; E426-N430 PolarHBondContact O-ND2 3.28Å |
| 427 | V | 94.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 93.6 Ų | 93.6 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | Q423 S424 N430 Q431 | Q423-V427 WeakPolarHBondContact O-CG2 3.32Å; Q423-V427 PolarHBondContact O-N 3.18Å; S424-V427 PolarHBondContact O-N 2.88Å; V427-N430 PolarHBondContact O-N 2.93Å; V427-Q431 WeakPolarHBondContact O-CB 3.18Å; V427-Q431 PolarHBondContact O-N 2.81Å |
| 428 | E | 93.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 95.9 Ų | 95.9 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.3 | -75.7 | -172.9 | -161.5 | 0 | 0 | 112.6 | S424 Q431 R432 | S424-E428 PolarHBondContact O-N 2.92Å; E428-Q431 PolarHBondContact O-N 3.47Å; E428-R432 WeakPolarHBondContact O-CG 3.33Å; E428-R432 PolarHBondContact O-N 3.42Å; E428-R432 IonicContact OE2-CZ 2.72Å; E428-R432 IonicContact OE2-NH1 2.85Å; E428-R432 IonicContact OE2-NH2 3.58Å; E428-R432 PolarHBondContact OE2-NH2 3.35Å |
| 429 | A | 93 | Very high | 93.5 | Very high | 41 Ų | 41 | 95.9 Ų | 95.9 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N425 E426 Q431 R432 I433 | N425-A429 VanDerWaalsContact O-CB 3.27Å; N425-A429 WeakPolarHBondContact O-CB 3.19Å; N425-A429 PolarHBondContact O-N 2.81Å; E426-A429 PolarHBondContact O-N 3.4Å; A429-Q431 VanDerWaalsContact C-N 3.3Å; A429-Q431 PolarHBondContact O-N 3.31Å; A429-R432 PolarHBondContact O-N 2.76Å; A429-I433 VanDerWaalsContact O-CG1 3.28Å; A429-I433 WeakPolarHBondContact O-CG1 3.27Å; A429-I433 PolarHBondContact O-N 3.37Å |
| 430 | N | 94.3 | Very high | 93.3 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 175.7 | -78.6 | -33.8 | 0 | 0 | 0 | 112.2 | E426 V427 K434 | E426-N430 VanDerWaalsContact O-CB 3.32Å; E426-N430 WeakPolarHBondContact O-CB 3.29Å; E426-N430 VanDerWaalsContact O-CG 3.31Å; E426-N430 PolarHBondContact O-N 2.74Å; E426-N430 PolarHBondContact O-ND2 3.28Å; V427-N430 PolarHBondContact O-N 2.93Å; N430-K434 WeakPolarHBondContact O-CG 3.36Å; N430-K434 PolarHBondContact O-N 3.22Å |
| 431 | Q | 94.1 | Very high | 93.2 | Very high | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 175 | -176.8 | 169.3 | -14.9 | 0 | 0 | 111.9 | V427 E428 A429 I433 K434 E435 | V427-Q431 WeakPolarHBondContact O-CB 3.18Å; V427-Q431 PolarHBondContact O-N 2.81Å; E428-Q431 PolarHBondContact O-N 3.47Å; A429-Q431 VanDerWaalsContact C-N 3.3Å; A429-Q431 PolarHBondContact O-N 3.31Å; Q431-I433 VanDerWaalsContact C-N 3.28Å; Q431-I433 PolarHBondContact O-N 2.89Å; Q431-K434 WeakPolarHBondContact O-CB 3.3Å; Q431-K434 PolarHBondContact O-N 2.92Å; Q431-K434 VanDerWaalsContact O-N 3.1Å; Q431-E435 WeakPolarHBondContact CG-OE1 3.42Å; Q431-E435 PolarHBondContact NE2-OE1 2.75Å; Q431-E435 WeakPolarHBondContact O-CG 3.29Å; Q431-E435 PolarHBondContact O-N 3.46Å |
| 432 | R | 93.8 | Very high | 93.1 | Very high | 135 Ų | 135 | 99 Ų | 99 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 175.5 | -69.9 | -175.2 | -166 | 107.5 | 9 | 112 | E428 A429 E435 Q436 | E428-R432 WeakPolarHBondContact O-CG 3.33Å; E428-R432 PolarHBondContact O-N 3.42Å; E428-R432 IonicContact OE2-CZ 2.72Å; E428-R432 IonicContact OE2-NH1 2.85Å; E428-R432 IonicContact OE2-NH2 3.58Å; E428-R432 PolarHBondContact OE2-NH2 3.35Å; A429-R432 PolarHBondContact O-N 2.76Å; R432-E435 PolarHBondContact O-N 2.83Å; R432-Q436 WeakPolarHBondContact O-CB 3.37Å; R432-Q436 VanDerWaalsContact O-CG 3.22Å; R432-Q436 WeakPolarHBondContact O-CG 3.29Å; R432-Q436 PolarHBondContact O-N 2.93Å |
| 433 | I | 93.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 99 Ų | 99 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.8 | -71.6 | 167.3 | 0 | 0 | 0 | 110.7 | A429 Q431 T437 | A429-I433 VanDerWaalsContact O-CG1 3.28Å; A429-I433 WeakPolarHBondContact O-CG1 3.27Å; A429-I433 PolarHBondContact O-N 3.37Å; Q431-I433 VanDerWaalsContact C-N 3.28Å; Q431-I433 PolarHBondContact O-N 2.89Å; I433-T437 WeakPolarHBondContact O-CB 3.46Å; I433-T437 PolarHBondContact O-N 2.85Å; I433-T437 PolarHBondContact O-OG1 2.77Å |
| 434 | K | 94.2 | Very high | 92.6 | Very high | 152 Ų | 152 | 99.9 Ų | 99.9 | 66% | 0.661 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -49.4 | 175.8 | -74.7 | 175.2 | -178.4 | 178.6 | 0 | 111.5 | N430 Q431 Q436 T437 E438 | N430-K434 WeakPolarHBondContact O-CG 3.36Å; N430-K434 PolarHBondContact O-N 3.22Å; Q431-K434 WeakPolarHBondContact O-CB 3.3Å; Q431-K434 PolarHBondContact O-N 2.92Å; Q431-K434 VanDerWaalsContact O-N 3.1Å; K434-Q436 PolarHBondContact O-N 3.37Å; K434-T437 WeakPolarHBondContact O-CB 3.25Å; K434-T437 PolarHBondContact O-N 2.99Å; K434-T437 VanDerWaalsContact O-N 3.13Å; K434-E438 WeakPolarHBondContact O-CG 3.27Å; K434-E438 PolarHBondContact O-N 3.2Å |
| 435 | E | 93.4 | Very high | 92.2 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 178.8 | -70.3 | 169.2 | -172.3 | 0 | 0 | 111.9 | Q431 R432 T437 E438 L439 | Q431-E435 WeakPolarHBondContact CG-OE1 3.42Å; Q431-E435 PolarHBondContact NE2-OE1 2.75Å; Q431-E435 WeakPolarHBondContact O-CG 3.29Å; Q431-E435 PolarHBondContact O-N 3.46Å; R432-E435 PolarHBondContact O-N 2.83Å; E435-T437 VanDerWaalsContact C-N 3.34Å; E435-T437 PolarHBondContact O-N 3.37Å; E435-E438 PolarHBondContact O-N 2.71Å; E435-L439 WeakPolarHBondContact O-CB 3.28Å; E435-L439 PolarHBondContact O-N 3.36Å |
| 436 | Q | 90.4 | Very high | 91.7 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.6 | -74.6 | 175.3 | -11.9 | 0 | 0 | 111.9 | R432 K434 L439 I440 | R432-Q436 WeakPolarHBondContact O-CB 3.37Å; R432-Q436 VanDerWaalsContact O-CG 3.22Å; R432-Q436 WeakPolarHBondContact O-CG 3.29Å; R432-Q436 PolarHBondContact O-N 2.93Å; K434-Q436 PolarHBondContact O-N 3.37Å; Q436-L439 PolarHBondContact O-N 3.33Å; Q436-I440 WeakPolarHBondContact O-CB 3.35Å; Q436-I440 WeakPolarHBondContact O-CD1 3.23Å; Q436-I440 WeakPolarHBondContact O-CG1 3.23Å; Q436-I440 PolarHBondContact O-N 3.48Å |
| 437 | T | 92.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 99 Ų | 99 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | I433 K434 E435 K441 | I433-T437 WeakPolarHBondContact O-CB 3.46Å; I433-T437 PolarHBondContact O-N 2.85Å; I433-T437 PolarHBondContact O-OG1 2.77Å; K434-T437 WeakPolarHBondContact O-CB 3.25Å; K434-T437 PolarHBondContact O-N 2.99Å; K434-T437 VanDerWaalsContact O-N 3.13Å; E435-T437 VanDerWaalsContact C-N 3.34Å; E435-T437 PolarHBondContact O-N 3.37Å; T437-K441 WeakPolarHBondContact O-CG 3.36Å; T437-K441 PolarHBondContact O-N 3.42Å |
| 438 | E | 93.2 | Very high | 90.5 | Very high | 146 Ų | 146 | 102.1 Ų | 102.1 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 175.2 | -67.9 | -147.3 | 144.5 | 0 | 0 | 112 | K434 E435 I440 K441 L442 | K434-E438 WeakPolarHBondContact O-CG 3.27Å; K434-E438 PolarHBondContact O-N 3.2Å; E435-E438 PolarHBondContact O-N 2.71Å; E438-I440 PolarHBondContact O-N 3.48Å; E438-K441 PolarHBondContact O-N 3.26Å; E438-L442 WeakPolarHBondContact O-CB 3.25Å; E438-L442 PolarHBondContact O-N 3.49Å |
| 439 | L | 91.6 | Very high | 90 | Very high | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.2 | -177.7 | 63.3 | 0 | 0 | 0 | 111.8 | E435 Q436 L442 L443 | E435-L439 WeakPolarHBondContact O-CB 3.28Å; E435-L439 PolarHBondContact O-N 3.36Å; Q436-L439 PolarHBondContact O-N 3.33Å; L439-L442 WeakPolarHBondContact O-CB 3.36Å; L439-L442 PolarHBondContact O-N 3.08Å; L439-L443 HydrophobicContact CD1-CD1 4.49Å; L439-L443 HydrophobicContact CD1-CG 4.44Å; L439-L443 HydrophobicContact CG-CD1 4.14Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 3.3Å |
| 440 | I | 89.5 | Confident | 89.1 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 175.9 | -72 | 164.7 | 0 | 0 | 0 | 109.9 | Q436 E438 L442 L443 E444 | Q436-I440 WeakPolarHBondContact O-CB 3.35Å; Q436-I440 WeakPolarHBondContact O-CD1 3.23Å; Q436-I440 WeakPolarHBondContact O-CG1 3.23Å; Q436-I440 PolarHBondContact O-N 3.48Å; E438-I440 PolarHBondContact O-N 3.48Å; I440-L442 VanDerWaalsContact C-N 3.27Å; I440-L442 PolarHBondContact O-N 2.85Å; I440-L443 PolarHBondContact O-N 3.3Å; I440-E444 HydrophobicContact CG2-CG 4.21Å; I440-E444 WeakPolarHBondContact CG2-OE1 3.29Å; I440-E444 WeakPolarHBondContact O-CB 3.23Å; I440-E444 VanDerWaalsContact O-CG 3.28Å; I440-E444 WeakPolarHBondContact O-CG 3.26Å; I440-E444 PolarHBondContact O-N 2.88Å |
| 441 | K | 90.7 | Very high | 88.5 | Confident | 133 Ų | 133 | 110.7 Ų | 110.7 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.1 | -40 | 175.7 | -74.5 | 176.7 | -179.3 | 179 | 0 | 112.3 | T437 E438 S445 | T437-K441 WeakPolarHBondContact O-CG 3.36Å; T437-K441 PolarHBondContact O-N 3.42Å; E438-K441 PolarHBondContact O-N 3.26Å; K441-S445 WeakPolarHBondContact O-CB 3.43Å; K441-S445 PolarHBondContact O-N 3.29Å |
| 442 | L | 91.9 | Very high | 87.7 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 177.7 | -159 | 86.4 | 0 | 0 | 0 | 111 | E438 L439 I440 E444 S445 D446 | E438-L442 WeakPolarHBondContact O-CB 3.25Å; E438-L442 PolarHBondContact O-N 3.49Å; L439-L442 WeakPolarHBondContact O-CB 3.36Å; L439-L442 PolarHBondContact O-N 3.08Å; I440-L442 VanDerWaalsContact C-N 3.27Å; I440-L442 PolarHBondContact O-N 2.85Å; L442-E444 PolarHBondContact O-N 2.72Å; L442-S445 PolarHBondContact O-N 2.78Å; L442-S445 VanDerWaalsContact O-N 3.16Å; L442-S445 PolarHBondContact O-OG 3.15Å; L442-D446 PolarHBondContact O-N 2.65Å |
| 443 | L | 87.6 | Confident | 86.8 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.3 | -70.8 | 171.8 | 0 | 0 | 0 | 112.2 | L439 I440 S445 D446 L447 | L439-L443 HydrophobicContact CD1-CD1 4.49Å; L439-L443 HydrophobicContact CD1-CG 4.44Å; L439-L443 HydrophobicContact CG-CD1 4.14Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 3.3Å; I440-L443 PolarHBondContact O-N 3.3Å; L443-S445 VanDerWaalsContact C-N 3.3Å; L443-S445 PolarHBondContact O-N 2.85Å; L443-D446 PolarHBondContact O-N 3.49Å; L443-L447 WeakPolarHBondContact O-CB 3.39Å; L443-L447 VanDerWaalsContact O-CG 3.3Å; L443-L447 WeakPolarHBondContact O-CG 3.29Å; L443-L447 PolarHBondContact O-N 3.32Å |
| 444 | E | 90.8 | Very high | 85.9 | Confident | 119 Ų | 119 | 106.4 Ų | 106.4 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -40.8 | 173.9 | -74.5 | 175.1 | 171.2 | 0 | 0 | 111.1 | I440 L442 Y448 | I440-E444 HydrophobicContact CG2-CG 4.21Å; I440-E444 WeakPolarHBondContact CG2-OE1 3.29Å; I440-E444 WeakPolarHBondContact O-CB 3.23Å; I440-E444 VanDerWaalsContact O-CG 3.28Å; I440-E444 WeakPolarHBondContact O-CG 3.26Å; I440-E444 PolarHBondContact O-N 2.88Å; L442-E444 PolarHBondContact O-N 2.72Å; E444-Y448 WeakPolarHBondContact O-CB 3.26Å; E444-Y448 PolarHBondContact O-N 3.34Å |
| 445 | S | 86.2 | Confident | 84.9 | Confident | 54 Ų | 54 | 103 Ų | 103 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 176.9 | 78.7 | 0 | 0 | 0 | 0 | 112.8 | K441 L442 L443 Y448 R449 | K441-S445 WeakPolarHBondContact O-CB 3.43Å; K441-S445 PolarHBondContact O-N 3.29Å; L442-S445 PolarHBondContact O-N 2.78Å; L442-S445 VanDerWaalsContact O-N 3.16Å; L442-S445 PolarHBondContact O-OG 3.15Å; L443-S445 VanDerWaalsContact C-N 3.3Å; L443-S445 PolarHBondContact O-N 2.85Å; S445-Y448 PolarHBondContact O-N 3.44Å; S445-R449 WeakPolarHBondContact O-CG 3.42Å; S445-R449 PolarHBondContact O-N 2.85Å |
| 446 | D | 83.7 | Confident | 83.8 | Confident | 62 Ų | 62 | 104 Ų | 104 | 33% | 0.332 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -40.7 | 177 | -78.3 | -23.6 | 0 | 0 | 0 | 111.6 | L442 L443 Y448 R449 L450 | L442-D446 PolarHBondContact O-N 2.65Å; L443-D446 PolarHBondContact O-N 3.49Å; D446-Y448 VanDerWaalsContact C-N 3.33Å; D446-R449 PolarHBondContact O-N 2.69Å; D446-R449 IonicContact OD1-NH1 3.95Å; D446-L450 WeakPolarHBondContact O-CB 3.15Å; D446-L450 WeakPolarHBondContact O-CG 3.17Å; D446-L450 PolarHBondContact O-N 2.97Å |
| 447 | L | 81.1 | Confident | 82.5 | Confident | 114 Ų | 114 | 102 Ų | 102 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 173.7 | -73.4 | 176.7 | 0 | 0 | 0 | 111.2 | L443 L450 Q451 | L443-L447 WeakPolarHBondContact O-CB 3.39Å; L443-L447 VanDerWaalsContact O-CG 3.3Å; L443-L447 WeakPolarHBondContact O-CG 3.29Å; L443-L447 PolarHBondContact O-N 3.32Å; L447-L450 PolarHBondContact O-N 3.3Å; L447-Q451 WeakPolarHBondContact O-CB 3.49Å; L447-Q451 PolarHBondContact O-N 2.97Å |
| 448 | Y | 83 | Confident | 81.1 | Confident | 160 Ų | 160 | 104.6 Ų | 104.6 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 174.6 | -169.9 | -98.2 | 0 | 0 | 0 | 111.4 | E444 S445 D446 L450 Q451 T452 | E444-Y448 WeakPolarHBondContact O-CB 3.26Å; E444-Y448 PolarHBondContact O-N 3.34Å; S445-Y448 PolarHBondContact O-N 3.44Å; D446-Y448 VanDerWaalsContact C-N 3.33Å; Y448-L450 PolarHBondContact O-N 3.12Å; Y448-Q451 PolarHBondContact O-N 3.3Å; Y448-T452 HydrophobicContact CD1-CG2 4.05Å; Y448-T452 HydrophobicContact CE1-CG2 3.71Å; Y448-T452 WeakPolarHBondContact O-CG2 3.46Å; Y448-T452 PolarHBondContact O-N 2.9Å; Y448-T452 PolarHBondContact O-OG1 2.9Å |
| 449 | R | 82.6 | Confident | 79.7 | Confident | 155 Ų | 155 | 105.9 Ų | 105.9 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -40.1 | 175.8 | -74.5 | 176.7 | 71.1 | -149.7 | 3 | 113 | S445 D446 T452 N453 | S445-R449 WeakPolarHBondContact O-CG 3.42Å; S445-R449 PolarHBondContact O-N 2.85Å; D446-R449 PolarHBondContact O-N 2.69Å; D446-R449 IonicContact OD1-NH1 3.95Å; R449-T452 WeakPolarHBondContact CA-OG1 3.3Å; R449-T452 PolarHBondContact O-OG1 3.41Å; R449-N453 WeakPolarHBondContact O-CB 3.49Å; R449-N453 PolarHBondContact O-N 2.85Å; R449-N453 PolarHBondContact O-ND2 2.71Å |
| 450 | L | 73.6 | Confident | 78.1 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 175.7 | -74.8 | 171.5 | 0 | 0 | 0 | 111.2 | D446 L447 Y448 N453 L454 | D446-L450 WeakPolarHBondContact O-CB 3.15Å; D446-L450 WeakPolarHBondContact O-CG 3.17Å; D446-L450 PolarHBondContact O-N 2.97Å; L447-L450 PolarHBondContact O-N 3.3Å; Y448-L450 PolarHBondContact O-N 3.12Å; L450-N453 PolarHBondContact O-N 3.45Å; L450-L454 WeakPolarHBondContact O-CB 3.5Å; L450-L454 PolarHBondContact O-N 2.92Å |
| 451 | Q | 81.8 | Confident | 76.1 | Confident | 116 Ų | 116 | 109.6 Ų | 109.6 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 176.5 | -174 | 168.5 | -2.5 | 0 | 0 | 111.7 | L447 Y448 N453 L454 D455 | L447-Q451 WeakPolarHBondContact O-CB 3.49Å; L447-Q451 PolarHBondContact O-N 2.97Å; Y448-Q451 PolarHBondContact O-N 3.3Å; Q451-N453 VanDerWaalsContact C-N 3.32Å; Q451-N453 PolarHBondContact O-N 3.36Å; Q451-L454 PolarHBondContact O-N 2.66Å; Q451-D455 PolarHBondContact O-N 3.44Å |
| 452 | T | 76.9 | Confident | 73.8 | Confident | 49 Ų | 49 | 110.6 Ų | 110.6 | 30% | 0.301 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -38.3 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | Y448 R449 D455 E456 | Y448-T452 HydrophobicContact CD1-CG2 4.05Å; Y448-T452 HydrophobicContact CE1-CG2 3.71Å; Y448-T452 WeakPolarHBondContact O-CG2 3.46Å; Y448-T452 PolarHBondContact O-N 2.9Å; Y448-T452 PolarHBondContact O-OG1 2.9Å; R449-T452 WeakPolarHBondContact CA-OG1 3.3Å; R449-T452 PolarHBondContact O-OG1 3.41Å; T452-D455 PolarHBondContact O-N 3.35Å; T452-E456 WeakPolarHBondContact O-CB 3.4Å; T452-E456 PolarHBondContact O-N 3.35Å |
| 453 | N | 75.6 | Confident | 71.6 | Confident | 92 Ų | 92 | 110.2 Ų | 110.2 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.6 | -36.8 | 176.6 | -71.8 | -14 | 0 | 0 | 0 | 112.1 | R449 L450 Q451 S457 | R449-N453 WeakPolarHBondContact O-CB 3.49Å; R449-N453 PolarHBondContact O-N 2.85Å; R449-N453 PolarHBondContact O-ND2 2.71Å; L450-N453 PolarHBondContact O-N 3.45Å; Q451-N453 VanDerWaalsContact C-N 3.32Å; Q451-N453 PolarHBondContact O-N 3.36Å; N453-S457 VanDerWaalsContact O-CB 3.3Å; N453-S457 WeakPolarHBondContact O-CB 3.45Å; N453-S457 PolarHBondContact O-N 3.11Å; N453-S457 PolarHBondContact O-OG 2.85Å |
| 454 | L | 73.4 | Confident | 69.2 | Low | 107 Ų | 107 | 117 Ų | 117 | 56% | 0.56 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.1 | -46.6 | 172.2 | -92.4 | 167.7 | 0 | 0 | 0 | 111 | L450 Q451 S457 L458 | L450-L454 WeakPolarHBondContact O-CB 3.5Å; L450-L454 PolarHBondContact O-N 2.92Å; Q451-L454 PolarHBondContact O-N 2.66Å; L454-S457 PolarHBondContact O-N 2.96Å; L454-L458 WeakPolarHBondContact O-CB 3.38Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 2.9Å |
| 455 | D | 73.4 | Confident | 66.9 | Low | 80 Ų | 80 | 118.1 Ų | 118.1 | 43% | 0.428 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 178.8 | -75.4 | -21.7 | 0 | 0 | 0 | 112.4 | Q451 T452 L458 K459 | Q451-D455 PolarHBondContact O-N 3.44Å; T452-D455 PolarHBondContact O-N 3.35Å; D455-L458 PolarHBondContact O-N 2.88Å; D455-K459 WeakPolarHBondContact O-CB 3.33Å; D455-K459 WeakPolarHBondContact O-CG 3.19Å; D455-K459 PolarHBondContact O-N 3.49Å |
| 456 | E | 70.9 | Confident | 64.6 | Low | 129 Ų | 129 | 127.3 Ų | 127.3 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -43 | 171.6 | -80.4 | -133 | 152.7 | 0 | 0 | 112.1 | T452 L458 K459 L460 | T452-E456 WeakPolarHBondContact O-CB 3.4Å; T452-E456 PolarHBondContact O-N 3.35Å; E456-L458 VanDerWaalsContact C-N 3.29Å; E456-L458 PolarHBondContact O-N 3.36Å; E456-K459 PolarHBondContact O-N 3.04Å; E456-L460 PolarHBondContact O-N 2.77Å |
| 457 | S | 62.7 | Low | 62.5 | Low | 75 Ų | 75 | 132.1 Ų | 132.1 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.1 | -35.1 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | N453 L454 N461 | N453-S457 VanDerWaalsContact O-CB 3.3Å; N453-S457 WeakPolarHBondContact O-CB 3.45Å; N453-S457 PolarHBondContact O-N 3.11Å; N453-S457 PolarHBondContact O-OG 2.85Å; L454-S457 PolarHBondContact O-N 2.96Å; S457-N461 WeakPolarHBondContact O-CB 3.26Å; S457-N461 PolarHBondContact O-N 3.23Å |
| 458 | L | 63.9 | Low | 60.6 | Low | 119 Ų | 119 | 136.1 Ų | 136.1 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.5 | -39.4 | 173.4 | -72.3 | 169.5 | 0 | 0 | 0 | 111.7 | L454 D455 E456 N461 | L454-L458 WeakPolarHBondContact O-CB 3.38Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 2.9Å; D455-L458 PolarHBondContact O-N 2.88Å; E456-L458 VanDerWaalsContact C-N 3.29Å; E456-L458 PolarHBondContact O-N 3.36Å; L458-N461 PolarHBondContact O-N 2.84Å |
| 459 | K | 62.4 | Low | 58.6 | Low | 172 Ų | 172 | 131.6 Ų | 131.6 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67 | -35.1 | 176.5 | -85.2 | 177 | 177.2 | 176.3 | 0 | 113.6 | D455 E456 N461 | D455-K459 WeakPolarHBondContact O-CB 3.33Å; D455-K459 WeakPolarHBondContact O-CG 3.19Å; D455-K459 PolarHBondContact O-N 3.49Å; E456-K459 PolarHBondContact O-N 3.04Å; K459-N461 VanDerWaalsContact C-N 3.27Å |
| 460 | L | 57.7 | Low | 56.4 | Low | 152 Ų | 152 | 129.9 Ų | 129.9 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.9 | -11.9 | 177.2 | -69.5 | 176 | 0 | 0 | 0 | 113 | E456 | E456-L460 PolarHBondContact O-N 2.77Å |
| 461 | N | 47.4 | Very low | 54.9 | Low | 112 Ų | 112 | 132.2 Ų | 132.2 | 60% | 0.599 | 67% | 0.672 | S | S | * | * | trans | -109.1 | 58.2 | -178.5 | -155.2 | 8.6 | 0 | 0 | 0 | 111.9 | S457 L458 K459 S463 | S457-N461 WeakPolarHBondContact O-CB 3.26Å; S457-N461 PolarHBondContact O-N 3.23Å; L458-N461 PolarHBondContact O-N 2.84Å; K459-N461 VanDerWaalsContact C-N 3.27Å; N461-S463 PolarHBondContact O-N 2.78Å | ||
| 462 | D | 42.5 | Very low | 53.1 | Low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 68% | 0.684 | S | S | * | * | trans | -73.1 | 17.1 | 172.2 | -137.2 | -8 | 0 | 0 | 0 | 112.7 | R464 | D462-R464 PolarHBondContact O-N 3.48Š| ||
| 463 | S | 46 | Very low | 51.5 | Low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | trans | -101.4 | 79.5 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | N461 N465 | N461-S463 PolarHBondContact O-N 2.78Å; S463-N465 VanDerWaalsContact C-N 3.33Å; S463-N465 PolarHBondContact O-N 3.25Å | ||
| 464 | R | 38.1 | Very low | 49.9 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | trans | -44.9 | 86.9 | 164.9 | -169.7 | -173.9 | -164.3 | 106.4 | -1.4 | 111.4 | D462 | D462-R464 PolarHBondContact O-N 3.48Š| ||
| 465 | N | 41.3 | Very low | 48.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | 158.8 | 94.3 | 150.3 | -82.5 | -20.8 | 0 | 0 | 0 | 111 | S463 | S463-N465 VanDerWaalsContact C-N 3.33Å; S463-N465 PolarHBondContact O-N 3.25Å | ||
| 466 | R | 37.8 | Very low | 47 | Very low | 246 Ų | 246 | 140.3 Ų | 140.3 | 93% | 0.928 | 72% | 0.721 | S | S | * | * | trans | -180 | 80 | 139.1 | -99.2 | 169.8 | -152.1 | -148.5 | 6.8 | 108.8 | ||||
| 467 | L | 40.3 | Very low | 45.4 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -65.6 | 143.7 | 162.8 | -86 | 140.7 | 0 | 0 | 0 | 109.8 | ||||
| 468 | E | 41.1 | Very low | 44.3 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 85.8 | -7.7 | 153.9 | -71.9 | 179.9 | 152.2 | 0 | 0 | 122.4 | ||
| 469 | G | 41.3 | Very low | 43.2 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -115.6 | -24.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 470 | H | 35.4 | Very low | 42.3 | Very low | 118 Ų | 118 | 141 Ų | 141 | 55% | 0.546 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -111.6 | -8.1 | -158.6 | -128.1 | 52.5 | 0 | 0 | 0 | 115.3 | L472 A473 E474 | H470-L472 VanDerWaalsContact C-N 3.28Å; H470-L472 PolarHBondContact O-N 3.34Å; H470-A473 PolarHBondContact O-N 3.1Å; H470-A473 VanDerWaalsContact O-N 3.08Å; H470-E474 IonicContact CD2-OE2 2.7Å; H470-E474 PolarHBondContact CD2-OE2 2.87Å; H470-E474 PolarHBondContact O-N 2.78Å |
| 471 | L | 43.7 | Very low | 41.8 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -20.8 | -174.2 | -131.1 | 97.9 | 0 | 0 | 0 | 114 | ||
| 472 | L | 43.5 | Very low | 42 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -15 | 172.1 | -67.7 | 176.7 | 0 | 0 | 0 | 112.9 | H470 I476 | H470-L472 VanDerWaalsContact C-N 3.28Å; H470-L472 PolarHBondContact O-N 3.34Å; L472-I476 VanDerWaalsContact O-CD1 3.25Å; L472-I476 WeakPolarHBondContact O-CD1 3.42Å; L472-I476 WeakPolarHBondContact O-CG1 3.29Å |
| 473 | A | 43.6 | Very low | 42.5 | Very low | 45 Ų | 45 | 135.7 Ų | 135.7 | 37% | 0.372 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -27.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H470 I476 G477 | H470-A473 PolarHBondContact O-N 3.1Å; H470-A473 VanDerWaalsContact O-N 3.08Å; A473-I476 CarbonylContact O-C 3.43Å; A473-I476 WeakPolarHBondContact O-CA 3.25Å; A473-I476 VanDerWaalsContact O-CB 3.31Å; A473-I476 WeakPolarHBondContact O-CB 3.5Å; A473-I476 PolarHBondContact O-N 3.48Å; A473-G477 PolarHBondContact O-N 3.03Å |
| 474 | E | 42.4 | Very low | 42.6 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -79.5 | -21.2 | 175.7 | -165.7 | 133.5 | -163.8 | 0 | 0 | 112.6 | H470 I476 G477 | H470-E474 IonicContact CD2-OE2 2.7Å; H470-E474 PolarHBondContact CD2-OE2 2.87Å; H470-E474 PolarHBondContact O-N 2.78Å; E474-I476 PolarHBondContact O-N 3.07Å; E474-G477 PolarHBondContact O-N 2.9Å |
| 475 | V | 46.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -69.2 | -12.2 | 160.1 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 476 | I | 39.1 | Very low | 44.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -104.9 | 9.4 | 170.5 | -53.4 | 172.8 | 0 | 0 | 0 | 110.4 | L472 A473 E474 D478 | L472-I476 VanDerWaalsContact O-CD1 3.25Å; L472-I476 WeakPolarHBondContact O-CD1 3.42Å; L472-I476 WeakPolarHBondContact O-CG1 3.29Å; A473-I476 CarbonylContact O-C 3.43Å; A473-I476 WeakPolarHBondContact O-CA 3.25Å; A473-I476 VanDerWaalsContact O-CB 3.31Å; A473-I476 WeakPolarHBondContact O-CB 3.5Å; A473-I476 PolarHBondContact O-N 3.48Å; E474-I476 PolarHBondContact O-N 3.07Å; I476-D478 PolarHBondContact O-N 2.7Å |
| 477 | G | 36.8 | Very low | 45.7 | Very low | 39 Ų | 39 | 122.3 Ų | 122.3 | 40% | 0.402 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -64.8 | 97.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A473 E474 Q479 | A473-G477 PolarHBondContact O-N 3.03Å; E474-G477 PolarHBondContact O-N 2.9Å; G477-Q479 PolarHBondContact O-N 3.49Å |
| 478 | D | 40.1 | Very low | 47 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 87% | 0.872 | 64% | 0.636 | S | S | * | * | trans | 46.4 | 15.4 | 149.9 | -142.6 | 23.8 | 0 | 0 | 0 | 119.5 | I476 K480 | I476-D478 PolarHBondContact O-N 2.7Å; D478-K480 PolarHBondContact O-N 2.84Å; D478-K480 VanDerWaalsContact O-N 3.11Å | ||
| 479 | Q | 41 | Very low | 48.6 | Very low | 143 Ų | 143 | 114.2 Ų | 114.2 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | trans | -74.9 | 108.6 | 170.9 | -65.8 | -161.9 | 4.3 | 0 | 0 | 108.8 | G477 | G477-Q479 PolarHBondContact O-N 3.49Š| ||
| 480 | K | 43.7 | Very low | 50.4 | Low | 166 Ų | 166 | 115.1 Ų | 115.1 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | -17.1 | 125.5 | 175.1 | -70.9 | 175.7 | 178.8 | 174.4 | 0 | 112.7 | D478 S482 Q483 | D478-K480 PolarHBondContact O-N 2.84Å; D478-K480 VanDerWaalsContact O-N 3.11Å; K480-S482 PolarHBondContact O-N 3.42Å; K480-Q483 PolarHBondContact O-N 3.37Å | ||
| 481 | P | 45.7 | Very low | 52.2 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -53.1 | -19.2 | -173 | 16.1 | -29.6 | 0 | 0 | 0 | 114.9 | Q483 N485 | P481-Q483 VanDerWaalsContact C-N 3.33Å; P481-Q483 PolarHBondContact O-N 2.85Å; P481-N485 WeakPolarHBondContact O-CB 3.34Å; P481-N485 VanDerWaalsContact O-CG 3.28Å; P481-N485 PolarHBondContact O-N 3.23Å; P481-N485 VanDerWaalsContact O-N 3.09Å; P481-N485 PolarHBondContact O-ND2 2.98Å |
| 482 | S | 53.1 | Low | 54 | Low | 89 Ų | 89 | 109.7 Ų | 109.7 | 62% | 0.622 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -56.3 | -39.3 | 171 | -51.3 | 0 | 0 | 0 | 0 | 114 | K480 Q486 | K480-S482 PolarHBondContact O-N 3.42Å; S482-Q486 PolarHBondContact O-N 2.82Å |
| 483 | Q | 51.9 | Low | 55.9 | Low | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -81.7 | -34.3 | -174.8 | -141.8 | 171.4 | -1.1 | 0 | 0 | 111.9 | K480 P481 Q486 S487 | K480-Q483 PolarHBondContact O-N 3.37Å; P481-Q483 VanDerWaalsContact C-N 3.33Å; P481-Q483 PolarHBondContact O-N 2.85Å; Q483-Q486 PolarHBondContact O-N 3.32Å; Q483-S487 PolarHBondContact O-N 3.06Å |
| 484 | Y | 49.2 | Very low | 57.9 | Low | 157 Ų | 157 | 108.4 Ų | 108.4 | 62% | 0.616 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.4 | -45.9 | 170.4 | -174.9 | -94.4 | 0 | 0 | 0 | 111.3 | Q486 S487 L488 | Y484-Q486 PolarHBondContact O-N 3.44Å; Y484-S487 PolarHBondContact O-N 3.03Å; Y484-L488 HydrophobicContact CE1-CD2 4.26Å; Y484-L488 WeakPolarHBondContact O-CB 3.37Å; Y484-L488 PolarHBondContact O-N 3.37Å |
| 485 | N | 51.5 | Low | 59.5 | Low | 92 Ų | 92 | 106.3 Ų | 106.3 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.8 | -34.1 | 175.2 | -74.6 | -26.9 | 0 | 0 | 0 | 111.9 | P481 L489 | P481-N485 WeakPolarHBondContact O-CB 3.34Å; P481-N485 VanDerWaalsContact O-CG 3.28Å; P481-N485 PolarHBondContact O-N 3.23Å; P481-N485 VanDerWaalsContact O-N 3.09Å; P481-N485 PolarHBondContact O-ND2 2.98Å; N485-L489 WeakPolarHBondContact O-CB 3.43Å; N485-L489 WeakPolarHBondContact O-CD1 3.37Å; N485-L489 WeakPolarHBondContact O-CG 3.5Å; N485-L489 PolarHBondContact O-N 2.87Å |
| 486 | Q | 67.5 | Low | 61.4 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 58% | 0.575 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -75 | -37.9 | 177.8 | -156.9 | 154.3 | 15.5 | 0 | 0 | 112.7 | S482 Q483 Y484 N490 | S482-Q486 PolarHBondContact O-N 2.82Å; Q483-Q486 PolarHBondContact O-N 3.32Å; Y484-Q486 PolarHBondContact O-N 3.44Å; Q486-N490 WeakPolarHBondContact O-CB 3.37Å; Q486-N490 VanDerWaalsContact O-CG 3.23Å; Q486-N490 PolarHBondContact O-N 3.47Å; Q486-N490 PolarHBondContact O-ND2 3.18Å |
| 487 | S | 62.7 | Low | 63.5 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | Q483 Y484 N490 I491 | Q483-S487 PolarHBondContact O-N 3.06Å; Y484-S487 PolarHBondContact O-N 3.03Å; S487-N490 PolarHBondContact O-N 3.42Å; S487-I491 VanDerWaalsContact O-CG1 3.27Å; S487-I491 WeakPolarHBondContact O-CG1 3.47Å; S487-I491 PolarHBondContact O-N 2.8Å |
| 488 | L | 66.2 | Low | 65.9 | Low | 78 Ų | 78 | 107.9 Ų | 107.9 | 41% | 0.408 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.4 | -172.9 | 68 | 0 | 0 | 0 | 111.3 | Y484 N490 I491 V492 | Y484-L488 HydrophobicContact CE1-CD2 4.26Å; Y484-L488 WeakPolarHBondContact O-CB 3.37Å; Y484-L488 PolarHBondContact O-N 3.37Å; L488-N490 PolarHBondContact O-N 2.85Å; L488-I491 PolarHBondContact O-N 2.83Å; L488-V492 HydrophobicContact CG-CG2 4.5Å; L488-V492 WeakPolarHBondContact O-CB 3.41Å; L488-V492 VanDerWaalsContact O-CG2 3.27Å; L488-V492 WeakPolarHBondContact O-CG2 3.46Å; L488-V492 PolarHBondContact O-N 2.94Å |
| 489 | L | 76.5 | Confident | 68.3 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 172.5 | -94.1 | 160.3 | 0 | 0 | 0 | 111.8 | N485 I491 V492 Q493 | N485-L489 WeakPolarHBondContact O-CB 3.43Å; N485-L489 WeakPolarHBondContact O-CD1 3.37Å; N485-L489 WeakPolarHBondContact O-CG 3.5Å; N485-L489 PolarHBondContact O-N 2.87Å; L489-I491 PolarHBondContact O-N 2.88Å; L489-V492 PolarHBondContact O-N 3.23Å; L489-Q493 WeakPolarHBondContact O-CB 3.33Å; L489-Q493 PolarHBondContact O-N 3.24Å |
| 490 | N | 78 | Confident | 70.8 | Confident | 85 Ų | 85 | 106.6 Ų | 106.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 177.2 | -77.2 | -20.8 | 0 | 0 | 0 | 112.2 | Q486 S487 L488 N494 | Q486-N490 WeakPolarHBondContact O-CB 3.37Å; Q486-N490 VanDerWaalsContact O-CG 3.23Å; Q486-N490 PolarHBondContact O-N 3.47Å; Q486-N490 PolarHBondContact O-ND2 3.18Å; S487-N490 PolarHBondContact O-N 3.42Å; L488-N490 PolarHBondContact O-N 2.85Å; N490-N494 VanDerWaalsContact O-CB 3.31Å; N490-N494 WeakPolarHBondContact O-CB 3.18Å; N490-N494 PolarHBondContact O-N 2.89Å; N490-N494 PolarHBondContact O-ND2 2.91Å |
| 491 | I | 74 | Confident | 73.1 | Confident | 83 Ų | 83 | 102 Ų | 102 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 175.9 | -67.5 | 163.2 | 0 | 0 | 0 | 110.2 | S487 L488 L489 Q493 N494 Q495 | S487-I491 VanDerWaalsContact O-CG1 3.27Å; S487-I491 WeakPolarHBondContact O-CG1 3.47Å; S487-I491 PolarHBondContact O-N 2.8Å; L488-I491 PolarHBondContact O-N 2.83Å; L489-I491 PolarHBondContact O-N 2.88Å; I491-Q493 VanDerWaalsContact C-N 3.34Å; I491-Q493 PolarHBondContact O-N 3.37Å; I491-N494 PolarHBondContact O-N 3.47Å; I491-Q495 WeakPolarHBondContact O-CB 3.39Å; I491-Q495 WeakPolarHBondContact O-CG 3.33Å; I491-Q495 PolarHBondContact O-N 3.5Å |
| 492 | V | 80.5 | Confident | 75.3 | Confident | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L488 L489 Q495 R496 | L488-V492 HydrophobicContact CG-CG2 4.5Å; L488-V492 WeakPolarHBondContact O-CB 3.41Å; L488-V492 VanDerWaalsContact O-CG2 3.27Å; L488-V492 WeakPolarHBondContact O-CG2 3.46Å; L488-V492 PolarHBondContact O-N 2.94Å; L489-V492 PolarHBondContact O-N 3.23Å; V492-Q495 PolarHBondContact O-N 2.87Å; V492-R496 VanDerWaalsContact O-CB 3.28Å; V492-R496 WeakPolarHBondContact O-CB 3.37Å; V492-R496 PolarHBondContact O-N 2.89Å |
| 493 | Q | 83.3 | Confident | 77.2 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.9 | -176 | 172.6 | -12.3 | 0 | 0 | 111.1 | L489 I491 Q495 R496 D497 | L489-Q493 WeakPolarHBondContact O-CB 3.33Å; L489-Q493 PolarHBondContact O-N 3.24Å; I491-Q493 VanDerWaalsContact C-N 3.34Å; I491-Q493 PolarHBondContact O-N 3.37Å; Q493-Q495 VanDerWaalsContact C-N 3.33Å; Q493-Q495 PolarHBondContact O-N 3.29Å; Q493-R496 WeakPolarHBondContact O-CB 3.37Å; Q493-R496 PolarHBondContact O-N 3.11Å; Q493-D497 WeakPolarHBondContact O-CB 3.47Å; Q493-D497 PolarHBondContact O-N 3.33Å |
| 494 | N | 85.2 | Confident | 79.2 | Confident | 84 Ų | 84 | 103.5 Ų | 103.5 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 175.8 | -74.5 | -23.8 | 0 | 0 | 0 | 112.7 | N490 I491 R498 | N490-N494 VanDerWaalsContact O-CB 3.31Å; N490-N494 WeakPolarHBondContact O-CB 3.18Å; N490-N494 PolarHBondContact O-N 2.89Å; N490-N494 PolarHBondContact O-ND2 2.91Å; I491-N494 PolarHBondContact O-N 3.47Å; N494-R498 WeakPolarHBondContact O-CB 3.09Å; N494-R498 VanDerWaalsContact O-CG 3.3Å; N494-R498 WeakPolarHBondContact O-CG 3.43Å; N494-R498 PolarHBondContact O-N 3.06Å; N494-R498 PolarHBondContact O-NE 3.11Å |
| 495 | Q | 76.9 | Confident | 81.3 | Confident | 98 Ų | 98 | 101.4 Ų | 101.4 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -47.9 | 172.4 | -77 | -176.3 | -6.3 | 0 | 0 | 110.8 | I491 V492 Q493 D497 R498 F499 | I491-Q495 WeakPolarHBondContact O-CB 3.39Å; I491-Q495 WeakPolarHBondContact O-CG 3.33Å; I491-Q495 PolarHBondContact O-N 3.5Å; V492-Q495 PolarHBondContact O-N 2.87Å; Q493-Q495 VanDerWaalsContact C-N 3.33Å; Q493-Q495 PolarHBondContact O-N 3.29Å; Q495-D497 VanDerWaalsContact C-N 3.29Å; Q495-D497 PolarHBondContact O-N 2.99Å; Q495-R498 PolarHBondContact O-N 2.91Å; Q495-F499 HydrophobicContact CB-CD2 4.43Å; Q495-F499 HydrophobicContact CB-CE2 4.35Å; Q495-F499 WeakPolarHBondContact O-CD2 3.47Å; Q495-F499 PolarHBondContact O-N 2.92Å |
| 496 | R | 87.5 | Confident | 83.3 | Confident | 122 Ų | 122 | 102.1 Ų | 102.1 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55 | -45.8 | 175.4 | -178.6 | -157.7 | 71 | -176.8 | -2.2 | 111.2 | V492 Q493 F499 R500 | V492-R496 VanDerWaalsContact O-CB 3.28Å; V492-R496 WeakPolarHBondContact O-CB 3.37Å; V492-R496 PolarHBondContact O-N 2.89Å; Q493-R496 WeakPolarHBondContact O-CB 3.37Å; Q493-R496 PolarHBondContact O-N 3.11Å; R496-F499 PolarHBondContact O-N 3.25Å; R496-R500 WeakPolarHBondContact O-CB 3.34Å; R496-R500 PolarHBondContact O-N 3.44Å |
| 497 | D | 83.2 | Confident | 84.5 | Confident | 51 Ų | 51 | 102 Ų | 102 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | -178.3 | -67.6 | -11.1 | 0 | 0 | 0 | 110.7 | Q493 Q495 F499 R500 T501 | Q493-D497 WeakPolarHBondContact O-CB 3.47Å; Q493-D497 PolarHBondContact O-N 3.33Å; Q495-D497 VanDerWaalsContact C-N 3.29Å; Q495-D497 PolarHBondContact O-N 2.99Å; D497-F499 PolarHBondContact O-N 3.48Å; D497-R500 WeakPolarHBondContact O-CB 3.44Å; D497-R500 PolarHBondContact O-N 2.94Å; D497-T501 PolarHBondContact O-N 3.21Å; D497-T501 PolarHBondContact O-OG1 3.49Å; D497-T501 VanDerWaalsContact O-OG1 3.11Å |
| 498 | R | 86.9 | Confident | 86 | Confident | 171 Ų | 171 | 103.6 Ų | 103.6 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 170.5 | -79.3 | -176.5 | -99.7 | -132.8 | 3.5 | 113.2 | N494 Q495 R502 | N494-R498 WeakPolarHBondContact O-CB 3.09Å; N494-R498 VanDerWaalsContact O-CG 3.3Å; N494-R498 WeakPolarHBondContact O-CG 3.43Å; N494-R498 PolarHBondContact O-N 3.06Å; N494-R498 PolarHBondContact O-NE 3.11Å; Q495-R498 PolarHBondContact O-N 2.91Å; R498-R502 WeakPolarHBondContact O-CB 3.39Å; R498-R502 PolarHBondContact O-N 3.29Å |
| 499 | F | 90.6 | Very high | 87.3 | Confident | 142 Ų | 142 | 104.6 Ų | 104.6 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67 | -37.1 | 175.6 | -77.3 | -62.8 | 0 | 0 | 0 | 112 | Q495 R496 D497 R502 A503 | Q495-F499 HydrophobicContact CB-CD2 4.43Å; Q495-F499 HydrophobicContact CB-CE2 4.35Å; Q495-F499 WeakPolarHBondContact O-CD2 3.47Å; Q495-F499 PolarHBondContact O-N 2.92Å; R496-F499 PolarHBondContact O-N 3.25Å; D497-F499 PolarHBondContact O-N 3.48Å; F499-R502 PolarHBondContact O-N 3.25Å; F499-A503 WeakPolarHBondContact O-CB 3.13Å; F499-A503 PolarHBondContact O-N 3.13Å |
| 500 | R | 93.5 | Very high | 88.2 | Confident | 138 Ų | 138 | 103.3 Ų | 103.3 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 174.7 | -177.5 | -173.8 | -71 | -178.2 | -4.8 | 111 | R496 D497 R502 A503 E504 | R496-R500 WeakPolarHBondContact O-CB 3.34Å; R496-R500 PolarHBondContact O-N 3.44Å; D497-R500 WeakPolarHBondContact O-CB 3.44Å; D497-R500 PolarHBondContact O-N 2.94Å; R500-R502 VanDerWaalsContact C-N 3.33Å; R500-R502 PolarHBondContact O-N 3.11Å; R500-A503 WeakPolarHBondContact O-CB 3.21Å; R500-A503 PolarHBondContact O-N 2.91Å; R500-A503 VanDerWaalsContact O-N 3.1Å; R500-E504 WeakPolarHBondContact CG-OE1 3.13Å; R500-E504 WeakPolarHBondContact O-CG 3.33Å; R500-E504 PolarHBondContact O-N 2.7Å |
| 501 | T | 92 | Very high | 89 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.8 | -54 | 0 | 0 | 0 | 0 | 111.5 | D497 A503 E504 E505 | D497-T501 PolarHBondContact O-N 3.21Å; D497-T501 PolarHBondContact O-OG1 3.49Å; D497-T501 VanDerWaalsContact O-OG1 3.11Å; T501-A503 VanDerWaalsContact C-N 3.29Å; T501-A503 PolarHBondContact O-N 3.47Å; T501-E504 PolarHBondContact O-N 3.39Å; T501-E505 WeakPolarHBondContact O-CG 3.29Å; T501-E505 PolarHBondContact O-N 3.43Å |
| 502 | R | 92 | Very high | 90 | Very high | 170 Ų | 170 | 101 Ų | 101 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.4 | -34.8 | 176.3 | -166.8 | 179.7 | -172.2 | 115.7 | 1 | 112.6 | R498 F499 R500 L506 | R498-R502 WeakPolarHBondContact O-CB 3.39Å; R498-R502 PolarHBondContact O-N 3.29Å; F499-R502 PolarHBondContact O-N 3.25Å; R500-R502 VanDerWaalsContact C-N 3.33Å; R500-R502 PolarHBondContact O-N 3.11Å; R502-L506 HydrophobicContact CG-CD1 4.34Å; R502-L506 WeakPolarHBondContact O-CB 3.36Å; R502-L506 VanDerWaalsContact O-CG 3.27Å; R502-L506 WeakPolarHBondContact O-CG 3.31Å; R502-L506 PolarHBondContact O-N 3.48Å |
| 503 | A | 91.8 | Very high | 90.7 | Very high | 56 Ų | 56 | 102.2 Ų | 102.2 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F499 R500 T501 L506 E507 | F499-A503 WeakPolarHBondContact O-CB 3.13Å; F499-A503 PolarHBondContact O-N 3.13Å; R500-A503 WeakPolarHBondContact O-CB 3.21Å; R500-A503 PolarHBondContact O-N 2.91Å; R500-A503 VanDerWaalsContact O-N 3.1Å; T501-A503 VanDerWaalsContact C-N 3.29Å; T501-A503 PolarHBondContact O-N 3.47Å; A503-L506 PolarHBondContact O-N 3.49Å; A503-E507 WeakPolarHBondContact O-CB 3.2Å; A503-E507 PolarHBondContact O-N 3.41Å |
| 504 | E | 94.3 | Very high | 91.2 | Very high | 110 Ų | 110 | 105.3 Ų | 105.3 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.2 | -72.3 | 169.5 | -170.3 | 0 | 0 | 111.6 | R500 T501 E507 Q508 | R500-E504 WeakPolarHBondContact CG-OE1 3.13Å; R500-E504 WeakPolarHBondContact O-CG 3.33Å; R500-E504 PolarHBondContact O-N 2.7Å; T501-E504 PolarHBondContact O-N 3.39Å; E504-E507 PolarHBondContact O-N 3.2Å; E504-Q508 WeakPolarHBondContact O-CB 3.26Å; E504-Q508 PolarHBondContact O-N 3.31Å |
| 505 | E | 93 | Very high | 91.6 | Very high | 113 Ų | 113 | 107.1 Ų | 107.1 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.4 | -74.8 | 174.5 | -177 | 0 | 0 | 112.4 | T501 Q508 N509 | T501-E505 WeakPolarHBondContact O-CG 3.29Å; T501-E505 PolarHBondContact O-N 3.43Å; E505-Q508 PolarHBondContact O-N 2.91Å; E505-N509 WeakPolarHBondContact O-CB 3.27Å; E505-N509 VanDerWaalsContact O-CG 3.27Å; E505-N509 PolarHBondContact O-N 2.99Å; E505-N509 PolarHBondContact O-ND2 3.36Å |
| 506 | L | 92.7 | Very high | 92.5 | Very high | 107 Ų | 107 | 108.3 Ų | 108.3 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 176.6 | -80.4 | 169.7 | 0 | 0 | 0 | 111.7 | R502 A503 N509 E510 | R502-L506 HydrophobicContact CG-CD1 4.34Å; R502-L506 WeakPolarHBondContact O-CB 3.36Å; R502-L506 VanDerWaalsContact O-CG 3.27Å; R502-L506 WeakPolarHBondContact O-CG 3.31Å; R502-L506 PolarHBondContact O-N 3.48Å; A503-L506 PolarHBondContact O-N 3.49Å; L506-N509 PolarHBondContact O-N 2.92Å; L506-E510 WeakPolarHBondContact O-CB 3.16Å; L506-E510 PolarHBondContact O-N 2.91Å |
| 507 | E | 94.1 | Very high | 92.7 | Very high | 122 Ų | 122 | 107.7 Ų | 107.7 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 175.5 | -171.7 | 173 | -172.1 | 0 | 0 | 111 | A503 E504 N509 E510 I511 | A503-E507 WeakPolarHBondContact O-CB 3.2Å; A503-E507 PolarHBondContact O-N 3.41Å; E504-E507 PolarHBondContact O-N 3.2Å; E507-N509 PolarHBondContact O-N 2.86Å; E507-E510 WeakPolarHBondContact O-CB 3.49Å; E507-E510 PolarHBondContact O-N 2.7Å; E507-I511 HydrophobicContact CG-CD1 4.25Å; E507-I511 VanDerWaalsContact O-CG1 3.31Å; E507-I511 WeakPolarHBondContact O-CG1 3.3Å; E507-I511 PolarHBondContact O-N 3.41Å |
| 508 | Q | 94.5 | Very high | 93.3 | Very high | 97 Ų | 97 | 108.3 Ų | 108.3 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.6 | -169.8 | 60.5 | 39.7 | 0 | 0 | 112.2 | E504 E505 E510 I511 N512 | E504-Q508 WeakPolarHBondContact O-CB 3.26Å; E504-Q508 PolarHBondContact O-N 3.31Å; E505-Q508 PolarHBondContact O-N 2.91Å; Q508-E510 VanDerWaalsContact C-N 3.31Å; Q508-E510 PolarHBondContact O-N 3.18Å; Q508-I511 PolarHBondContact O-N 3.27Å; Q508-N512 PolarHBondContact NE2-OD1 3.3Å; Q508-N512 WeakPolarHBondContact O-CB 3.42Å; Q508-N512 PolarHBondContact O-N 2.88Å; Q508-N512 PolarHBondContact O-ND2 3.48Å; Q508-N512 PolarHBondContact O-OD1 3.44Å |
| 509 | N | 93.7 | Very high | 93.6 | Very high | 99 Ų | 99 | 102.5 Ų | 102.5 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 174.1 | -78.2 | -28.5 | 0 | 0 | 0 | 111.8 | E505 L506 E507 N512 L513 | E505-N509 WeakPolarHBondContact O-CB 3.27Å; E505-N509 VanDerWaalsContact O-CG 3.27Å; E505-N509 PolarHBondContact O-N 2.99Å; E505-N509 PolarHBondContact O-ND2 3.36Å; L506-N509 PolarHBondContact O-N 2.92Å; E507-N509 PolarHBondContact O-N 2.86Å; N509-N512 PolarHBondContact O-N 2.85Å; N509-L513 WeakPolarHBondContact O-CB 3.37Å; N509-L513 PolarHBondContact O-N 3.44Å |
| 510 | E | 94.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -43 | 175.9 | -155.3 | -139.1 | 168.8 | 0 | 0 | 111.7 | L506 E507 Q508 L513 R514 | L506-E510 WeakPolarHBondContact O-CB 3.16Å; L506-E510 PolarHBondContact O-N 2.91Å; E507-E510 WeakPolarHBondContact O-CB 3.49Å; E507-E510 PolarHBondContact O-N 2.7Å; Q508-E510 VanDerWaalsContact C-N 3.31Å; Q508-E510 PolarHBondContact O-N 3.18Å; E510-L513 PolarHBondContact O-N 2.91Å; E510-R514 WeakPolarHBondContact O-CB 3.47Å; E510-R514 VanDerWaalsContact O-CG 3.32Å; E510-R514 WeakPolarHBondContact O-CG 3.27Å; E510-R514 PolarHBondContact O-N 3.34Å; E510-R514 IonicContact OE1-CZ 2.74Å; E510-R514 IonicContact OE1-NE 3.7Å; E510-R514 PolarHBondContact OE1-NE 2.82Å; E510-R514 IonicContact OE1-NH2 3.89Å; E510-R514 PolarHBondContact OE1-NH2 2.97Å; E510-R514 IonicContact OE2-CZ 3.2Å; E510-R514 IonicContact OE2-NE 3.33Å; E510-R514 IonicContact OE2-NH2 3.05Å |
| 511 | I | 95.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 99.4 Ų | 99.4 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 175.6 | -68.2 | 165.4 | 0 | 0 | 0 | 110.3 | E507 Q508 L513 R514 Q515 | E507-I511 HydrophobicContact CG-CD1 4.25Å; E507-I511 VanDerWaalsContact O-CG1 3.31Å; E507-I511 WeakPolarHBondContact O-CG1 3.3Å; E507-I511 PolarHBondContact O-N 3.41Å; Q508-I511 PolarHBondContact O-N 3.27Å; I511-L513 PolarHBondContact O-N 2.85Å; I511-R514 PolarHBondContact O-N 3.37Å; I511-Q515 HydrophobicContact CG2-CG 4.49Å; I511-Q515 WeakPolarHBondContact O-CG 3.49Å; I511-Q515 PolarHBondContact O-N 2.89Å |
| 512 | N | 95.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 103.8 Ų | 103.8 | 31% | 0.31 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 179 | -67.8 | -15.7 | 0 | 0 | 0 | 111.4 | Q508 N509 Q515 Q516 | Q508-N512 PolarHBondContact NE2-OD1 3.3Å; Q508-N512 WeakPolarHBondContact O-CB 3.42Å; Q508-N512 PolarHBondContact O-N 2.88Å; Q508-N512 PolarHBondContact O-ND2 3.48Å; Q508-N512 PolarHBondContact O-OD1 3.44Å; N509-N512 PolarHBondContact O-N 2.85Å; N512-Q515 PolarHBondContact O-N 3.27Å; N512-Q516 WeakPolarHBondContact O-CG 3.37Å; N512-Q516 PolarHBondContact O-N 3.46Å |
| 513 | L | 93.8 | Very high | 94 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 178.4 | -169.5 | 67.4 | 0 | 0 | 0 | 111.9 | N509 E510 I511 Q515 Q516 L517 | N509-L513 WeakPolarHBondContact O-CB 3.37Å; N509-L513 PolarHBondContact O-N 3.44Å; E510-L513 PolarHBondContact O-N 2.91Å; I511-L513 PolarHBondContact O-N 2.85Å; L513-Q515 VanDerWaalsContact C-N 3.35Å; L513-Q516 PolarHBondContact O-N 2.84Å; L513-L517 WeakPolarHBondContact O-CG 3.35Å; L513-L517 PolarHBondContact O-N 3.44Å |
| 514 | R | 95.2 | Very high | 94 | Very high | 152 Ų | 152 | 101.5 Ų | 101.5 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 173.3 | -76.2 | -178.2 | 179.6 | -171 | 3.5 | 111.6 | E510 I511 L517 V518 | E510-R514 WeakPolarHBondContact O-CB 3.47Å; E510-R514 VanDerWaalsContact O-CG 3.32Å; E510-R514 WeakPolarHBondContact O-CG 3.27Å; E510-R514 PolarHBondContact O-N 3.34Å; E510-R514 IonicContact OE1-CZ 2.74Å; E510-R514 IonicContact OE1-NE 3.7Å; E510-R514 PolarHBondContact OE1-NE 2.82Å; E510-R514 IonicContact OE1-NH2 3.89Å; E510-R514 PolarHBondContact OE1-NH2 2.97Å; E510-R514 IonicContact OE2-CZ 3.2Å; E510-R514 IonicContact OE2-NE 3.33Å; E510-R514 IonicContact OE2-NH2 3.05Å; I511-R514 PolarHBondContact O-N 3.37Å; R514-L517 PolarHBondContact O-N 2.84Å; R514-V518 VanDerWaalsContact O-CG2 3.29Å; R514-V518 WeakPolarHBondContact O-CG2 2.93Å; R514-V518 PolarHBondContact O-N 3.37Å |
| 515 | Q | 93.5 | Very high | 93.9 | Very high | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 176.3 | -73.4 | 177.6 | 6.5 | 0 | 0 | 111.9 | I511 N512 L513 V518 S519 | I511-Q515 HydrophobicContact CG2-CG 4.49Å; I511-Q515 WeakPolarHBondContact O-CG 3.49Å; I511-Q515 PolarHBondContact O-N 2.89Å; N512-Q515 PolarHBondContact O-N 3.27Å; L513-Q515 VanDerWaalsContact C-N 3.35Å; Q515-V518 PolarHBondContact O-N 2.9Å; Q515-S519 PolarHBondContact O-N 2.84Å |
| 516 | Q | 94.2 | Very high | 93.9 | Very high | 123 Ų | 123 | 99 Ų | 99 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 174.8 | -72.4 | 178.1 | 7.1 | 0 | 0 | 112.4 | N512 L513 V518 S519 L520 | N512-Q516 WeakPolarHBondContact O-CG 3.37Å; N512-Q516 PolarHBondContact O-N 3.46Å; L513-Q516 PolarHBondContact O-N 2.84Å; Q516-V518 VanDerWaalsContact C-N 3.31Å; Q516-V518 PolarHBondContact O-N 2.97Å; Q516-S519 WeakPolarHBondContact CA-OG 3.2Å; Q516-S519 PolarHBondContact O-N 3.25Å; Q516-S519 PolarHBondContact O-OG 3.07Å; Q516-L520 VanDerWaalsContact O-CB 3.32Å; Q516-L520 WeakPolarHBondContact O-CB 3.38Å; Q516-L520 PolarHBondContact O-N 3.32Å |
| 517 | L | 93.2 | Very high | 93.8 | Very high | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 174.6 | -79 | 173.6 | 0 | 0 | 0 | 111.8 | L513 R514 Q521 | L513-L517 WeakPolarHBondContact O-CG 3.35Å; L513-L517 PolarHBondContact O-N 3.44Å; R514-L517 PolarHBondContact O-N 2.84Å; L517-Q521 VanDerWaalsContact O-CB 3.27Å; L517-Q521 WeakPolarHBondContact O-CB 3.49Å; L517-Q521 PolarHBondContact O-N 3.38Å |
| 518 | V | 94.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 98.7 Ų | 98.7 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 177.6 | 175 | 0 | 0 | 0 | 0 | 111.4 | R514 Q515 Q516 Q521 R522 | R514-V518 VanDerWaalsContact O-CG2 3.29Å; R514-V518 WeakPolarHBondContact O-CG2 2.93Å; R514-V518 PolarHBondContact O-N 3.37Å; Q515-V518 PolarHBondContact O-N 2.9Å; Q516-V518 VanDerWaalsContact C-N 3.31Å; Q516-V518 PolarHBondContact O-N 2.97Å; V518-Q521 PolarHBondContact O-N 2.96Å; V518-R522 VanDerWaalsContact CG1-CZ 3.46Å; V518-R522 WeakPolarHBondContact O-CG 3.39Å; V518-R522 PolarHBondContact O-N 3.44Å; V518-R522 VanDerWaalsContact O-N 3.07Å |
| 519 | S | 94.4 | Very high | 93.1 | Very high | 49 Ų | 49 | 96.3 Ų | 96.3 | 34% | 0.343 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 175.2 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | Q515 Q516 Q521 R522 E523 | Q515-S519 PolarHBondContact O-N 2.84Å; Q516-S519 WeakPolarHBondContact CA-OG 3.2Å; Q516-S519 PolarHBondContact O-N 3.25Å; Q516-S519 PolarHBondContact O-OG 3.07Å; S519-Q521 VanDerWaalsContact C-N 3.29Å; S519-Q521 PolarHBondContact O-N 3.49Å; S519-R522 WeakPolarHBondContact O-CB 3.42Å; S519-R522 PolarHBondContact O-N 2.88Å; S519-R522 VanDerWaalsContact O-N 3.1Å; S519-E523 PolarHBondContact O-N 2.75Å |
| 520 | L | 93 | Very high | 92.8 | Very high | 100 Ų | 100 | 95.2 Ų | 95.2 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.4 | -157.7 | 70.6 | 0 | 0 | 0 | 111.6 | Q516 E523 V524 | Q516-L520 VanDerWaalsContact O-CB 3.32Å; Q516-L520 WeakPolarHBondContact O-CB 3.38Å; Q516-L520 PolarHBondContact O-N 3.32Å; L520-E523 PolarHBondContact O-N 3.19Å; L520-V524 WeakPolarHBondContact O-CB 3.4Å; L520-V524 VanDerWaalsContact O-CG2 3.27Å; L520-V524 WeakPolarHBondContact O-CG2 3.31Å; L520-V524 PolarHBondContact O-N 2.86Å |
| 521 | Q | 94.5 | Very high | 92.4 | Very high | 116 Ų | 116 | 93.6 Ų | 93.6 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.2 | -174.7 | 176.7 | -25.4 | 0 | 0 | 111.9 | L517 V518 S519 V524 E525 | L517-Q521 VanDerWaalsContact O-CB 3.27Å; L517-Q521 WeakPolarHBondContact O-CB 3.49Å; L517-Q521 PolarHBondContact O-N 3.38Å; V518-Q521 PolarHBondContact O-N 2.96Å; S519-Q521 VanDerWaalsContact C-N 3.29Å; S519-Q521 PolarHBondContact O-N 3.49Å; Q521-V524 PolarHBondContact O-N 2.92Å; Q521-E525 PolarHBondContact NE2-OE1 3.49Å; Q521-E525 WeakPolarHBondContact O-CB 3.37Å; Q521-E525 WeakPolarHBondContact O-CG 3.44Å; Q521-E525 PolarHBondContact O-N 3.42Å |
| 522 | R | 93.6 | Very high | 92 | Very high | 161 Ų | 161 | 91.1 Ų | 91.1 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64 | -40 | 175.6 | -72 | -172.9 | -163.9 | 107.8 | 0.2 | 112.3 | V518 S519 E525 S526 | V518-R522 VanDerWaalsContact CG1-CZ 3.46Å; V518-R522 WeakPolarHBondContact O-CG 3.39Å; V518-R522 PolarHBondContact O-N 3.44Å; V518-R522 VanDerWaalsContact O-N 3.07Å; S519-R522 WeakPolarHBondContact O-CB 3.42Å; S519-R522 PolarHBondContact O-N 2.88Å; S519-R522 VanDerWaalsContact O-N 3.1Å; R522-E525 PolarHBondContact O-N 2.9Å; R522-S526 WeakPolarHBondContact O-CB 3.49Å; R522-S526 PolarHBondContact O-N 2.88Å |
| 523 | E | 94.3 | Very high | 91.6 | Very high | 117 Ų | 117 | 93.5 Ų | 93.5 | 55% | 0.547 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.5 | -74.8 | 177.2 | -165.7 | 0 | 0 | 111.6 | S519 L520 E525 S526 V527 | S519-E523 PolarHBondContact O-N 2.75Å; L520-E523 PolarHBondContact O-N 3.19Å; E523-E525 VanDerWaalsContact C-N 3.3Å; E523-E525 PolarHBondContact O-N 3.28Å; E523-S526 WeakPolarHBondContact O-CB 3.41Å; E523-S526 PolarHBondContact O-N 3.3Å; E523-V527 WeakPolarHBondContact O-CB 3.4Å; E523-V527 WeakPolarHBondContact O-CG2 3.36Å; E523-V527 PolarHBondContact O-N 2.91Å |
| 524 | V | 93 | Very high | 91.1 | Very high | 62 Ų | 62 | 93.3 Ų | 93.3 | 38% | 0.376 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L520 Q521 R528 | L520-V524 WeakPolarHBondContact O-CB 3.4Å; L520-V524 VanDerWaalsContact O-CG2 3.27Å; L520-V524 WeakPolarHBondContact O-CG2 3.31Å; L520-V524 PolarHBondContact O-N 2.86Å; Q521-V524 PolarHBondContact O-N 2.92Å; V524-R528 WeakPolarHBondContact O-CB 3.34Å; V524-R528 WeakPolarHBondContact O-CG 3.38Å; V524-R528 PolarHBondContact O-N 3.28Å |
| 525 | E | 90.9 | Very high | 90.5 | Very high | 104 Ų | 104 | 87.4 Ų | 87.4 | 49% | 0.486 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.3 | -74.4 | 172 | -167.7 | 0 | 0 | 111.8 | Q521 R522 E523 R528 A529 | Q521-E525 PolarHBondContact NE2-OE1 3.49Å; Q521-E525 WeakPolarHBondContact O-CB 3.37Å; Q521-E525 WeakPolarHBondContact O-CG 3.44Å; Q521-E525 PolarHBondContact O-N 3.42Å; R522-E525 PolarHBondContact O-N 2.9Å; E523-E525 VanDerWaalsContact C-N 3.3Å; E523-E525 PolarHBondContact O-N 3.28Å; E525-R528 PolarHBondContact O-N 3.46Å; E525-A529 WeakPolarHBondContact O-CB 3.05Å; E525-A529 PolarHBondContact O-N 3.46Å |
| 526 | S | 93.1 | Very high | 89.9 | Confident | 65 Ų | 65 | 86.1 Ų | 86.1 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.4 | -50.8 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 111.8 | R522 E523 R528 A529 D530 | R522-S526 WeakPolarHBondContact O-CB 3.49Å; R522-S526 PolarHBondContact O-N 2.88Å; E523-S526 WeakPolarHBondContact O-CB 3.41Å; E523-S526 PolarHBondContact O-N 3.3Å; S526-R528 VanDerWaalsContact C-N 3.3Å; S526-R528 PolarHBondContact O-N 2.84Å; S526-A529 WeakPolarHBondContact O-CB 3.38Å; S526-A529 PolarHBondContact O-N 2.87Å; S526-D530 PolarHBondContact O-N 3.36Å |
| 527 | V | 90 | Very high | 89.3 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 178.9 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | E523 D530 N531 | E523-V527 WeakPolarHBondContact O-CB 3.4Å; E523-V527 WeakPolarHBondContact O-CG2 3.36Å; E523-V527 PolarHBondContact O-N 2.91Å; V527-D530 PolarHBondContact O-N 2.94Å; V527-N531 WeakPolarHBondContact CG1-ND2 3.3Å; V527-N531 WeakPolarHBondContact O-CB 3.3Å; V527-N531 PolarHBondContact O-N 3.49Å; V527-N531 PolarHBondContact O-ND2 3.35Å |
| 528 | R | 87.6 | Confident | 88.6 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 172.9 | -77.7 | 175.3 | -175.5 | 175.7 | 4.9 | 111.9 | V524 E525 S526 V532 | V524-R528 WeakPolarHBondContact O-CB 3.34Å; V524-R528 WeakPolarHBondContact O-CG 3.38Å; V524-R528 PolarHBondContact O-N 3.28Å; E525-R528 PolarHBondContact O-N 3.46Å; S526-R528 VanDerWaalsContact C-N 3.3Å; S526-R528 PolarHBondContact O-N 2.84Å; R528-V532 VanDerWaalsContact O-CG2 3.31Å; R528-V532 WeakPolarHBondContact O-CG2 3.48Å; R528-V532 PolarHBondContact O-N 2.89Å; R528-V532 VanDerWaalsContact O-N 3.14Å |
| 529 | A | 86.5 | Confident | 87.7 | Confident | 47 Ų | 47 | 88.5 Ų | 88.5 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E525 S526 V532 K533 | E525-A529 WeakPolarHBondContact O-CB 3.05Å; E525-A529 PolarHBondContact O-N 3.46Å; S526-A529 WeakPolarHBondContact O-CB 3.38Å; S526-A529 PolarHBondContact O-N 2.87Å; A529-V532 PolarHBondContact O-N 3.36Å; A529-K533 WeakPolarHBondContact O-CG 3.32Å; A529-K533 PolarHBondContact O-N 3.43Å |
| 530 | D | 87.8 | Confident | 86.9 | Confident | 75 Ų | 75 | 92 Ų | 92 | 40% | 0.401 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.1 | -36 | 179.4 | -67 | -26.5 | 0 | 0 | 0 | 112.4 | S526 V527 V532 K533 L534 | S526-D530 PolarHBondContact O-N 3.36Å; V527-D530 PolarHBondContact O-N 2.94Å; D530-V532 VanDerWaalsContact C-N 3.28Å; D530-V532 PolarHBondContact O-N 3.47Å; D530-K533 PolarHBondContact O-N 2.93Å; D530-K533 IonicContact OD1-NZ 3.55Å; D530-K533 PolarHBondContact OD1-NZ 2.95Å; D530-L534 WeakPolarHBondContact O-CB 3.32Å; D530-L534 PolarHBondContact O-N 2.96Å |
| 531 | N | 87 | Confident | 86 | Confident | 53 Ų | 53 | 93 Ų | 93 | 28% | 0.283 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | 170.9 | -77.2 | -36.5 | 0 | 0 | 0 | 112.2 | V527 L534 Y535 Y587 | V527-N531 WeakPolarHBondContact CG1-ND2 3.3Å; V527-N531 WeakPolarHBondContact O-CB 3.3Å; V527-N531 PolarHBondContact O-N 3.49Å; V527-N531 PolarHBondContact O-ND2 3.35Å; N531-L534 PolarHBondContact O-N 2.79Å; N531-Y535 WeakPolarHBondContact O-CB 3.29Å; N531-Y535 PolarHBondContact O-N 2.85Å; N531-Y587 HydrophobicContact CB-CD1 4.05Å; N531-Y587 HydrophobicContact CB-CE1 3.58Å; N531-Y587 HydrophobicContact CB-CE2 4.2Å; N531-Y587 PolarHBondContact ND2-OH 3.34Å; N531-Y587 VanDerWaalsContact ND2-OH 3.1Å |
| 532 | V | 85.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 92.9 Ų | 92.9 | 6% | 0.061 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 175 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | R528 A529 D530 L534 Y535 E536 Y587 V590 Q594 | R528-V532 VanDerWaalsContact O-CG2 3.31Å; R528-V532 WeakPolarHBondContact O-CG2 3.48Å; R528-V532 PolarHBondContact O-N 2.89Å; R528-V532 VanDerWaalsContact O-N 3.14Å; A529-V532 PolarHBondContact O-N 3.36Å; D530-V532 VanDerWaalsContact C-N 3.28Å; D530-V532 PolarHBondContact O-N 3.47Å; V532-L534 VanDerWaalsContact C-N 3.32Å; V532-L534 PolarHBondContact O-N 2.85Å; V532-Y535 WeakPolarHBondContact O-CB 3.5Å; V532-Y535 PolarHBondContact O-N 2.92Å; V532-E536 PolarHBondContact O-N 3.35Å; V532-Y587 HydrophobicContact CG2-CD1 4.2Å; V532-V590 HydrophobicContact CG2-CB 4.3Å; V532-V590 HydrophobicContact CG2-CG1 3.6Å; V532-Q594 VanDerWaalsContact CG1-OE1 3.32Å |
| 533 | K | 86.7 | Confident | 83.8 | Confident | 109 Ų | 109 | 89 Ų | 89 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 174.6 | -67.4 | 174.1 | -164.8 | 153.6 | 0 | 112.5 | A529 D530 Y535 E536 K537 | A529-K533 WeakPolarHBondContact O-CG 3.32Å; A529-K533 PolarHBondContact O-N 3.43Å; D530-K533 PolarHBondContact O-N 2.93Å; D530-K533 IonicContact OD1-NZ 3.55Å; D530-K533 PolarHBondContact OD1-NZ 2.95Å; K533-Y535 VanDerWaalsContact C-N 3.35Å; K533-E536 WeakPolarHBondContact O-CB 3.4Å; K533-E536 PolarHBondContact O-N 3.32Å; K533-K537 WeakPolarHBondContact O-CG 3.41Å; K533-K537 PolarHBondContact O-N 3.41Å |
| 534 | L | 83.8 | Confident | 82.3 | Confident | 97 Ų | 97 | 91.6 Ų | 91.6 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 177.1 | -171.1 | 64.8 | 0 | 0 | 0 | 110.3 | D530 N531 V532 K537 I538 | D530-L534 WeakPolarHBondContact O-CB 3.32Å; D530-L534 PolarHBondContact O-N 2.96Å; N531-L534 PolarHBondContact O-N 2.79Å; V532-L534 VanDerWaalsContact C-N 3.32Å; V532-L534 PolarHBondContact O-N 2.85Å; L534-K537 PolarHBondContact O-N 2.88Å; L534-I538 HydrophobicContact CG-CD1 4.23Å; L534-I538 VanDerWaalsContact O-CG1 3.28Å; L534-I538 WeakPolarHBondContact O-CG1 3.35Å; L534-I538 PolarHBondContact O-N 3.37Å |
| 535 | Y | 82.3 | Confident | 80.5 | Confident | 28 Ų | 28 | 91.2 Ų | 91.2 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 172.6 | -172.6 | -93 | 0 | 0 | 0 | 112 | N531 V532 K533 K537 I538 R539 I584 S588 Y591 | N531-Y535 WeakPolarHBondContact O-CB 3.29Å; N531-Y535 PolarHBondContact O-N 2.85Å; V532-Y535 WeakPolarHBondContact O-CB 3.5Å; V532-Y535 PolarHBondContact O-N 2.92Å; K533-Y535 VanDerWaalsContact C-N 3.35Å; Y535-K537 PolarHBondContact O-N 3.45Å; Y535-I538 PolarHBondContact O-N 2.88Å; Y535-R539 HydrophobicContact CD1-CG 3.89Å; Y535-R539 HydrophobicContact CE1-CG 3.42Å; Y535-R539 VanDerWaalsContact CE1-CG 3.42Å; Y535-R539 WeakPolarHBondContact O-CG 3.34Å; Y535-R539 PolarHBondContact O-N 3.39Å; Y535-I584 HydrophobicContact CE2-CG2 3.91Å; Y535-S588 VanDerWaalsContact OH-CB 3.23Å; Y535-S588 WeakPolarHBondContact OH-CB 3.2Å; Y535-S588 PolarHBondContact OH-OG 2.93Å; Y535-Y591 AromaticContact CD1-CD1 3.83Å; Y535-Y591 HydrophobicContact CD1-CD1 3.83Å; Y535-Y591 HydrophobicContact CD1-CD2 4.26Å; Y535-Y591 HydrophobicContact CD1-CE1 4.49Å; Y535-Y591 AromaticContact CD1-CG 3.65Å; Y535-Y591 HydrophobicContact CD1-CG 3.65Å; Y535-Y591 AromaticContact CE1-CD1 3.6Å; Y535-Y591 HydrophobicContact CE1-CD1 3.6Å; Y535-Y591 HydrophobicContact CE1-CE1 4.27Å; Y535-Y591 AromaticContact CE1-CG 3.89Å; Y535-Y591 HydrophobicContact CE1-CG 3.89Å |
| 536 | E | 81.1 | Confident | 78.2 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 172.9 | 176.6 | 177.6 | -164.6 | 0 | 0 | 111.8 | V532 K533 I538 R539 F540 Y591 | V532-E536 PolarHBondContact O-N 3.35Å; K533-E536 WeakPolarHBondContact O-CB 3.4Å; K533-E536 PolarHBondContact O-N 3.32Å; E536-I538 PolarHBondContact O-N 2.91Å; E536-R539 PolarHBondContact O-N 3.49Å; E536-F540 WeakPolarHBondContact O-CB 3.38Å; E536-F540 PolarHBondContact O-N 3.45Å; E536-Y591 HydrophobicContact CB-CD2 4.04Å; E536-Y591 HydrophobicContact CB-CE2 3.49Å; E536-Y591 VanDerWaalsContact CB-CE2 3.49Å; E536-Y591 HydrophobicContact CG-CE2 3.67Å |
| 537 | K | 82.1 | Confident | 76 | Confident | 133 Ų | 133 | 93.6 Ų | 93.6 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 176.7 | -73.3 | 176.8 | -179.2 | -177.2 | 0 | 112 | K533 L534 Y535 F540 L541 | K533-K537 WeakPolarHBondContact O-CG 3.41Å; K533-K537 PolarHBondContact O-N 3.41Å; L534-K537 PolarHBondContact O-N 2.88Å; Y535-K537 PolarHBondContact O-N 3.45Å; K537-F540 PolarHBondContact O-N 2.93Å; K537-L541 WeakPolarHBondContact O-CB 3.4Å; K537-L541 WeakPolarHBondContact O-CD1 3.43Å; K537-L541 WeakPolarHBondContact O-CG 3.22Å; K537-L541 PolarHBondContact O-N 2.9Å |
| 538 | I | 79 | Confident | 73.7 | Confident | 92 Ų | 92 | 94.9 Ų | 94.9 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.7 | -69.4 | 165.3 | 0 | 0 | 0 | 110.3 | L534 Y535 E536 L541 H542 | L534-I538 HydrophobicContact CG-CD1 4.23Å; L534-I538 VanDerWaalsContact O-CG1 3.28Å; L534-I538 WeakPolarHBondContact O-CG1 3.35Å; L534-I538 PolarHBondContact O-N 3.37Å; Y535-I538 PolarHBondContact O-N 2.88Å; E536-I538 PolarHBondContact O-N 2.91Å; I538-L541 PolarHBondContact O-N 3.21Å; I538-H542 WeakPolarHBondContact O-CB 3.37Å; I538-H542 PolarHBondContact O-N 3.49Å |
| 539 | R | 75.5 | Confident | 71.5 | Confident | 120 Ų | 120 | 96 Ų | 96 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 177.2 | -70.9 | -61.4 | -64.7 | 176.8 | -5.5 | 112.2 | Y535 E536 H542 S543 Y591 | Y535-R539 HydrophobicContact CD1-CG 3.89Å; Y535-R539 HydrophobicContact CE1-CG 3.42Å; Y535-R539 VanDerWaalsContact CE1-CG 3.42Å; Y535-R539 WeakPolarHBondContact O-CG 3.34Å; Y535-R539 PolarHBondContact O-N 3.39Å; E536-R539 PolarHBondContact O-N 3.49Å; R539-H542 PolarHBondContact O-N 3.2Å; R539-S543 WeakPolarHBondContact O-CB 3.26Å; R539-S543 PolarHBondContact O-N 3.49Å; R539-Y591 HydrophobicContact CB-CE1 4.3Å; R539-Y591 HydrophobicContact CG-CE1 4.12Å |
| 540 | F | 76.4 | Confident | 69.3 | Low | 121 Ų | 121 | 100 Ų | 100 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 174.2 | -170.7 | -95.2 | 0 | 0 | 0 | 110.4 | E536 K537 H542 S543 Y544 | E536-F540 WeakPolarHBondContact O-CB 3.38Å; E536-F540 PolarHBondContact O-N 3.45Å; K537-F540 PolarHBondContact O-N 2.93Å; F540-H542 VanDerWaalsContact C-N 3.33Å; F540-H542 PolarHBondContact O-N 2.96Å; F540-S543 WeakPolarHBondContact O-CB 3.33Å; F540-S543 PolarHBondContact O-N 2.94Å; F540-S543 VanDerWaalsContact O-N 3.08Å; F540-S543 PolarHBondContact O-OG 2.84Å; F540-Y544 HydrophobicContact CD1-CD2 4.05Å; F540-Y544 AromaticContact CD1-CE2 3.95Å; F540-Y544 HydrophobicContact CD1-CE2 3.95Å; F540-Y544 HydrophobicContact CD2-CE2 4.12Å; F540-Y544 AromaticContact CE1-CD2 3.85Å; F540-Y544 HydrophobicContact CE1-CD2 3.85Å; F540-Y544 AromaticContact CE1-CE2 3.4Å; F540-Y544 HydrophobicContact CE1-CE2 3.4Å; F540-Y544 VanDerWaalsContact CE1-CE2 3.4Å; F540-Y544 AromaticContact CE2-CE2 3.61Å; F540-Y544 HydrophobicContact CE2-CE2 3.61Å; F540-Y544 HydrophobicContact CG-CE2 4.29Å; F540-Y544 HydrophobicContact CZ-CD2 4.13Å; F540-Y544 AromaticContact CZ-CE2 3.23Å; F540-Y544 HydrophobicContact CZ-CE2 3.23Å; F540-Y544 AromaticContact CZ-CZ 3.85Å; F540-Y544 WeakPolarHBondContact O-CD2 3.34Å; F540-Y544 PolarHBondContact O-N 2.93Å |
| 541 | L | 75.3 | Confident | 67 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.4 | -43.5 | 175.6 | -78.5 | 156.1 | 0 | 0 | 0 | 112.5 | K537 I538 S543 Y544 G545 | K537-L541 WeakPolarHBondContact O-CB 3.4Å; K537-L541 WeakPolarHBondContact O-CD1 3.43Å; K537-L541 WeakPolarHBondContact O-CG 3.22Å; K537-L541 PolarHBondContact O-N 2.9Å; I538-L541 PolarHBondContact O-N 3.21Å; L541-S543 VanDerWaalsContact C-N 3.27Å; L541-S543 PolarHBondContact O-N 3.37Å; L541-Y544 PolarHBondContact O-N 2.89Å; L541-G545 PolarHBondContact O-N 3.44Å; L541-G545 VanDerWaalsContact O-N 3.08Å |
| 542 | H | 71.2 | Confident | 64.4 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 52% | 0.519 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -28.2 | 178.6 | -147.4 | 79.2 | 0 | 0 | 0 | 112.8 | I538 R539 F540 G545 | I538-H542 WeakPolarHBondContact O-CB 3.37Å; I538-H542 PolarHBondContact O-N 3.49Å; R539-H542 PolarHBondContact O-N 3.2Å; F540-H542 VanDerWaalsContact C-N 3.33Å; F540-H542 PolarHBondContact O-N 2.96Å; H542-G545 PolarHBondContact O-N 2.9Å |
| 543 | S | 70.3 | Confident | 61.9 | Low | 81 Ų | 81 | 118 Ų | 118 | 57% | 0.566 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.3 | -29.5 | 175.5 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | R539 F540 L541 | R539-S543 WeakPolarHBondContact O-CB 3.26Å; R539-S543 PolarHBondContact O-N 3.49Å; F540-S543 WeakPolarHBondContact O-CB 3.33Å; F540-S543 PolarHBondContact O-N 2.94Å; F540-S543 VanDerWaalsContact O-N 3.08Å; F540-S543 PolarHBondContact O-OG 2.84Å; L541-S543 VanDerWaalsContact C-N 3.27Å; L541-S543 PolarHBondContact O-N 3.37Å |
| 544 | Y | 63.6 | Low | 59.3 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -84.8 | -22.1 | 173.2 | -76.5 | -88 | 0 | 0 | 0 | 113.1 | F540 L541 N546 | F540-Y544 HydrophobicContact CD1-CD2 4.05Å; F540-Y544 AromaticContact CD1-CE2 3.95Å; F540-Y544 HydrophobicContact CD1-CE2 3.95Å; F540-Y544 HydrophobicContact CD2-CE2 4.12Å; F540-Y544 AromaticContact CE1-CD2 3.85Å; F540-Y544 HydrophobicContact CE1-CD2 3.85Å; F540-Y544 AromaticContact CE1-CE2 3.4Å; F540-Y544 HydrophobicContact CE1-CE2 3.4Å; F540-Y544 VanDerWaalsContact CE1-CE2 3.4Å; F540-Y544 AromaticContact CE2-CE2 3.61Å; F540-Y544 HydrophobicContact CE2-CE2 3.61Å; F540-Y544 HydrophobicContact CG-CE2 4.29Å; F540-Y544 HydrophobicContact CZ-CD2 4.13Å; F540-Y544 AromaticContact CZ-CE2 3.23Å; F540-Y544 HydrophobicContact CZ-CE2 3.23Å; F540-Y544 AromaticContact CZ-CZ 3.85Å; F540-Y544 WeakPolarHBondContact O-CD2 3.34Å; F540-Y544 PolarHBondContact O-N 2.93Å; L541-Y544 PolarHBondContact O-N 2.89Å; Y544-N546 PolarHBondContact O-N 2.82Å |
| 545 | G | 54.6 | Low | 56.7 | Low | 53 Ų | 53 | 122.3 Ų | 122.3 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -81.7 | -5.9 | -172 | 0 | 0 | 0 | 0 | 0 | 116.8 | L541 H542 P547 | L541-G545 PolarHBondContact O-N 3.44Å; L541-G545 VanDerWaalsContact O-N 3.08Å; H542-G545 PolarHBondContact O-N 2.9Å; G545-P547 WeakPolarHBondContact O-CD 3.41Å |
| 546 | N | 42.7 | Very low | 54.5 | Low | 109 Ų | 109 | 128.9 Ų | 128.9 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | trans | -121.4 | 88 | -178.6 | -84.1 | -38.8 | 0 | 0 | 0 | 111.6 | Y544 V548 | Y544-N546 PolarHBondContact O-N 2.82Å; N546-V548 PolarHBondContact O-N 3.21Å; N546-V548 VanDerWaalsContact O-N 3.08Å | ||
| 547 | P | 46.5 | Very low | 52.1 | Low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 66% | 0.662 | S | S | * | * | trans | -60.8 | 114.5 | 158 | 26.4 | -30.4 | 0 | 0 | 0 | 107.6 | G545 I549 | G545-P547 WeakPolarHBondContact O-CD 3.41Å; P547-I549 PolarHBondContact O-N 3.44Å | ||
| 548 | V | 43.2 | Very low | 49.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | trans | -41.3 | 100 | 176 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | N546 Q550 | N546-V548 PolarHBondContact O-N 3.21Å; N546-V548 VanDerWaalsContact O-N 3.08Å; V548-Q550 HydrophobicContact CG1-CB 3.58Å; V548-Q550 HydrophobicContact CG1-CG 3.33Å; V548-Q550 PolarHBondContact O-N 2.93Å | ||
| 549 | I | 41.3 | Very low | 47.6 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | trans | -73.2 | 72.6 | 157 | -58.5 | 170.5 | 0 | 0 | 0 | 105.4 | P547 N551 | P547-I549 PolarHBondContact O-N 3.44Å; I549-N551 PolarHBondContact O-N 2.68Å; I549-N551 VanDerWaalsContact O-N 3.1Å | ||
| 550 | Q | 39.5 | Very low | 45.5 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 61% | 0.612 | 70% | 0.703 | S | S | * | * | trans | -74.1 | 101 | 164.9 | -104.1 | 172.9 | 5.1 | 0 | 0 | 106.2 | V548 R552 | V548-Q550 HydrophobicContact CG1-CB 3.58Å; V548-Q550 HydrophobicContact CG1-CG 3.33Å; V548-Q550 PolarHBondContact O-N 2.93Å; Q550-R552 PolarHBondContact O-N 3.15Å | ||
| 551 | N | 38.5 | Very low | 43.4 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | -43.3 | 79.5 | 149.1 | -98.2 | -21.9 | 0 | 0 | 0 | 109.9 | I549 Q553 | I549-N551 PolarHBondContact O-N 2.68Å; I549-N551 VanDerWaalsContact O-N 3.1Å; N551-Q553 VanDerWaalsContact C-N 3.28Å; N551-Q553 PolarHBondContact O-N 2.83Å | ||
| 552 | R | 33.1 | Very low | 41.5 | Very low | 200 Ų | 200 | 135 Ų | 135 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -89.1 | 81.6 | 156.3 | -76.2 | -169.5 | -169.3 | -176.5 | 4 | 106.5 | Q550 N554 | Q550-R552 PolarHBondContact O-N 3.15Å; R552-N554 PolarHBondContact O-N 3.44Å | ||
| 553 | Q | 33.6 | Very low | 39.6 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -56.8 | 93.6 | 151.5 | -74.2 | 173.5 | -39.5 | 0 | 0 | 107 | N551 | N551-Q553 VanDerWaalsContact C-N 3.28Å; N551-Q553 PolarHBondContact O-N 2.83Å | ||
| 554 | N | 32.7 | Very low | 37.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -138.8 | 94.9 | 161.8 | -99.9 | -10.3 | 0 | 0 | 0 | 108.1 | R552 L556 | R552-N554 PolarHBondContact O-N 3.44Å; N554-L556 PolarHBondContact O-N 2.97Å | ||
| 555 | N | 29.5 | Very low | 36.2 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -10.8 | 110.3 | 150.2 | -73.8 | -31.4 | 0 | 0 | 0 | 114.3 | ||||
| 556 | L | 34.8 | Very low | 35 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -142.3 | 105.9 | 140.4 | -89.8 | 122.8 | 0 | 0 | 0 | 108.4 | N554 | N554-L556 PolarHBondContact O-N 2.97Š| ||
| 557 | S | 32.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -28.4 | 120.6 | 154.8 | 47.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 558 | N | 34.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -176 | 104.8 | 131.8 | -101.6 | -6 | 0 | 0 | 0 | 108.3 | ||||
| 559 | Q | 30.7 | Very low | 33.2 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | 54.2 | 87.5 | 104.1 | -68.9 | -171 | 23.9 | 0 | 0 | 113.8 | |||||
| 560 | H | 32 | Very low | 32.6 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | -167 | 127.8 | 117.3 | -120.6 | -83.3 | 0 | 0 | 0 | 111.3 | |||||
| 561 | P | 32.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -94.6 | 119.1 | 178.2 | 33.2 | -27 | 0 | 0 | 0 | 110.9 | ||||
| 562 | S | 34.5 | Very low | 32 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -147.9 | 109.3 | 162.5 | -70.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 563 | S | 31.1 | Very low | 32.3 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 61.2 | 117.9 | 150.2 | -59.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 564 | P | 31.7 | Very low | 32.3 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -84.4 | 122.7 | 175.7 | 32.9 | -29.1 | 0 | 0 | 0 | 111.4 | ||||
| 565 | V | 31.5 | Very low | 32.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -118.2 | 95.9 | 155.9 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | T567 | V565-T567 PolarHBondContact O-N 2.9Å; V565-T567 VanDerWaalsContact O-N 3.15Å | ||
| 566 | T | 28 | Very low | 33 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -68.6 | 93.8 | 170.2 | 44.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 567 | T | 33.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | trans | -113.3 | 86.2 | 155.3 | -50.8 | 0 | 0 | 0 | 0 | 107.1 | V565 L569 | V565-T567 PolarHBondContact O-N 2.9Å; V565-T567 VanDerWaalsContact O-N 3.15Å; T567-L569 VanDerWaalsContact C-N 3.3Å; T567-L569 PolarHBondContact O-N 3.41Å | ||
| 568 | S | 30.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -61.8 | 86.8 | 170.9 | 53.2 | 0 | 0 | 0 | 0 | 110 | S570 | S568-S570 PolarHBondContact O-N 2.76Š| ||
| 569 | L | 31.1 | Very low | 34.3 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -79.2 | 86.3 | 155.1 | -82.6 | 140.1 | 0 | 0 | 0 | 106.5 | T567 P571 | T567-L569 VanDerWaalsContact C-N 3.3Å; T567-L569 PolarHBondContact O-N 3.41Å; L569-P571 WeakPolarHBondContact O-CD 3.41Å | ||
| 570 | S | 29.1 | Very low | 35.2 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -52.5 | 118.4 | 166.9 | -66.7 | 0 | 0 | 0 | 0 | 108.6 | S568 S572 | S568-S570 PolarHBondContact O-N 2.76Å; S570-S572 VanDerWaalsContact C-N 3.3Å; S570-S572 PolarHBondContact O-N 3.42Å | ||
| 571 | P | 38 | Very low | 36.6 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -76.8 | 92 | 169.9 | 30.9 | -26.7 | 0 | 0 | 0 | 105.8 | L569 P573 | L569-P571 WeakPolarHBondContact O-CD 3.41Å; P571-P573 WeakPolarHBondContact O-CD 3.32Å; P571-P573 VanDerWaalsContact O-N 3.12Å | ||
| 572 | S | 27.9 | Very low | 38.6 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -57.3 | 114.3 | 166.5 | 38.3 | 0 | 0 | 0 | 0 | 107.7 | S570 F574 | S570-S572 VanDerWaalsContact C-N 3.3Å; S570-S572 PolarHBondContact O-N 3.42Å; S572-F574 PolarHBondContact O-N 2.79Å; S572-F574 VanDerWaalsContact O-N 3.17Å | ||
| 573 | P | 38.5 | Very low | 40.5 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | trans | -66.7 | 118.6 | 175.3 | -6 | 21.6 | 0 | 0 | 0 | 106 | P571 Q575 | P571-P573 WeakPolarHBondContact O-CD 3.32Å; P571-P573 VanDerWaalsContact O-N 3.12Å; P573-Q575 VanDerWaalsContact C-N 3.33Å; P573-Q575 PolarHBondContact O-N 3.42Å | ||
| 574 | F | 34.5 | Very low | 42.7 | Very low | 189 Ų | 189 | 122.8 Ų | 122.8 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -54 | 105.3 | 165.1 | -75.1 | -85.8 | 0 | 0 | 0 | 107.2 | S572 N576 | S572-F574 PolarHBondContact O-N 2.79Å; S572-F574 VanDerWaalsContact O-N 3.17Å; F574-N576 VanDerWaalsContact C-N 3.27Å; F574-N576 PolarHBondContact O-N 3.25Å | ||
| 575 | Q | 36.4 | Very low | 44.9 | Very low | 185 Ų | 185 | 121.2 Ų | 121.2 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | trans | -58.2 | 97.7 | 166.8 | -78.4 | 174.1 | -25.5 | 0 | 0 | 106 | P573 H577 | P573-Q575 VanDerWaalsContact C-N 3.33Å; P573-Q575 PolarHBondContact O-N 3.42Å; Q575-H577 PolarHBondContact O-N 2.9Å | ||
| 576 | N | 40.6 | Very low | 47.3 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 81% | 0.807 | 68% | 0.676 | S | S | * | * | trans | -61.3 | 110.8 | 170.8 | -80.4 | -41.8 | 0 | 0 | 0 | 107.2 | F574 E578 | F574-N576 VanDerWaalsContact C-N 3.27Å; F574-N576 PolarHBondContact O-N 3.25Å; N576-E578 PolarHBondContact O-N 3.24Å | ||
| 577 | H | 41.2 | Very low | 49.8 | Very low | 162 Ų | 162 | 116.6 Ų | 116.6 | 75% | 0.75 | 65% | 0.647 | S | S | * | * | trans | -40.3 | 115.7 | 175.1 | -114.7 | -96.8 | 0 | 0 | 0 | 111.8 | Q575 S579 | Q575-H577 PolarHBondContact O-N 2.9Å; H577-S579 PolarHBondContact O-N 3.36Å | ||
| 578 | E | 40.7 | Very low | 52 | Low | 190 Ų | 190 | 112.4 Ų | 112.4 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 4.9 | 179.9 | -86.7 | 177.3 | 136.2 | 0 | 0 | 115.8 | N576 | N576-E578 PolarHBondContact O-N 3.24Š|
| 579 | S | 47.5 | Very low | 54.4 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -1.8 | -172.1 | 58.1 | 0 | 0 | 0 | 0 | 115.5 | H577 | H577-S579 PolarHBondContact O-N 3.36Š|
| 580 | N | 49.9 | Very low | 56.8 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -105.5 | 0.6 | -173.6 | -77.6 | -24.7 | 0 | 0 | 0 | 116.3 | I584 | N580-I584 HydrophobicContact CB-CD1 3.9Å; N580-I584 WeakPolarHBondContact O-CB 3.49Å; N580-I584 VanDerWaalsContact O-CD1 3.31Å; N580-I584 WeakPolarHBondContact O-CD1 3.45Å; N580-I584 WeakPolarHBondContact O-CG1 3.35Å |
| 581 | D | 60.4 | Low | 59.2 | Low | 103 Ų | 103 | 106 Ų | 106 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.1 | -38.7 | -168.2 | -86.1 | -13.5 | 0 | 0 | 0 | 115 | T583 I584 I585 | D581-T583 PolarHBondContact O-N 2.89Å; D581-I584 PolarHBondContact O-N 3.22Å; D581-I585 HydrophobicContact CB-CD1 4.01Å; D581-I585 VanDerWaalsContact O-CB 3.3Å; D581-I585 WeakPolarHBondContact O-CB 3.28Å; D581-I585 WeakPolarHBondContact O-CD1 3.14Å; D581-I585 WeakPolarHBondContact O-CG1 3.38Å; D581-I585 PolarHBondContact O-N 2.99Å |
| 582 | A | 73.7 | Confident | 61.2 | Low | 83 Ų | 83 | 106 Ų | 106 | 69% | 0.686 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.1 | -42.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K586 | A582-K586 WeakPolarHBondContact O-CB 3.4Å; A582-K586 PolarHBondContact O-N 3.47Å; A582-K586 VanDerWaalsContact O-N 3.08Å |
| 583 | T | 75.8 | Confident | 63.5 | Low | 81 Ų | 81 | 103.9 Ų | 103.9 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 176.8 | 19.4 | 0 | 0 | 0 | 0 | 111.5 | D581 K586 Y587 | D581-T583 PolarHBondContact O-N 2.89Å; T583-K586 PolarHBondContact O-N 2.87Å; T583-Y587 WeakPolarHBondContact O-CD2 3.44Å; T583-Y587 PolarHBondContact O-N 3.44Å; T583-Y587 VanDerWaalsContact O-N 3.08Å |
| 584 | I | 76.4 | Confident | 65.1 | Low | 77 Ų | 77 | 104.4 Ų | 104.4 | 40% | 0.395 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.1 | -67.6 | 177 | 0 | 0 | 0 | 110.4 | Y535 N580 D581 K586 Y587 S588 | Y535-I584 HydrophobicContact CE2-CG2 3.91Å; N580-I584 HydrophobicContact CB-CD1 3.9Å; N580-I584 WeakPolarHBondContact O-CB 3.49Å; N580-I584 VanDerWaalsContact O-CD1 3.31Å; N580-I584 WeakPolarHBondContact O-CD1 3.45Å; N580-I584 WeakPolarHBondContact O-CG1 3.35Å; D581-I584 PolarHBondContact O-N 3.22Å; I584-K586 VanDerWaalsContact C-N 3.33Å; I584-K586 PolarHBondContact O-N 3.48Å; I584-Y587 PolarHBondContact O-N 2.95Å; I584-S588 WeakPolarHBondContact O-CB 3.43Å; I584-S588 PolarHBondContact O-N 2.85Å |
| 585 | I | 78.6 | Confident | 67 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 43% | 0.431 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.1 | -69 | 163.3 | 0 | 0 | 0 | 110.6 | D581 S588 Q589 | D581-I585 HydrophobicContact CB-CD1 4.01Å; D581-I585 VanDerWaalsContact O-CB 3.3Å; D581-I585 WeakPolarHBondContact O-CB 3.28Å; D581-I585 WeakPolarHBondContact O-CD1 3.14Å; D581-I585 WeakPolarHBondContact O-CG1 3.38Å; D581-I585 PolarHBondContact O-N 2.99Å; I585-S588 WeakPolarHBondContact O-CB 3.39Å; I585-S588 PolarHBondContact O-N 2.84Å; I585-Q589 WeakPolarHBondContact O-CG 3.49Å; I585-Q589 PolarHBondContact O-N 2.95Å |
| 586 | K | 81.4 | Confident | 68.8 | Low | 114 Ų | 114 | 94.6 Ų | 94.6 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 177.9 | -178.4 | -178.7 | 177.9 | -178.6 | 0 | 112 | A582 T583 I584 V590 | A582-K586 WeakPolarHBondContact O-CB 3.4Å; A582-K586 PolarHBondContact O-N 3.47Å; A582-K586 VanDerWaalsContact O-N 3.08Å; T583-K586 PolarHBondContact O-N 2.87Å; I584-K586 VanDerWaalsContact C-N 3.33Å; I584-K586 PolarHBondContact O-N 3.48Å; K586-V590 WeakPolarHBondContact O-CG2 3.36Å; K586-V590 PolarHBondContact O-N 3.46Å |
| 587 | Y | 81 | Confident | 70.3 | Confident | 51 Ų | 51 | 91.7 Ų | 91.7 | 20% | 0.2 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -73.9 | -31.5 | 179.3 | -68.1 | -62.4 | 0 | 0 | 0 | 112.5 | N531 V532 T583 I584 V590 Y591 | N531-Y587 HydrophobicContact CB-CD1 4.05Å; N531-Y587 HydrophobicContact CB-CE1 3.58Å; N531-Y587 HydrophobicContact CB-CE2 4.2Å; N531-Y587 PolarHBondContact ND2-OH 3.34Å; N531-Y587 VanDerWaalsContact ND2-OH 3.1Å; V532-Y587 HydrophobicContact CG2-CD1 4.2Å; T583-Y587 WeakPolarHBondContact O-CD2 3.44Å; T583-Y587 PolarHBondContact O-N 3.44Å; T583-Y587 VanDerWaalsContact O-N 3.08Å; I584-Y587 PolarHBondContact O-N 2.95Å; Y587-V590 PolarHBondContact O-N 3.29Å; Y587-Y591 WeakPolarHBondContact O-CB 3.42Å; Y587-Y591 PolarHBondContact O-N 2.79Å |
| 588 | S | 80.1 | Confident | 71.9 | Confident | 19 Ų | 19 | 90.9 Ų | 90.9 | 13% | 0.133 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -57.5 | -50 | 171 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | Y535 I584 I585 V590 Y591 E592 | Y535-S588 VanDerWaalsContact OH-CB 3.23Å; Y535-S588 WeakPolarHBondContact OH-CB 3.2Å; Y535-S588 PolarHBondContact OH-OG 2.93Å; I584-S588 WeakPolarHBondContact O-CB 3.43Å; I584-S588 PolarHBondContact O-N 2.85Å; I585-S588 WeakPolarHBondContact O-CB 3.39Å; I585-S588 PolarHBondContact O-N 2.84Å; S588-V590 VanDerWaalsContact C-N 3.3Å; S588-V590 PolarHBondContact O-N 3.17Å; S588-Y591 PolarHBondContact O-N 3.47Å; S588-E592 WeakPolarHBondContact O-CB 3.49Å; S588-E592 WeakPolarHBondContact O-CG 3.31Å; S588-E592 PolarHBondContact O-N 3.42Å |
| 589 | Q | 80.4 | Confident | 73.5 | Confident | 122 Ų | 122 | 85.1 Ų | 85.1 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.9 | -38.4 | 176.8 | -73 | 174.8 | 1.1 | 0 | 0 | 112.3 | I585 A593 | I585-Q589 WeakPolarHBondContact O-CG 3.49Å; I585-Q589 PolarHBondContact O-N 2.95Å; Q589-A593 WeakPolarHBondContact O-CB 3.24Å; Q589-A593 PolarHBondContact O-N 2.9Å |
| 590 | V | 80.6 | Confident | 74.8 | Confident | 63 Ų | 63 | 86.3 Ų | 86.3 | 38% | 0.382 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | V532 K586 Y587 S588 A593 Q594 | V532-V590 HydrophobicContact CG2-CB 4.3Å; V532-V590 HydrophobicContact CG2-CG1 3.6Å; K586-V590 WeakPolarHBondContact O-CG2 3.36Å; K586-V590 PolarHBondContact O-N 3.46Å; Y587-V590 PolarHBondContact O-N 3.29Å; S588-V590 VanDerWaalsContact C-N 3.3Å; S588-V590 PolarHBondContact O-N 3.17Å; V590-A593 PolarHBondContact O-N 3.25Å; V590-Q594 PolarHBondContact O-N 2.91Å; V590-Q594 VanDerWaalsContact O-N 3.09Å |
| 591 | Y | 80.2 | Confident | 76.2 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 15% | 0.153 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.9 | -48.3 | 177.2 | 175 | -105.9 | 0 | 0 | 0 | 112.1 | Y535 E536 R539 Y587 S588 A593 Q594 L595 | Y535-Y591 AromaticContact CD1-CD1 3.83Å; Y535-Y591 HydrophobicContact CD1-CD1 3.83Å; Y535-Y591 HydrophobicContact CD1-CD2 4.26Å; Y535-Y591 HydrophobicContact CD1-CE1 4.49Å; Y535-Y591 AromaticContact CD1-CG 3.65Å; Y535-Y591 HydrophobicContact CD1-CG 3.65Å; Y535-Y591 AromaticContact CE1-CD1 3.6Å; Y535-Y591 HydrophobicContact CE1-CD1 3.6Å; Y535-Y591 HydrophobicContact CE1-CE1 4.27Å; Y535-Y591 AromaticContact CE1-CG 3.89Å; Y535-Y591 HydrophobicContact CE1-CG 3.89Å; E536-Y591 HydrophobicContact CB-CD2 4.04Å; E536-Y591 HydrophobicContact CB-CE2 3.49Å; E536-Y591 VanDerWaalsContact CB-CE2 3.49Å; E536-Y591 HydrophobicContact CG-CE2 3.67Å; R539-Y591 HydrophobicContact CB-CE1 4.3Å; R539-Y591 HydrophobicContact CG-CE1 4.12Å; Y587-Y591 WeakPolarHBondContact O-CB 3.42Å; Y587-Y591 PolarHBondContact O-N 2.79Å; S588-Y591 PolarHBondContact O-N 3.47Å; Y591-A593 VanDerWaalsContact C-N 3.27Å; Y591-A593 PolarHBondContact O-N 2.89Å; Y591-Q594 WeakPolarHBondContact O-CB 3.31Å; Y591-Q594 PolarHBondContact O-N 2.83Å; Y591-L595 HydrophobicContact CD1-CD1 3.88Å; Y591-L595 HydrophobicContact CD2-CD1 4.17Å; Y591-L595 HydrophobicContact CE1-CD1 3.22Å; Y591-L595 HydrophobicContact CE2-CD1 3.52Å; Y591-L595 HydrophobicContact CG-CD1 4.33Å; Y591-L595 PolarHBondContact O-N 3.42Å; Y591-L595 VanDerWaalsContact OH-CD1 3.23Å; Y591-L595 WeakPolarHBondContact OH-CD1 3.26Å |
| 592 | E | 78.9 | Confident | 77.1 | Confident | 118 Ų | 118 | 84.1 Ų | 84.1 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.3 | -38.7 | 175.3 | -73.2 | -176.8 | 175.9 | 0 | 0 | 111.5 | S588 Q594 L595 N596 | S588-E592 WeakPolarHBondContact O-CB 3.49Å; S588-E592 WeakPolarHBondContact O-CG 3.31Å; S588-E592 PolarHBondContact O-N 3.42Å; E592-Q594 VanDerWaalsContact C-N 3.29Å; E592-Q594 PolarHBondContact O-N 3.47Å; E592-L595 PolarHBondContact O-N 3.46Å; E592-N596 WeakPolarHBondContact O-CB 3.25Å; E592-N596 PolarHBondContact O-N 2.86Å |
| 593 | A | 75.8 | Confident | 77.4 | Confident | 48 Ų | 48 | 89.4 Ų | 89.4 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.5 | -32.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q589 V590 Y591 N599 | Q589-A593 WeakPolarHBondContact O-CB 3.24Å; Q589-A593 PolarHBondContact O-N 2.9Å; V590-A593 PolarHBondContact O-N 3.25Å; Y591-A593 VanDerWaalsContact C-N 3.27Å; Y591-A593 PolarHBondContact O-N 2.89Å; A593-N599 WeakPolarHBondContact O-CB 3.44Å; A593-N599 PolarHBondContact O-ND2 2.81Å |
| 594 | Q | 73.9 | Confident | 77.5 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 59% | 0.589 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -75.5 | -39.7 | 175.1 | -78 | -177.5 | -12.6 | 0 | 0 | 112.8 | V532 V590 Y591 E592 | V532-Q594 VanDerWaalsContact CG1-OE1 3.32Å; V590-Q594 PolarHBondContact O-N 2.91Å; V590-Q594 VanDerWaalsContact O-N 3.09Å; Y591-Q594 WeakPolarHBondContact O-CB 3.31Å; Y591-Q594 PolarHBondContact O-N 2.83Å; E592-Q594 VanDerWaalsContact C-N 3.29Å; E592-Q594 PolarHBondContact O-N 3.47Å |
| 595 | L | 72.5 | Confident | 77.8 | Confident | 103 Ų | 103 | 92.8 Ų | 92.8 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.3 | -29.1 | -178.6 | -110.5 | 151 | 0 | 0 | 0 | 113.8 | Y591 E592 P597 | Y591-L595 HydrophobicContact CD1-CD1 3.88Å; Y591-L595 HydrophobicContact CD2-CD1 4.17Å; Y591-L595 HydrophobicContact CE1-CD1 3.22Å; Y591-L595 HydrophobicContact CE2-CD1 3.52Å; Y591-L595 HydrophobicContact CG-CD1 4.33Å; Y591-L595 PolarHBondContact O-N 3.42Å; Y591-L595 VanDerWaalsContact OH-CD1 3.23Å; Y591-L595 WeakPolarHBondContact OH-CD1 3.26Å; E592-L595 PolarHBondContact O-N 3.46Å; L595-P597 WeakPolarHBondContact O-CD 3.26Å |
| 596 | N | 74.8 | Confident | 77.9 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 35% | 0.348 | 46% | 0.455 | S | S | . | . | trans | -61.1 | 109.1 | -177 | -171.4 | -17.6 | 0 | 0 | 0 | 110.1 | E592 F598 N599 | E592-N596 WeakPolarHBondContact O-CB 3.25Å; E592-N596 PolarHBondContact O-N 2.86Å; N596-F598 PolarHBondContact O-N 3.36Å; N596-F598 VanDerWaalsContact O-N 3.08Å; N596-F598 VanDerWaalsContact OD1-CB 3.31Å; N596-F598 WeakPolarHBondContact OD1-CB 3.33Å; N596-F598 WeakPolarHBondContact OD1-CD2 3.37Å; N596-F598 PolarHBondContact OD1-N 3.49Å; N596-N599 HydrophobicContact CB-CB 4.4Å; N596-N599 WeakPolarHBondContact O-CB 3.49Å; N596-N599 PolarHBondContact O-N 3.44Å | ||
| 597 | P | 71.9 | Confident | 78 | Confident | 89 Ų | 89 | 95.5 Ų | 95.5 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -25.1 | -177 | 26 | -34.2 | 0 | 0 | 0 | 111.2 | L595 N599 Q600 F601 | L595-P597 WeakPolarHBondContact O-CD 3.26Å; P597-N599 VanDerWaalsContact C-N 3.32Å; P597-N599 PolarHBondContact O-N 3.19Å; P597-Q600 PolarHBondContact O-N 2.81Å; P597-F601 VanDerWaalsContact O-CB 3.23Å; P597-F601 WeakPolarHBondContact O-CB 3.38Å; P597-F601 PolarHBondContact O-N 3.47Å |
| 598 | F | 75.2 | Confident | 78 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.5 | -24.3 | 175.3 | -61.8 | -73.4 | 0 | 0 | 0 | 113.2 | N596 S602 | N596-F598 PolarHBondContact O-N 3.36Å; N596-F598 VanDerWaalsContact O-N 3.08Å; N596-F598 VanDerWaalsContact OD1-CB 3.31Å; N596-F598 WeakPolarHBondContact OD1-CB 3.33Å; N596-F598 WeakPolarHBondContact OD1-CD2 3.37Å; N596-F598 PolarHBondContact OD1-N 3.49Å; F598-S602 WeakPolarHBondContact O-CA 3.4Å; F598-S602 WeakPolarHBondContact O-CB 3.42Å; F598-S602 PolarHBondContact O-N 2.8Å |
| 599 | N | 73.7 | Confident | 78.1 | Confident | 69 Ų | 69 | 103 Ų | 103 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.4 | -44 | 174.2 | -88.4 | -27.6 | 0 | 0 | 0 | 111.1 | A593 N596 P597 S602 R603 | A593-N599 WeakPolarHBondContact O-CB 3.44Å; A593-N599 PolarHBondContact O-ND2 2.81Å; N596-N599 HydrophobicContact CB-CB 4.4Å; N596-N599 WeakPolarHBondContact O-CB 3.49Å; N596-N599 PolarHBondContact O-N 3.44Å; P597-N599 VanDerWaalsContact C-N 3.32Å; P597-N599 PolarHBondContact O-N 3.19Å; N599-S602 PolarHBondContact O-N 3.37Å; N599-R603 WeakPolarHBondContact O-CB 3.49Å; N599-R603 WeakPolarHBondContact O-CG 3.38Å; N599-R603 PolarHBondContact O-N 3.13Å |
| 600 | Q | 75.6 | Confident | 78.2 | Confident | 114 Ų | 114 | 101.4 Ų | 101.4 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 175.8 | -160.8 | -178.1 | 5.3 | 0 | 0 | 110.4 | P597 R603 Y604 | P597-Q600 PolarHBondContact O-N 2.81Å; Q600-R603 PolarHBondContact O-N 2.77Å; Q600-Y604 HydrophobicContact CG-CD2 3.94Å; Q600-Y604 HydrophobicContact CG-CE2 3.52Å; Q600-Y604 WeakPolarHBondContact O-CD2 3.36Å; Q600-Y604 PolarHBondContact O-N 3.37Å |
| 601 | F | 79.1 | Confident | 78.2 | Confident | 121 Ų | 121 | 106.1 Ų | 106.1 | 53% | 0.531 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 173.3 | -178.7 | -97.2 | 0 | 0 | 0 | 112 | P597 R603 Y604 E605 | P597-F601 VanDerWaalsContact O-CB 3.23Å; P597-F601 WeakPolarHBondContact O-CB 3.38Å; P597-F601 PolarHBondContact O-N 3.47Å; F601-R603 VanDerWaalsContact C-N 3.29Å; F601-R603 PolarHBondContact O-N 3.18Å; F601-Y604 PolarHBondContact O-N 2.92Å; F601-E605 HydrophobicContact CE1-CB 4.37Å; F601-E605 VanDerWaalsContact O-CB 3.26Å; F601-E605 WeakPolarHBondContact O-CB 3.41Å; F601-E605 PolarHBondContact O-N 3.43Å |
| 602 | S | 79.4 | Confident | 78.5 | Confident | 34 Ų | 34 | 111.2 Ų | 111.2 | 24% | 0.238 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62 | -36.6 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | F598 N599 K606 | F598-S602 WeakPolarHBondContact O-CA 3.4Å; F598-S602 WeakPolarHBondContact O-CB 3.42Å; F598-S602 PolarHBondContact O-N 2.8Å; N599-S602 PolarHBondContact O-N 3.37Å; S602-K606 WeakPolarHBondContact O-CB 3.48Å; S602-K606 WeakPolarHBondContact O-CD 3.33Å; S602-K606 WeakPolarHBondContact O-CG 3.32Å; S602-K606 PolarHBondContact O-N 3.09Å; S602-K606 WeakPolarHBondContact OG-CE 3.36Å |
| 603 | R | 80 | Confident | 78.7 | Confident | 195 Ų | 195 | 107 Ų | 107 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 173.3 | -77.5 | 179.2 | 171 | -166.9 | -1.5 | 111.8 | N599 Q600 F601 Q607 | N599-R603 WeakPolarHBondContact O-CB 3.49Å; N599-R603 WeakPolarHBondContact O-CG 3.38Å; N599-R603 PolarHBondContact O-N 3.13Å; Q600-R603 PolarHBondContact O-N 2.77Å; F601-R603 VanDerWaalsContact C-N 3.29Å; F601-R603 PolarHBondContact O-N 3.18Å; R603-Q607 PolarHBondContact O-N 3.29Å |
| 604 | Y | 79.2 | Confident | 79.1 | Confident | 143 Ų | 143 | 109.9 Ų | 109.9 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 176.5 | -75.7 | -56.2 | 0 | 0 | 0 | 112.5 | Q600 F601 Q607 R608 | Q600-Y604 HydrophobicContact CG-CD2 3.94Å; Q600-Y604 HydrophobicContact CG-CE2 3.52Å; Q600-Y604 WeakPolarHBondContact O-CD2 3.36Å; Q600-Y604 PolarHBondContact O-N 3.37Å; F601-Y604 PolarHBondContact O-N 2.92Å; Y604-Q607 PolarHBondContact O-N 2.91Å; Y604-R608 WeakPolarHBondContact O-CB 3.46Å; Y604-R608 PolarHBondContact O-N 2.86Å |
| 605 | E | 80.8 | Confident | 79.6 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 177.2 | -167.5 | -173.1 | -156.4 | 0 | 0 | 110.7 | F601 Q607 R608 V609 | F601-E605 HydrophobicContact CE1-CB 4.37Å; F601-E605 VanDerWaalsContact O-CB 3.26Å; F601-E605 WeakPolarHBondContact O-CB 3.41Å; F601-E605 PolarHBondContact O-N 3.43Å; E605-Q607 VanDerWaalsContact C-N 3.31Å; E605-Q607 PolarHBondContact O-N 3.37Å; E605-R608 WeakPolarHBondContact O-CB 3.43Å; E605-R608 PolarHBondContact O-N 3.39Å; E605-R608 VanDerWaalsContact O-N 3.09Å; E605-V609 VanDerWaalsContact O-CG2 3.32Å; E605-V609 WeakPolarHBondContact O-CG2 3.35Å; E605-V609 PolarHBondContact O-N 3.48Å |
| 606 | K | 82.6 | Confident | 80.2 | Confident | 141 Ų | 141 | 110.9 Ų | 110.9 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.7 | -40.4 | 173.3 | -76.4 | 170.8 | -177.1 | 170.1 | 0 | 112 | S602 Y610 | S602-K606 WeakPolarHBondContact O-CB 3.48Å; S602-K606 WeakPolarHBondContact O-CD 3.33Å; S602-K606 WeakPolarHBondContact O-CG 3.32Å; S602-K606 PolarHBondContact O-N 3.09Å; S602-K606 WeakPolarHBondContact OG-CE 3.36Å; K606-Y610 VanDerWaalsContact O-CB 3.27Å; K606-Y610 WeakPolarHBondContact O-CB 3.12Å; K606-Y610 PolarHBondContact O-N 3.37Å |
| 607 | Q | 82.8 | Confident | 80.8 | Confident | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 173.8 | -87.2 | -173.1 | -9.1 | 0 | 0 | 112.3 | R603 Y604 E605 Y610 K611 | R603-Q607 PolarHBondContact O-N 3.29Å; Y604-Q607 PolarHBondContact O-N 2.91Å; E605-Q607 VanDerWaalsContact C-N 3.31Å; E605-Q607 PolarHBondContact O-N 3.37Å; Q607-Y610 PolarHBondContact O-N 3.44Å; Q607-K611 WeakPolarHBondContact O-CB 3.33Å; Q607-K611 WeakPolarHBondContact O-CG 3.46Å; Q607-K611 PolarHBondContact O-N 3.44Å |
| 608 | R | 81.4 | Confident | 81.6 | Confident | 150 Ų | 150 | 109.7 Ų | 109.7 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 177.6 | -166.1 | 178.2 | 74.2 | 147.2 | -1.2 | 111.1 | Y604 E605 K611 K612 | Y604-R608 WeakPolarHBondContact O-CB 3.46Å; Y604-R608 PolarHBondContact O-N 2.86Å; E605-R608 WeakPolarHBondContact O-CB 3.43Å; E605-R608 PolarHBondContact O-N 3.39Å; E605-R608 VanDerWaalsContact O-N 3.09Å; R608-K611 PolarHBondContact O-N 2.9Å; R608-K612 WeakPolarHBondContact O-CB 3.43Å; R608-K612 WeakPolarHBondContact O-CG 3.3Å; R608-K612 PolarHBondContact O-N 3.26Å |
| 609 | V | 81.4 | Confident | 81.9 | Confident | 77 Ų | 77 | 108 Ų | 108 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 173.1 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | E605 K611 K612 L613 | E605-V609 VanDerWaalsContact O-CG2 3.32Å; E605-V609 WeakPolarHBondContact O-CG2 3.35Å; E605-V609 PolarHBondContact O-N 3.48Å; V609-K611 VanDerWaalsContact C-N 3.34Å; V609-K611 PolarHBondContact O-N 3.36Å; V609-K612 PolarHBondContact O-N 2.94Å; V609-K612 VanDerWaalsContact O-N 3.11Å; V609-L613 HydrophobicContact CG1-CD1 4.26Å; V609-L613 WeakPolarHBondContact O-CD1 3.46Å; V609-L613 WeakPolarHBondContact O-CG 3.26Å; V609-L613 PolarHBondContact O-N 2.86Å |
| 610 | Y | 81.9 | Confident | 82.4 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 35% | 0.345 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 175.1 | -170.2 | -97.8 | 0 | 0 | 0 | 113.5 | K606 Q607 L613 K618 | K606-Y610 VanDerWaalsContact O-CB 3.27Å; K606-Y610 WeakPolarHBondContact O-CB 3.12Å; K606-Y610 PolarHBondContact O-N 3.37Å; Q607-Y610 PolarHBondContact O-N 3.44Å; Y610-L613 HydrophobicContact CD2-CD1 4.23Å; Y610-L613 PolarHBondContact O-N 3.32Å; Y610-K618 HydrophobicContact CE2-CG 4.21Å; Y610-K618 WeakPolarHBondContact O-CE 3.34Å |
| 611 | K | 82.4 | Confident | 82.8 | Confident | 163 Ų | 163 | 108.2 Ų | 108.2 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.2 | -35.6 | 175.8 | -75.4 | -178 | 178.8 | -176.3 | 0 | 112 | Q607 R608 V609 L613 | Q607-K611 WeakPolarHBondContact O-CB 3.33Å; Q607-K611 WeakPolarHBondContact O-CG 3.46Å; Q607-K611 PolarHBondContact O-N 3.44Å; R608-K611 PolarHBondContact O-N 2.9Å; V609-K611 VanDerWaalsContact C-N 3.34Å; V609-K611 PolarHBondContact O-N 3.36Å; K611-L613 VanDerWaalsContact C-N 3.34Å |
| 612 | K | 86 | Confident | 83.1 | Confident | 145 Ų | 145 | 108.7 Ų | 108.7 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.8 | -21.4 | 176.2 | -74.7 | -177.6 | 177.8 | -167.7 | 0 | 114.1 | R608 V609 | R608-K612 WeakPolarHBondContact O-CB 3.43Å; R608-K612 WeakPolarHBondContact O-CG 3.3Å; R608-K612 PolarHBondContact O-N 3.26Å; V609-K612 PolarHBondContact O-N 2.94Å; V609-K612 VanDerWaalsContact O-N 3.11Å |
| 613 | L | 82.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 111.1 Ų | 111.1 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -62.7 | 134.6 | 177.6 | -80 | 141.9 | 0 | 0 | 0 | 110.8 | V609 Y610 K611 E617 K618 L621 | V609-L613 HydrophobicContact CG1-CD1 4.26Å; V609-L613 WeakPolarHBondContact O-CD1 3.46Å; V609-L613 WeakPolarHBondContact O-CG 3.26Å; V609-L613 PolarHBondContact O-N 2.86Å; Y610-L613 HydrophobicContact CD2-CD1 4.23Å; Y610-L613 PolarHBondContact O-N 3.32Å; K611-L613 VanDerWaalsContact C-N 3.34Å; L613-E617 WeakPolarHBondContact CA-OE2 3.21Å; L613-E617 HydrophobicContact CB-CB 4.19Å; L613-E617 HydrophobicContact CD2-CB 3.36Å; L613-E617 HydrophobicContact CD2-CG 4.16Å; L613-E617 WeakPolarHBondContact CD2-OE2 3.3Å; L613-E617 HydrophobicContact CG-CB 4.38Å; L613-K618 HydrophobicContact CB-CG 3.91Å; L613-K618 WeakPolarHBondContact O-CE 3.31Å; L613-K618 PolarHBondContact O-NZ 2.9Å; L613-L621 HydrophobicContact CD1-CD1 3.8Å; L613-L621 HydrophobicContact CD2-CD1 4.35Å |
| 614 | Q | 85.4 | Confident | 83.4 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | trans | -64.5 | 157.8 | 174.5 | -68 | -67.9 | -16.9 | 0 | 0 | 110.3 | Y616 E617 K618 | Q614-Y616 VanDerWaalsContact C-N 3.26Å; Q614-Y616 HydrophobicContact CB-CD1 3.7Å; Q614-Y616 HydrophobicContact CB-CE1 3.39Å; Q614-Y616 HydrophobicContact CG-CE1 3.98Å; Q614-Y616 PolarHBondContact O-N 3.49Å; Q614-E617 HydrophobicContact CB-CG 4.17Å; Q614-E617 PolarHBondContact N-OE2 3.19Å; Q614-E617 PolarHBondContact O-N 2.84Å; Q614-K618 PolarHBondContact O-N 3.45Å | ||
| 615 | P | 83.3 | Confident | 83.6 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -54.6 | -40.2 | -175.8 | -24.6 | 32.5 | 0 | 0 | 0 | 113.5 | K618 L619 | P615-K618 PolarHBondContact O-N 3.04Å; P615-L619 PolarHBondContact O-N 3.23Å |
| 616 | Y | 85.1 | Confident | 83.8 | Confident | 157 Ų | 157 | 106.4 Ų | 106.4 | 62% | 0.616 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.2 | -37.4 | 178.8 | 70.7 | -90.4 | 0 | 0 | 0 | 112.2 | Q614 K618 L619 M620 | Q614-Y616 VanDerWaalsContact C-N 3.26Å; Q614-Y616 HydrophobicContact CB-CD1 3.7Å; Q614-Y616 HydrophobicContact CB-CE1 3.39Å; Q614-Y616 HydrophobicContact CG-CE1 3.98Å; Q614-Y616 PolarHBondContact O-N 3.49Å; Y616-K618 VanDerWaalsContact C-N 3.35Å; Y616-L619 PolarHBondContact O-N 2.9Å; Y616-M620 PolarHBondContact O-N 3.45Å |
| 617 | E | 88.4 | Confident | 83.9 | Confident | 67 Ų | 67 | 101.6 Ų | 101.6 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 177 | -56.4 | 177.4 | 131.1 | 0 | 0 | 110.9 | L613 Q614 L619 M620 L621 | L613-E617 WeakPolarHBondContact CA-OE2 3.21Å; L613-E617 HydrophobicContact CB-CB 4.19Å; L613-E617 HydrophobicContact CD2-CB 3.36Å; L613-E617 HydrophobicContact CD2-CG 4.16Å; L613-E617 WeakPolarHBondContact CD2-OE2 3.3Å; L613-E617 HydrophobicContact CG-CB 4.38Å; Q614-E617 HydrophobicContact CB-CG 4.17Å; Q614-E617 PolarHBondContact N-OE2 3.19Å; Q614-E617 PolarHBondContact O-N 2.84Å; E617-L619 VanDerWaalsContact C-N 3.29Å; E617-L619 PolarHBondContact O-N 2.66Å; E617-M620 PolarHBondContact O-N 2.86Å; E617-L621 VanDerWaalsContact O-CB 3.24Å; E617-L621 WeakPolarHBondContact O-CB 3.34Å; E617-L621 PolarHBondContact O-N 3.01Å |
| 618 | K | 87.1 | Confident | 83.9 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 27% | 0.27 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 173.2 | -71.5 | 171.6 | 175.3 | 149.3 | 0 | 111.4 | Y610 L613 Q614 P615 Y616 L621 H622 | Y610-K618 HydrophobicContact CE2-CG 4.21Å; Y610-K618 WeakPolarHBondContact O-CE 3.34Å; L613-K618 HydrophobicContact CB-CG 3.91Å; L613-K618 WeakPolarHBondContact O-CE 3.31Å; L613-K618 PolarHBondContact O-NZ 2.9Å; Q614-K618 PolarHBondContact O-N 3.45Å; P615-K618 PolarHBondContact O-N 3.04Å; Y616-K618 VanDerWaalsContact C-N 3.35Å; K618-L621 PolarHBondContact O-N 3.27Å; K618-H622 WeakPolarHBondContact O-CB 3.47Å; K618-H622 PolarHBondContact O-N 2.9Å |
| 619 | L | 82.5 | Confident | 84 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.3 | -44.8 | 179.7 | -146.1 | 151.8 | 0 | 0 | 0 | 111.1 | P615 Y616 E617 L621 H622 L623 | P615-L619 PolarHBondContact O-N 3.23Å; Y616-L619 PolarHBondContact O-N 2.9Å; E617-L619 VanDerWaalsContact C-N 3.29Å; E617-L619 PolarHBondContact O-N 2.66Å; L619-L621 VanDerWaalsContact C-N 3.33Å; L619-L621 PolarHBondContact O-N 3.38Å; L619-H622 PolarHBondContact O-N 3.49Å; L619-L623 HydrophobicContact CD2-CD1 3.68Å; L619-L623 HydrophobicContact CD2-CG 4.21Å; L619-L623 WeakPolarHBondContact O-CB 3.49Å; L619-L623 WeakPolarHBondContact O-CG 3.39Å; L619-L623 PolarHBondContact O-N 3.45Å |
| 620 | M | 84 | Confident | 84.4 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.4 | -42.4 | 171.6 | -104.3 | -75.2 | 152.4 | 0 | 0 | 112.4 | Y616 E617 H622 L623 G624 | Y616-M620 PolarHBondContact O-N 3.45Å; E617-M620 PolarHBondContact O-N 2.86Å; M620-H622 VanDerWaalsContact C-N 3.34Å; M620-H622 PolarHBondContact O-N 2.81Å; M620-L623 PolarHBondContact O-N 3.32Å; M620-G624 PolarHBondContact O-N 2.96Å |
| 621 | L | 84.8 | Confident | 84.6 | Confident | 53 Ų | 53 | 102 Ų | 102 | 28% | 0.277 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 179.8 | -153.6 | 148.5 | 0 | 0 | 0 | 111.5 | L613 E617 K618 L619 R625 | L613-L621 HydrophobicContact CD1-CD1 3.8Å; L613-L621 HydrophobicContact CD2-CD1 4.35Å; E617-L621 VanDerWaalsContact O-CB 3.24Å; E617-L621 WeakPolarHBondContact O-CB 3.34Å; E617-L621 PolarHBondContact O-N 3.01Å; K618-L621 PolarHBondContact O-N 3.27Å; L619-L621 VanDerWaalsContact C-N 3.33Å; L619-L621 PolarHBondContact O-N 3.38Å; L621-R625 HydrophobicContact CD2-CG 4.43Å; L621-R625 VanDerWaalsContact CD2-NH1 3.27Å; L621-R625 WeakPolarHBondContact O-CB 3.48Å; L621-R625 WeakPolarHBondContact O-CG 3.16Å; L621-R625 PolarHBondContact O-N 3.4Å |
| 622 | H | 83.8 | Confident | 84.9 | Confident | 130 Ų | 130 | 104.2 Ų | 104.2 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.2 | -45.8 | 173.2 | -142.3 | -88.2 | 0 | 0 | 0 | 111.7 | K618 L619 M620 R625 F626 | K618-H622 WeakPolarHBondContact O-CB 3.47Å; K618-H622 PolarHBondContact O-N 2.9Å; L619-H622 PolarHBondContact O-N 3.49Å; M620-H622 VanDerWaalsContact C-N 3.34Å; M620-H622 PolarHBondContact O-N 2.81Å; H622-R625 PolarHBondContact O-N 2.94Å; H622-F626 VanDerWaalsContact O-CB 3.25Å; H622-F626 WeakPolarHBondContact O-CB 3.43Å; H622-F626 PolarHBondContact O-N 3.05Å |
| 623 | L | 82.3 | Confident | 85.1 | Confident | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.4 | -76.4 | 168.4 | 0 | 0 | 0 | 111.5 | L619 M620 F626 V627 | L619-L623 HydrophobicContact CD2-CD1 3.68Å; L619-L623 HydrophobicContact CD2-CG 4.21Å; L619-L623 WeakPolarHBondContact O-CB 3.49Å; L619-L623 WeakPolarHBondContact O-CG 3.39Å; L619-L623 PolarHBondContact O-N 3.45Å; M620-L623 PolarHBondContact O-N 3.32Å; L623-F626 PolarHBondContact O-N 3.38Å; L623-V627 WeakPolarHBondContact O-CB 3.35Å; L623-V627 VanDerWaalsContact O-CG2 3.3Å; L623-V627 WeakPolarHBondContact O-CG2 3.24Å; L623-V627 PolarHBondContact O-N 2.85Å |
| 624 | G | 83.5 | Confident | 85.2 | Confident | 40 Ų | 40 | 104.8 Ų | 104.8 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M620 S628 | M620-G624 PolarHBondContact O-N 2.96Å; G624-S628 WeakPolarHBondContact O-CB 3.32Å; G624-S628 PolarHBondContact O-N 3.39Å |
| 625 | R | 83.8 | Confident | 85.5 | Confident | 158 Ų | 158 | 104.6 Ų | 104.6 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 175.5 | -78.2 | -177.1 | 177.2 | 150.9 | 2.6 | 112.3 | L621 H622 S628 S629 | L621-R625 HydrophobicContact CD2-CG 4.43Å; L621-R625 VanDerWaalsContact CD2-NH1 3.27Å; L621-R625 WeakPolarHBondContact O-CB 3.48Å; L621-R625 WeakPolarHBondContact O-CG 3.16Å; L621-R625 PolarHBondContact O-N 3.4Å; H622-R625 PolarHBondContact O-N 2.94Å; R625-S628 PolarHBondContact O-N 2.87Å; R625-S629 WeakPolarHBondContact O-CB 3.45Å; R625-S629 PolarHBondContact O-N 3.36Å; R625-S629 PolarHBondContact O-OG 3.05Å |
| 626 | F | 84.2 | Confident | 86 | Confident | 126 Ų | 126 | 102 Ų | 102 | 55% | 0.553 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 178.1 | -177.7 | -103.7 | 0 | 0 | 0 | 111.8 | H622 L623 S628 S629 L633 | H622-F626 VanDerWaalsContact O-CB 3.25Å; H622-F626 WeakPolarHBondContact O-CB 3.43Å; H622-F626 PolarHBondContact O-N 3.05Å; L623-F626 PolarHBondContact O-N 3.38Å; F626-S628 VanDerWaalsContact C-N 3.3Å; F626-S628 PolarHBondContact O-N 3.48Å; F626-S629 PolarHBondContact O-N 2.87Å; F626-S629 PolarHBondContact O-OG 2.85Å; F626-L633 HydrophobicContact CD1-CD1 3.72Å; F626-L633 HydrophobicContact CE1-CD1 3.45Å; F626-L633 VanDerWaalsContact CE1-CD1 3.45Å; F626-L633 HydrophobicContact CE1-CD2 4.48Å; F626-L633 HydrophobicContact CE2-CD1 4.49Å; F626-L633 HydrophobicContact CG-CD1 4.35Å; F626-L633 HydrophobicContact CZ-CD1 3.88Å; F626-L633 VanDerWaalsContact O-CD1 3.25Å; F626-L633 WeakPolarHBondContact O-CD1 3.32Å |
| 627 | V | 85.8 | Confident | 86.2 | Confident | 41 Ų | 41 | 97.9 Ų | 97.9 | 25% | 0.248 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 173.9 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | L623 L633 R634 V637 | L623-V627 WeakPolarHBondContact O-CB 3.35Å; L623-V627 VanDerWaalsContact O-CG2 3.3Å; L623-V627 WeakPolarHBondContact O-CG2 3.24Å; L623-V627 PolarHBondContact O-N 2.85Å; V627-L633 WeakPolarHBondContact O-CB 3.45Å; V627-R634 WeakPolarHBondContact O-CG 3.46Å; V627-R634 PolarHBondContact O-N 2.97Å; V627-V637 HydrophobicContact CB-CG2 4.45Å; V627-V637 HydrophobicContact CG1-CB 4.03Å; V627-V637 HydrophobicContact CG1-CG1 4.49Å; V627-V637 HydrophobicContact CG1-CG2 3.46Å; V627-V637 VanDerWaalsContact CG1-CG2 3.46Å; V627-V637 HydrophobicContact CG2-CG2 4.07Å |
| 628 | S | 83 | Confident | 86.4 | Confident | 70 Ų | 70 | 100.9 Ų | 100.9 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.8 | -27.6 | -177.6 | -171.5 | 0 | 0 | 0 | 0 | 113.9 | G624 R625 F626 R634 | G624-S628 WeakPolarHBondContact O-CB 3.32Å; G624-S628 PolarHBondContact O-N 3.39Å; R625-S628 PolarHBondContact O-N 2.87Å; F626-S628 VanDerWaalsContact C-N 3.3Å; F626-S628 PolarHBondContact O-N 3.48Å; S628-R634 PolarHBondContact O-NE 3.33Å; S628-R634 VanDerWaalsContact O-NE 3.07Å |
| 629 | S | 83.6 | Confident | 86.7 | Confident | 88 Ų | 88 | 101.8 Ų | 101.8 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -37.1 | -173.6 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | R625 F626 | R625-S629 WeakPolarHBondContact O-CB 3.45Å; R625-S629 PolarHBondContact O-N 3.36Å; R625-S629 PolarHBondContact O-OG 3.05Å; F626-S629 PolarHBondContact O-N 2.87Å; F626-S629 PolarHBondContact O-OG 2.85Å |
| 630 | D | 88.3 | Confident | 87.3 | Confident | 74 Ų | 74 | 103.9 Ų | 103.9 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | trans | -99.1 | 136 | -178.4 | -157.7 | -25.8 | 0 | 0 | 0 | 111.5 | R632 L633 R634 | D630-R632 PolarHBondContact O-N 3.43Å; D630-R632 PolarHBondContact OD1-N 2.93Å; D630-R632 VanDerWaalsContact OD1-N 3.13Å; D630-L633 HydrophobicContact CB-CB 4.18Å; D630-L633 HydrophobicContact CB-CD1 3.91Å; D630-L633 HydrophobicContact CB-CG 4.04Å; D630-L633 PolarHBondContact O-N 3.46Å; D630-R634 PolarHBondContact O-N 3.35Å; D630-R634 PolarHBondContact O-NE 3.06Å | ||
| 631 | R | 87.4 | Confident | 87.7 | Confident | 206 Ų | 206 | 99.2 Ų | 99.2 | 78% | 0.777 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -35.8 | 174.9 | -177.5 | 176.6 | 177.6 | 174.4 | -0.5 | 111 | L635 | R631-L635 PolarHBondContact O-N 3.39Å |
| 632 | R | 89.2 | Confident | 88.2 | Confident | 209 Ų | 209 | 100.5 Ų | 100.5 | 79% | 0.789 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.7 | -40 | -179.1 | -65.1 | -178.4 | -179.6 | 159.9 | 0.2 | 112.2 | D630 L635 G636 | D630-R632 PolarHBondContact O-N 3.43Å; D630-R632 PolarHBondContact OD1-N 2.93Å; D630-R632 VanDerWaalsContact OD1-N 3.13Å; R632-L635 PolarHBondContact O-N 3.45Å; R632-G636 PolarHBondContact O-N 3Å |
| 633 | L | 88.7 | Confident | 88.8 | Confident | 58 Ų | 58 | 101.1 Ų | 101.1 | 30% | 0.304 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -41 | 177.2 | -70.7 | 172.3 | 0 | 0 | 0 | 112 | F626 V627 D630 L635 G636 V637 | F626-L633 HydrophobicContact CD1-CD1 3.72Å; F626-L633 HydrophobicContact CE1-CD1 3.45Å; F626-L633 VanDerWaalsContact CE1-CD1 3.45Å; F626-L633 HydrophobicContact CE1-CD2 4.48Å; F626-L633 HydrophobicContact CE2-CD1 4.49Å; F626-L633 HydrophobicContact CG-CD1 4.35Å; F626-L633 HydrophobicContact CZ-CD1 3.88Å; F626-L633 VanDerWaalsContact O-CD1 3.25Å; F626-L633 WeakPolarHBondContact O-CD1 3.32Å; V627-L633 WeakPolarHBondContact O-CB 3.45Å; D630-L633 HydrophobicContact CB-CB 4.18Å; D630-L633 HydrophobicContact CB-CD1 3.91Å; D630-L633 HydrophobicContact CB-CG 4.04Å; D630-L633 PolarHBondContact O-N 3.46Å; L633-L635 VanDerWaalsContact C-N 3.3Å; L633-L635 PolarHBondContact O-N 3.36Å; L633-G636 PolarHBondContact O-N 2.86Å; L633-G636 VanDerWaalsContact O-N 3.14Å; L633-V637 PolarHBondContact O-N 3.39Å |
| 634 | R | 85.4 | Confident | 89.4 | Confident | 130 Ų | 130 | 100.3 Ų | 100.3 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.2 | -45.1 | 172 | -78.8 | -176.8 | -81.6 | 152.3 | -8.3 | 112.2 | V627 S628 D630 V637 F638 | V627-R634 WeakPolarHBondContact O-CG 3.46Å; V627-R634 PolarHBondContact O-N 2.97Å; S628-R634 PolarHBondContact O-NE 3.33Å; S628-R634 VanDerWaalsContact O-NE 3.07Å; D630-R634 PolarHBondContact O-N 3.35Å; D630-R634 PolarHBondContact O-NE 3.06Å; R634-V637 PolarHBondContact O-N 2.93Å; R634-F638 WeakPolarHBondContact O-CB 3.32Å; R634-F638 PolarHBondContact O-N 2.95Å |
| 635 | L | 91.4 | Very high | 89.9 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.7 | -175.3 | 65.4 | 0 | 0 | 0 | 111.5 | R631 R632 L633 F638 L639 | R631-L635 PolarHBondContact O-N 3.39Å; R632-L635 PolarHBondContact O-N 3.45Å; L633-L635 VanDerWaalsContact C-N 3.3Å; L633-L635 PolarHBondContact O-N 3.36Å; L635-F638 PolarHBondContact O-N 2.92Å; L635-L639 HydrophobicContact CG-CD1 4.19Å; L635-L639 WeakPolarHBondContact O-CG 3.5Å; L635-L639 PolarHBondContact O-N 2.82Å |
| 636 | G | 93 | Very high | 90.4 | Very high | 39 Ų | 39 | 100.7 Ų | 100.7 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R632 L633 L639 Y640 | R632-G636 PolarHBondContact O-N 3Å; L633-G636 PolarHBondContact O-N 2.86Å; L633-G636 VanDerWaalsContact O-N 3.14Å; G636-L639 PolarHBondContact O-N 3.34Å; G636-Y640 WeakPolarHBondContact O-CB 3.35Å; G636-Y640 PolarHBondContact O-N 3.29Å |
| 637 | V | 90.3 | Very high | 91 | Very high | 70 Ų | 70 | 101.9 Ų | 101.9 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 112 | V627 L633 R634 Y640 A641 | V627-V637 HydrophobicContact CB-CG2 4.45Å; V627-V637 HydrophobicContact CG1-CB 4.03Å; V627-V637 HydrophobicContact CG1-CG1 4.49Å; V627-V637 HydrophobicContact CG1-CG2 3.46Å; V627-V637 VanDerWaalsContact CG1-CG2 3.46Å; V627-V637 HydrophobicContact CG2-CG2 4.07Å; L633-V637 PolarHBondContact O-N 3.39Å; R634-V637 PolarHBondContact O-N 2.93Å; V637-Y640 PolarHBondContact O-N 2.88Å; V637-A641 WeakPolarHBondContact O-CB 3.42Å; V637-A641 PolarHBondContact O-N 2.89Å |
| 638 | F | 92.6 | Very high | 91.4 | Very high | 130 Ų | 130 | 103.8 Ų | 103.8 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 173.8 | -179.8 | -104.6 | 0 | 0 | 0 | 111.8 | R634 L635 A641 I642 | R634-F638 WeakPolarHBondContact O-CB 3.32Å; R634-F638 PolarHBondContact O-N 2.95Å; L635-F638 PolarHBondContact O-N 2.92Å; F638-A641 PolarHBondContact O-N 3.39Å; F638-I642 HydrophobicContact CD1-CD1 3.77Å; F638-I642 HydrophobicContact CE1-CD1 3.28Å; F638-I642 HydrophobicContact CE1-CG1 4.37Å; F638-I642 HydrophobicContact CE2-CD1 4.36Å; F638-I642 HydrophobicContact CZ-CD1 3.63Å; F638-I642 HydrophobicContact CZ-CG1 4.4Å; F638-I642 WeakPolarHBondContact O-CG1 3.44Å; F638-I642 PolarHBondContact O-N 3.29Å |
| 639 | L | 94.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 107.2 Ų | 107.2 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.2 | -70.4 | 171.7 | 0 | 0 | 0 | 111.5 | L635 G636 A641 I642 F643 | L635-L639 HydrophobicContact CG-CD1 4.19Å; L635-L639 WeakPolarHBondContact O-CG 3.5Å; L635-L639 PolarHBondContact O-N 2.82Å; G636-L639 PolarHBondContact O-N 3.34Å; L639-A641 VanDerWaalsContact C-N 3.34Å; L639-A641 PolarHBondContact O-N 3.09Å; L639-I642 PolarHBondContact O-N 3.38Å; L639-F643 WeakPolarHBondContact O-CD2 3.47Å; L639-F643 PolarHBondContact O-N 3.45Å |
| 640 | Y | 93.3 | Very high | 92.4 | Very high | 154 Ų | 154 | 107 Ų | 107 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 175 | 176 | -99.7 | 0 | 0 | 0 | 112 | G636 V637 I642 F643 L644 | G636-Y640 WeakPolarHBondContact O-CB 3.35Å; G636-Y640 PolarHBondContact O-N 3.29Å; V637-Y640 PolarHBondContact O-N 2.88Å; Y640-I642 PolarHBondContact O-N 3Å; Y640-F643 PolarHBondContact O-N 3Å; Y640-L644 HydrophobicContact CE1-CD1 4.05Å; Y640-L644 VanDerWaalsContact O-CB 3.3Å; Y640-L644 WeakPolarHBondContact O-CB 3.44Å; Y640-L644 PolarHBondContact O-N 3.08Å |
| 641 | A | 94.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 105.9 Ų | 105.9 | 31% | 0.306 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V637 F638 L639 L644 H645 | V637-A641 WeakPolarHBondContact O-CB 3.42Å; V637-A641 PolarHBondContact O-N 2.89Å; F638-A641 PolarHBondContact O-N 3.39Å; L639-A641 VanDerWaalsContact C-N 3.34Å; L639-A641 PolarHBondContact O-N 3.09Å; A641-L644 PolarHBondContact O-N 3.49Å; A641-H645 PolarHBondContact O-N 3.48Å; A641-H645 PolarHBondContact O-ND1 3.16Å |
| 642 | I | 94.8 | Very high | 93 | Very high | 80 Ų | 80 | 101.2 Ų | 101.2 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 174 | -72 | 169 | 0 | 0 | 0 | 110.7 | F638 L639 Y640 L644 H645 L646 | F638-I642 HydrophobicContact CD1-CD1 3.77Å; F638-I642 HydrophobicContact CE1-CD1 3.28Å; F638-I642 HydrophobicContact CE1-CG1 4.37Å; F638-I642 HydrophobicContact CE2-CD1 4.36Å; F638-I642 HydrophobicContact CZ-CD1 3.63Å; F638-I642 HydrophobicContact CZ-CG1 4.4Å; F638-I642 WeakPolarHBondContact O-CG1 3.44Å; F638-I642 PolarHBondContact O-N 3.29Å; L639-I642 PolarHBondContact O-N 3.38Å; Y640-I642 PolarHBondContact O-N 3Å; I642-L644 VanDerWaalsContact C-N 3.32Å; I642-L644 PolarHBondContact O-N 2.92Å; I642-H645 PolarHBondContact O-N 3.48Å; I642-L646 WeakPolarHBondContact O-CB 3.28Å; I642-L646 PolarHBondContact O-N 2.95Å |
| 643 | F | 95.7 | Very high | 93.1 | Very high | 142 Ų | 142 | 99.1 Ų | 99.1 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 178.6 | -84.6 | -67.7 | 0 | 0 | 0 | 112.2 | L639 Y640 L646 F647 | L639-F643 WeakPolarHBondContact O-CD2 3.47Å; L639-F643 PolarHBondContact O-N 3.45Å; Y640-F643 PolarHBondContact O-N 3Å; F643-L646 PolarHBondContact O-N 3.14Å; F643-F647 VanDerWaalsContact O-CB 3.27Å; F643-F647 WeakPolarHBondContact O-CB 3.48Å; F643-F647 PolarHBondContact O-N 3.48Å |
| 644 | L | 95.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 103.3 Ų | 103.3 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 178.2 | -173.3 | 124.4 | 0 | 0 | 0 | 111.5 | Y640 A641 I642 F647 I648 | Y640-L644 HydrophobicContact CE1-CD1 4.05Å; Y640-L644 VanDerWaalsContact O-CB 3.3Å; Y640-L644 WeakPolarHBondContact O-CB 3.44Å; Y640-L644 PolarHBondContact O-N 3.08Å; A641-L644 PolarHBondContact O-N 3.49Å; I642-L644 VanDerWaalsContact C-N 3.32Å; I642-L644 PolarHBondContact O-N 2.92Å; L644-F647 PolarHBondContact O-N 3.26Å; L644-I648 HydrophobicContact CD2-CD1 3.69Å; L644-I648 HydrophobicContact CG-CD1 4.17Å; L644-I648 VanDerWaalsContact O-CG1 3.27Å; L644-I648 WeakPolarHBondContact O-CG1 3.32Å; L644-I648 PolarHBondContact O-N 3.41Å |
| 645 | H | 94 | Very high | 93.6 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.7 | -75.2 | 78 | 0 | 0 | 0 | 111.3 | A641 I642 F647 I648 F649 | A641-H645 PolarHBondContact O-N 3.48Å; A641-H645 PolarHBondContact O-ND1 3.16Å; I642-H645 PolarHBondContact O-N 3.48Å; H645-F647 VanDerWaalsContact C-N 3.26Å; H645-F647 PolarHBondContact O-N 3.46Å; H645-I648 PolarHBondContact O-N 2.93Å; H645-F649 HydrophobicContact CB-CD2 4.4Å; H645-F649 HydrophobicContact CB-CE2 4.37Å; H645-F649 WeakPolarHBondContact O-CD2 3.48Å; H645-F649 PolarHBondContact O-N 2.91Å |
| 646 | L | 94.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 177.5 | -154.5 | 93.4 | 0 | 0 | 0 | 111 | I642 F643 F649 I650 | I642-L646 WeakPolarHBondContact O-CB 3.28Å; I642-L646 PolarHBondContact O-N 2.95Å; F643-L646 PolarHBondContact O-N 3.14Å; L646-F649 PolarHBondContact O-N 2.9Å; L646-I650 HydrophobicContact CD2-CD1 4.15Å; L646-I650 HydrophobicContact CG-CD1 4.27Å; L646-I650 WeakPolarHBondContact O-CB 3.47Å; L646-I650 WeakPolarHBondContact O-CD1 3.34Å; L646-I650 WeakPolarHBondContact O-CG1 3.46Å; L646-I650 PolarHBondContact O-N 3.35Å |
| 647 | F | 95.5 | Very high | 93.3 | Very high | 151 Ų | 151 | 100.9 Ų | 100.9 | 66% | 0.662 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 176.4 | -175.6 | -97.9 | 0 | 0 | 0 | 112 | F643 L644 H645 I650 A651 | F643-F647 VanDerWaalsContact O-CB 3.27Å; F643-F647 WeakPolarHBondContact O-CB 3.48Å; F643-F647 PolarHBondContact O-N 3.48Å; L644-F647 PolarHBondContact O-N 3.26Å; H645-F647 VanDerWaalsContact C-N 3.26Å; H645-F647 PolarHBondContact O-N 3.46Å; F647-I650 PolarHBondContact O-N 2.88Å; F647-A651 WeakPolarHBondContact O-CB 3.41Å; F647-A651 PolarHBondContact O-N 3.14Å |
| 648 | I | 94.6 | Very high | 93.2 | Very high | 80 Ų | 80 | 105 Ų | 105 | 41% | 0.41 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.5 | -68.6 | 165.8 | 0 | 0 | 0 | 110.8 | L644 H645 I650 A651 L652 | L644-I648 HydrophobicContact CD2-CD1 3.69Å; L644-I648 HydrophobicContact CG-CD1 4.17Å; L644-I648 VanDerWaalsContact O-CG1 3.27Å; L644-I648 WeakPolarHBondContact O-CG1 3.32Å; L644-I648 PolarHBondContact O-N 3.41Å; H645-I648 PolarHBondContact O-N 2.93Å; I648-I650 PolarHBondContact O-N 3.38Å; I648-A651 PolarHBondContact O-N 3.27Å; I648-L652 HydrophobicContact CG2-CD1 3.83Å; I648-L652 HydrophobicContact CG2-CG 4.29Å; I648-L652 WeakPolarHBondContact O-CB 3.46Å; I648-L652 WeakPolarHBondContact O-CG 3.43Å; I648-L652 PolarHBondContact O-N 3.23Å |
| 649 | F | 94.8 | Very high | 93 | Very high | 142 Ų | 142 | 104.9 Ų | 104.9 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -43 | 176.2 | -81.8 | -63.4 | 0 | 0 | 0 | 112.1 | H645 L646 L652 Y653 | H645-F649 HydrophobicContact CB-CD2 4.4Å; H645-F649 HydrophobicContact CB-CE2 4.37Å; H645-F649 WeakPolarHBondContact O-CD2 3.48Å; H645-F649 PolarHBondContact O-N 2.91Å; L646-F649 PolarHBondContact O-N 2.9Å; F649-L652 PolarHBondContact O-N 3.16Å; F649-Y653 WeakPolarHBondContact O-CB 3.37Å; F649-Y653 PolarHBondContact O-N 3.4Å |
| 650 | I | 93.8 | Very high | 92.5 | Very high | 85 Ų | 85 | 106.7 Ų | 106.7 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.2 | -69.2 | 163.6 | 0 | 0 | 0 | 110.8 | L646 F647 I648 Y653 K654 | L646-I650 HydrophobicContact CD2-CD1 4.15Å; L646-I650 HydrophobicContact CG-CD1 4.27Å; L646-I650 WeakPolarHBondContact O-CB 3.47Å; L646-I650 WeakPolarHBondContact O-CD1 3.34Å; L646-I650 WeakPolarHBondContact O-CG1 3.46Å; L646-I650 PolarHBondContact O-N 3.35Å; F647-I650 PolarHBondContact O-N 2.88Å; I648-I650 PolarHBondContact O-N 3.38Å; I650-Y653 PolarHBondContact O-N 2.84Å; I650-K654 WeakPolarHBondContact O-CB 3.31Å; I650-K654 WeakPolarHBondContact O-CG 3.42Å; I650-K654 PolarHBondContact O-N 3.28Å |
| 651 | A | 93.9 | Very high | 92 | Very high | 49 Ų | 49 | 101.5 Ų | 101.5 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F647 I648 K654 A655 | F647-A651 WeakPolarHBondContact O-CB 3.41Å; F647-A651 PolarHBondContact O-N 3.14Å; I648-A651 PolarHBondContact O-N 3.27Å; A651-K654 PolarHBondContact O-N 2.89Å; A651-A655 WeakPolarHBondContact O-CB 3.38Å; A651-A655 PolarHBondContact O-N 3.34Å |
| 652 | L | 92.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 101.8 Ų | 101.8 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 175.5 | -72.9 | 172.8 | 0 | 0 | 0 | 111.9 | I648 F649 A655 A656 | I648-L652 HydrophobicContact CG2-CD1 3.83Å; I648-L652 HydrophobicContact CG2-CG 4.29Å; I648-L652 WeakPolarHBondContact O-CB 3.46Å; I648-L652 WeakPolarHBondContact O-CG 3.43Å; I648-L652 PolarHBondContact O-N 3.23Å; F649-L652 PolarHBondContact O-N 3.16Å; L652-A655 PolarHBondContact O-N 2.99Å; L652-A656 VanDerWaalsContact O-CB 3.28Å; L652-A656 WeakPolarHBondContact O-CB 3.42Å; L652-A656 PolarHBondContact O-N 2.9Å |
| 653 | Y | 93.1 | Very high | 91.1 | Very high | 165 Ų | 165 | 102.6 Ų | 102.6 | 65% | 0.647 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 175.2 | 178 | -99.3 | 0 | 0 | 0 | 111.3 | F649 I650 A656 H657 | F649-Y653 WeakPolarHBondContact O-CB 3.37Å; F649-Y653 PolarHBondContact O-N 3.4Å; I650-Y653 PolarHBondContact O-N 2.84Å; Y653-A656 PolarHBondContact O-N 3.3Å; Y653-H657 VanDerWaalsContact O-CB 3.28Å; Y653-H657 WeakPolarHBondContact O-CB 3.16Å; Y653-H657 PolarHBondContact O-N 3.45Å |
| 654 | K | 92.2 | Very high | 90.6 | Very high | 146 Ų | 146 | 101.4 Ų | 101.4 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 175.3 | -78.6 | -168.3 | 171.1 | -171.5 | 0 | 112.6 | I650 A651 H657 F658 | I650-K654 WeakPolarHBondContact O-CB 3.31Å; I650-K654 WeakPolarHBondContact O-CG 3.42Å; I650-K654 PolarHBondContact O-N 3.28Å; A651-K654 PolarHBondContact O-N 2.89Å; K654-H657 PolarHBondContact O-N 3.44Å; K654-F658 WeakPolarHBondContact O-CB 3.15Å; K654-F658 PolarHBondContact O-N 3.48Å |
| 655 | A | 91.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A651 L652 F658 Q659 | A651-A655 WeakPolarHBondContact O-CB 3.38Å; A651-A655 PolarHBondContact O-N 3.34Å; L652-A655 PolarHBondContact O-N 2.99Å; A655-F658 PolarHBondContact O-N 3Å; A655-Q659 WeakPolarHBondContact O-CB 3.31Å; A655-Q659 PolarHBondContact O-N 3.18Å |
| 656 | A | 90.5 | Very high | 89.4 | Confident | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L652 Y653 F658 Q659 H660 | L652-A656 VanDerWaalsContact O-CB 3.28Å; L652-A656 WeakPolarHBondContact O-CB 3.42Å; L652-A656 PolarHBondContact O-N 2.9Å; Y653-A656 PolarHBondContact O-N 3.3Å; A656-F658 VanDerWaalsContact C-N 3.33Å; A656-F658 PolarHBondContact O-N 2.83Å; A656-Q659 PolarHBondContact O-N 2.99Å; A656-H660 WeakPolarHBondContact O-CB 3.45Å; A656-H660 PolarHBondContact O-N 3.37Å |
| 657 | H | 87 | Confident | 88.9 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.2 | -172.8 | -69 | 0 | 0 | 0 | 111.6 | Y653 K654 S661 | Y653-H657 VanDerWaalsContact O-CB 3.28Å; Y653-H657 WeakPolarHBondContact O-CB 3.16Å; Y653-H657 PolarHBondContact O-N 3.45Å; K654-H657 PolarHBondContact O-N 3.44Å; H657-S661 PolarHBondContact ND1-OG 3.33Å; H657-S661 WeakPolarHBondContact O-CB 3.37Å; H657-S661 PolarHBondContact O-N 3.33Å; H657-S661 PolarHBondContact O-OG 3.47Å |
| 658 | F | 89.1 | Confident | 88.3 | Confident | 158 Ų | 158 | 97.4 Ų | 97.4 | 69% | 0.693 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 175.2 | 179.3 | -99.3 | 0 | 0 | 0 | 111.6 | K654 A655 A656 S661 A662 | K654-F658 WeakPolarHBondContact O-CB 3.15Å; K654-F658 PolarHBondContact O-N 3.48Å; A655-F658 PolarHBondContact O-N 3Å; A656-F658 VanDerWaalsContact C-N 3.33Å; A656-F658 PolarHBondContact O-N 2.83Å; F658-S661 PolarHBondContact O-N 3.45Å; F658-A662 WeakPolarHBondContact O-CB 3.42Å; F658-A662 PolarHBondContact O-N 3.28Å |
| 659 | Q | 87.8 | Confident | 87.7 | Confident | 126 Ų | 126 | 97.7 Ų | 97.7 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | 178.6 | -172.8 | 167.5 | -9.1 | 0 | 0 | 112.6 | A655 A656 S661 A662 L663 | A655-Q659 WeakPolarHBondContact O-CB 3.31Å; A655-Q659 PolarHBondContact O-N 3.18Å; A656-Q659 PolarHBondContact O-N 2.99Å; Q659-S661 VanDerWaalsContact C-N 3.34Å; Q659-A662 PolarHBondContact O-N 3.44Å; Q659-L663 HydrophobicContact CG-CD1 4.35Å; Q659-L663 WeakPolarHBondContact O-CG 3.49Å; Q659-L663 PolarHBondContact O-N 2.78Å |
| 660 | H | 84.3 | Confident | 87 | Confident | 120 Ų | 120 | 96.5 Ų | 96.5 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 172.7 | -172.8 | -76.1 | 0 | 0 | 0 | 111.1 | A656 A662 L663 E664 | A656-H660 WeakPolarHBondContact O-CB 3.45Å; A656-H660 PolarHBondContact O-N 3.37Å; H660-A662 VanDerWaalsContact C-N 3.31Å; H660-A662 PolarHBondContact O-N 2.83Å; H660-L663 PolarHBondContact O-N 3.44Å; H660-E664 IonicContact CE1-OE2 2.69Å; H660-E664 IonicContact ND1-OE2 2.66Å; H660-E664 VanDerWaalsContact O-CB 3.32Å; H660-E664 WeakPolarHBondContact O-CB 3.35Å; H660-E664 PolarHBondContact O-N 3.14Å |
| 661 | S | 82.8 | Confident | 86.5 | Confident | 45 Ų | 45 | 95.8 Ų | 95.8 | 32% | 0.315 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 177 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | H657 F658 Q659 E664 T665 | H657-S661 PolarHBondContact ND1-OG 3.33Å; H657-S661 WeakPolarHBondContact O-CB 3.37Å; H657-S661 PolarHBondContact O-N 3.33Å; H657-S661 PolarHBondContact O-OG 3.47Å; F658-S661 PolarHBondContact O-N 3.45Å; Q659-S661 VanDerWaalsContact C-N 3.34Å; S661-E664 PolarHBondContact O-N 3.48Å; S661-T665 WeakPolarHBondContact O-CG2 3.15Å; S661-T665 PolarHBondContact O-N 3.45Å; S661-T665 PolarHBondContact O-OG1 2.82Å |
| 662 | A | 85.2 | Confident | 86 | Confident | 43 Ų | 43 | 102.3 Ų | 102.3 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F658 Q659 H660 E664 T665 E666 | F658-A662 WeakPolarHBondContact O-CB 3.42Å; F658-A662 PolarHBondContact O-N 3.28Å; Q659-A662 PolarHBondContact O-N 3.44Å; H660-A662 VanDerWaalsContact C-N 3.31Å; H660-A662 PolarHBondContact O-N 2.83Å; A662-E664 VanDerWaalsContact C-N 3.33Å; A662-E664 PolarHBondContact O-N 3.09Å; A662-T665 WeakPolarHBondContact CA-OG1 3.33Å; A662-T665 PolarHBondContact O-N 2.78Å; A662-T665 PolarHBondContact O-OG1 3.42Å; A662-E666 PolarHBondContact O-N 3.27Å |
| 663 | L | 84.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 176.1 | -75.2 | 168.9 | 0 | 0 | 0 | 112.1 | Q659 H660 T665 E666 A667 | Q659-L663 HydrophobicContact CG-CD1 4.35Å; Q659-L663 WeakPolarHBondContact O-CG 3.49Å; Q659-L663 PolarHBondContact O-N 2.78Å; H660-L663 PolarHBondContact O-N 3.44Å; L663-T665 VanDerWaalsContact C-N 3.34Å; L663-E666 PolarHBondContact O-N 2.87Å; L663-A667 WeakPolarHBondContact O-CB 3.25Å; L663-A667 PolarHBondContact O-N 3.01Å |
| 664 | E | 84.8 | Confident | 84.9 | Confident | 117 Ų | 117 | 100 Ų | 100 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 176.6 | -166.1 | 171.4 | -177.9 | 0 | 0 | 111.1 | H660 S661 A662 N668 | H660-E664 IonicContact CE1-OE2 2.69Å; H660-E664 IonicContact ND1-OE2 2.66Å; H660-E664 VanDerWaalsContact O-CB 3.32Å; H660-E664 WeakPolarHBondContact O-CB 3.35Å; H660-E664 PolarHBondContact O-N 3.14Å; S661-E664 PolarHBondContact O-N 3.48Å; A662-E664 VanDerWaalsContact C-N 3.33Å; A662-E664 PolarHBondContact O-N 3.09Å; E664-N668 WeakPolarHBondContact O-CB 3.32Å; E664-N668 PolarHBondContact O-N 2.81Å |
| 665 | T | 81 | Confident | 84.4 | Confident | 88 Ų | 88 | 99.3 Ų | 99.3 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 172.2 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | S661 A662 L663 N668 C669 | S661-T665 WeakPolarHBondContact O-CG2 3.15Å; S661-T665 PolarHBondContact O-N 3.45Å; S661-T665 PolarHBondContact O-OG1 2.82Å; A662-T665 WeakPolarHBondContact CA-OG1 3.33Å; A662-T665 PolarHBondContact O-N 2.78Å; A662-T665 PolarHBondContact O-OG1 3.42Å; L663-T665 VanDerWaalsContact C-N 3.34Å; T665-N668 PolarHBondContact O-N 3.4Å; T665-C669 WeakPolarHBondContact O-CB 3.46Å; T665-C669 PolarHBondContact O-N 3.46Å; T665-C669 PolarHBondContact O-SG 3.1Å |
| 666 | E | 83.6 | Confident | 83.9 | Confident | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 177.1 | -173.5 | 179.2 | -175.1 | 0 | 0 | 111.4 | A662 L663 N668 C669 H670 | A662-E666 PolarHBondContact O-N 3.27Å; L663-E666 PolarHBondContact O-N 2.87Å; E666-N668 VanDerWaalsContact C-N 3.31Å; E666-N668 PolarHBondContact O-N 2.78Å; E666-C669 WeakPolarHBondContact O-CB 3.39Å; E666-C669 PolarHBondContact O-N 3.18Å; E666-H670 PolarHBondContact O-CD2 3.2Å; E666-H670 VanDerWaalsContact O-CD2 3.3Å; E666-H670 PolarHBondContact O-N 2.86Å |
| 667 | A | 83 | Confident | 83.4 | Confident | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L663 H670 S671 | L663-A667 WeakPolarHBondContact O-CB 3.25Å; L663-A667 PolarHBondContact O-N 3.01Å; A667-H670 PolarHBondContact O-N 3.45Å; A667-S671 WeakPolarHBondContact O-CB 3.37Å; A667-S671 PolarHBondContact O-N 2.89Å |
| 668 | N | 83.9 | Confident | 82.9 | Confident | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 176.2 | -154.9 | -17.5 | 0 | 0 | 0 | 111.4 | E664 T665 E666 S671 R672 | E664-N668 WeakPolarHBondContact O-CB 3.32Å; E664-N668 PolarHBondContact O-N 2.81Å; T665-N668 PolarHBondContact O-N 3.4Å; E666-N668 VanDerWaalsContact C-N 3.31Å; E666-N668 PolarHBondContact O-N 2.78Å; N668-S671 PolarHBondContact O-N 2.86Å; N668-R672 WeakPolarHBondContact O-CB 3.33Å; N668-R672 WeakPolarHBondContact O-CG 3.28Å; N668-R672 PolarHBondContact O-N 3.41Å |
| 669 | C | 82 | Confident | 82.3 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 170.6 | -76.4 | 0 | 0 | 0 | 0 | 111.9 | T665 E666 R672 F673 | T665-C669 WeakPolarHBondContact O-CB 3.46Å; T665-C669 PolarHBondContact O-N 3.46Å; T665-C669 PolarHBondContact O-SG 3.1Å; E666-C669 WeakPolarHBondContact O-CB 3.39Å; E666-C669 PolarHBondContact O-N 3.18Å; C669-R672 PolarHBondContact O-N 3.44Å; C669-F673 VanDerWaalsContact O-CB 3.32Å; C669-F673 WeakPolarHBondContact O-CB 3.33Å; C669-F673 PolarHBondContact O-N 2.95Å |
| 670 | H | 80.4 | Confident | 81.9 | Confident | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.546 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.6 | -84.5 | -69.3 | 0 | 0 | 0 | 112.3 | E666 A667 R672 F673 E674 | E666-H670 PolarHBondContact O-CD2 3.2Å; E666-H670 VanDerWaalsContact O-CD2 3.3Å; E666-H670 PolarHBondContact O-N 2.86Å; A667-H670 PolarHBondContact O-N 3.45Å; H670-R672 PolarHBondContact O-N 2.78Å; H670-F673 PolarHBondContact O-N 2.74Å; H670-E674 WeakPolarHBondContact O-CB 3.4Å; H670-E674 PolarHBondContact O-N 3.41Å |
| 671 | S | 83 | Confident | 81.2 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | A667 N668 K675 | A667-S671 WeakPolarHBondContact O-CB 3.37Å; A667-S671 PolarHBondContact O-N 2.89Å; N668-S671 PolarHBondContact O-N 2.86Å; S671-K675 WeakPolarHBondContact O-CB 3.14Å; S671-K675 PolarHBondContact O-N 2.83Å |
| 672 | R | 83 | Confident | 80.2 | Confident | 185 Ų | 185 | 102.3 Ų | 102.3 | 70% | 0.698 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -39.4 | 174.2 | -75.8 | -177.1 | 175.8 | -155.2 | -2.1 | 112.4 | N668 C669 H670 K675 H676 | N668-R672 WeakPolarHBondContact O-CB 3.33Å; N668-R672 WeakPolarHBondContact O-CG 3.28Å; N668-R672 PolarHBondContact O-N 3.41Å; C669-R672 PolarHBondContact O-N 3.44Å; H670-R672 PolarHBondContact O-N 2.78Å; R672-K675 PolarHBondContact O-N 2.8Å; R672-H676 WeakPolarHBondContact O-CB 3.46Å; R672-H676 PolarHBondContact O-N 3.29Å |
| 673 | F | 82.4 | Confident | 78.8 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | 177.2 | -177.9 | -99.1 | 0 | 0 | 0 | 112 | C669 H670 K675 H676 M677 | C669-F673 VanDerWaalsContact O-CB 3.32Å; C669-F673 WeakPolarHBondContact O-CB 3.33Å; C669-F673 PolarHBondContact O-N 2.95Å; H670-F673 PolarHBondContact O-N 2.74Å; F673-K675 VanDerWaalsContact C-N 3.29Å; F673-K675 PolarHBondContact O-N 2.96Å; F673-H676 CarbonylContact O-C 3.46Å; F673-H676 WeakPolarHBondContact O-CB 3.28Å; F673-H676 PolarHBondContact O-N 3.24Å; F673-M677 HydrophobicContact CD1-CG 3.93Å; F673-M677 HydrophobicContact CE1-CG 3.51Å; F673-M677 HydrophobicContact CE1-SD 4.02Å; F673-M677 HydrophobicContact CE2-CG 4.25Å; F673-M677 HydrophobicContact CE2-SD 4.14Å; F673-M677 HydrophobicContact CG-CG 4.47Å; F673-M677 HydrophobicContact CZ-CG 3.69Å; F673-M677 HydrophobicContact CZ-SD 3.6Å; F673-M677 VanDerWaalsContact CZ-SD 3.6Å; F673-M677 WeakPolarHBondContact O-CG 3.5Å; F673-M677 PolarHBondContact O-N 3.42Å |
| 674 | E | 80.4 | Confident | 77.4 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.7 | -168.3 | -165.2 | 162.5 | 0 | 0 | 111.1 | H670 M677 R678 | H670-E674 WeakPolarHBondContact O-CB 3.4Å; H670-E674 PolarHBondContact O-N 3.41Å; E674-M677 PolarHBondContact O-N 3.47Å; E674-R678 PolarHBondContact O-N 3.31Å; E674-R678 IonicContact OE1-CZ 2.86Å; E674-R678 IonicContact OE1-NE 3.46Å; E674-R678 IonicContact OE1-NH2 3.97Å; E674-R678 PolarHBondContact OE1-NH2 3.18Å |
| 675 | K | 81.8 | Confident | 75.6 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.3 | -43.4 | 175.9 | -155 | 178 | -175.6 | -176.7 | 0 | 111.5 | S671 R672 F673 R678 E679 | S671-K675 WeakPolarHBondContact O-CB 3.14Å; S671-K675 PolarHBondContact O-N 2.83Å; R672-K675 PolarHBondContact O-N 2.8Å; F673-K675 VanDerWaalsContact C-N 3.29Å; F673-K675 PolarHBondContact O-N 2.96Å; K675-R678 PolarHBondContact O-N 2.78Å; K675-E679 WeakPolarHBondContact O-CB 2.87Å; K675-E679 WeakPolarHBondContact O-CG 3.03Å; K675-E679 PolarHBondContact O-N 3.49Å |
| 676 | H | 82.1 | Confident | 74 | Confident | 92 Ų | 92 | 106 Ų | 106 | 43% | 0.426 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 173.8 | 178.6 | 73.8 | 0 | 0 | 0 | 112.6 | R672 F673 R678 E679 V680 | R672-H676 WeakPolarHBondContact O-CB 3.46Å; R672-H676 PolarHBondContact O-N 3.29Å; F673-H676 CarbonylContact O-C 3.46Å; F673-H676 WeakPolarHBondContact O-CB 3.28Å; F673-H676 PolarHBondContact O-N 3.24Å; H676-R678 VanDerWaalsContact C-N 3.33Å; H676-R678 PolarHBondContact O-N 3.42Å; H676-E679 PolarHBondContact O-N 2.79Å; H676-V680 VanDerWaalsContact CE1-CG2 3.46Å; H676-V680 WeakPolarHBondContact CE1-CG2 3.49Å; H676-V680 WeakPolarHBondContact O-CB 3.49Å; H676-V680 WeakPolarHBondContact O-CG2 3.25Å; H676-V680 PolarHBondContact O-N 2.86Å |
| 677 | M | 79.8 | Confident | 72.2 | Confident | 72 Ų | 72 | 108.3 Ų | 108.3 | 36% | 0.355 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.3 | -39.2 | 176.4 | -69.6 | -63.9 | -62.8 | 0 | 0 | 111.8 | F673 E674 H681 N682 | F673-M677 HydrophobicContact CD1-CG 3.93Å; F673-M677 HydrophobicContact CE1-CG 3.51Å; F673-M677 HydrophobicContact CE1-SD 4.02Å; F673-M677 HydrophobicContact CE2-CG 4.25Å; F673-M677 HydrophobicContact CE2-SD 4.14Å; F673-M677 HydrophobicContact CG-CG 4.47Å; F673-M677 HydrophobicContact CZ-CG 3.69Å; F673-M677 HydrophobicContact CZ-SD 3.6Å; F673-M677 VanDerWaalsContact CZ-SD 3.6Å; F673-M677 WeakPolarHBondContact O-CG 3.5Å; F673-M677 PolarHBondContact O-N 3.42Å; E674-M677 PolarHBondContact O-N 3.47Å; M677-H681 HydrophobicContact CE-CB 4.05Å; M677-H681 WeakPolarHBondContact O-CA 3.42Å; M677-H681 WeakPolarHBondContact O-CB 3.44Å; M677-H681 PolarHBondContact O-N 3.06Å; M677-H681 PolarHBondContact SD-CD2 3.09Å; M677-N682 PolarHBondContact O-N 3.3Å; M677-N682 VanDerWaalsContact O-N 3.13Å |
| 678 | R | 75.1 | Confident | 70 | Confident | 157 Ų | 157 | 117.5 Ų | 117.5 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.3 | -42.3 | 174.1 | -94.6 | -170.5 | -137.3 | -178 | 5.6 | 112.9 | E674 K675 H676 N682 | E674-R678 PolarHBondContact O-N 3.31Å; E674-R678 IonicContact OE1-CZ 2.86Å; E674-R678 IonicContact OE1-NE 3.46Å; E674-R678 IonicContact OE1-NH2 3.97Å; E674-R678 PolarHBondContact OE1-NH2 3.18Å; K675-R678 PolarHBondContact O-N 2.78Å; H676-R678 VanDerWaalsContact C-N 3.33Å; H676-R678 PolarHBondContact O-N 3.42Å; R678-N682 WeakPolarHBondContact O-CB 3.46Å |
| 679 | E | 77.9 | Confident | 69.3 | Low | 121 Ų | 121 | 118.8 Ų | 118.8 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.7 | -34.8 | -177.2 | -74.9 | 173.9 | -174.5 | 0 | 0 | 112.4 | K675 H676 | K675-E679 WeakPolarHBondContact O-CB 2.87Å; K675-E679 WeakPolarHBondContact O-CG 3.03Å; K675-E679 PolarHBondContact O-N 3.49Å; H676-E679 PolarHBondContact O-N 2.79Å |
| 680 | V | 78.1 | Confident | 68.6 | Low | 70 Ų | 70 | 120.6 Ų | 120.6 | 42% | 0.424 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -101.9 | -45.4 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 113.4 | H676 | H676-V680 VanDerWaalsContact CE1-CG2 3.46Å; H676-V680 WeakPolarHBondContact CE1-CG2 3.49Å; H676-V680 WeakPolarHBondContact O-CB 3.49Å; H676-V680 WeakPolarHBondContact O-CG2 3.25Å; H676-V680 PolarHBondContact O-N 2.86Å |
| 681 | H | 71 | Confident | 68 | Low | 100 Ų | 100 | 120.7 Ų | 120.7 | 46% | 0.463 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -27.8 | -171 | -72.9 | -69.6 | 0 | 0 | 0 | 114.5 | M677 Q683 D684 | M677-H681 HydrophobicContact CE-CB 4.05Å; M677-H681 WeakPolarHBondContact O-CA 3.42Å; M677-H681 WeakPolarHBondContact O-CB 3.44Å; M677-H681 PolarHBondContact O-N 3.06Å; M677-H681 PolarHBondContact SD-CD2 3.09Å; H681-Q683 PolarHBondContact O-N 3.16Å; H681-Q683 VanDerWaalsContact O-N 3.11Å; H681-D684 PolarHBondContact O-N 2.97Å |
| 682 | N | 60.9 | Low | 67.1 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -5 | 176.6 | -115.7 | 17.6 | 0 | 0 | 0 | 113.5 | M677 R678 D684 | M677-N682 PolarHBondContact O-N 3.3Å; M677-N682 VanDerWaalsContact O-N 3.13Å; R678-N682 WeakPolarHBondContact O-CB 3.46Å; N682-D684 VanDerWaalsContact C-N 3.28Å |
| 683 | Q | 56.4 | Low | 66.1 | Low | 157 Ų | 157 | 119.9 Ų | 119.9 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -18.6 | 168 | -72.8 | -170.3 | 0.1 | 0 | 0 | 112.9 | H681 | H681-Q683 PolarHBondContact O-N 3.16Å; H681-Q683 VanDerWaalsContact O-N 3.11Å |
| 684 | D | 54.6 | Low | 65 | Low | 131 Ų | 131 | 119.7 Ų | 119.7 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -96.5 | -0.7 | -177.1 | -69.4 | -22.2 | 0 | 0 | 0 | 114.1 | H681 N682 G686 | H681-D684 PolarHBondContact O-N 2.97Å; N682-D684 VanDerWaalsContact C-N 3.28Å; D684-G686 PolarHBondContact O-N 2.67Å |
| 685 | G | 47.5 | Very low | 63.9 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -74.8 | 5.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 686 | G | 47.8 | Very low | 62.5 | Low | 62 Ų | 62 | 120.1 Ų | 120.1 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -90.9 | 2.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D684 | D684-G686 PolarHBondContact O-N 2.67Š|
| 687 | N | 44.8 | Very low | 60.9 | Low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | trans | -145 | 78.3 | 178 | -89.2 | -28.8 | 0 | 0 | 0 | 111.6 | ||||
| 688 | L | 36.5 | Very low | 59.2 | Low | 251 Ų | 251 | 127 Ų | 127 | 100% | 1.314 | 70% | 0.695 | S | S | * | * | trans | -175.3 | 0 | 138.1 | -98.6 | 155.1 | 0 | 0 | 0 | 111.5 |
Retrieved 688 of 688 residues in 1561.6 ms
(Link to these results)