| 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 | D | 74.6 | Confident | 88.3 | Confident | 192 Ų | 192 | 103.5 Ų | 103.5 | 100% | 1.027 | 51% | 0.511 | S | S | * | . | 0 | -67.9 | 0 | -59.2 | 1.8 | 0 | 0 | 0 | 115.2 | N3 | D1-N3 VanDerWaalsContact C-N 3.32Å; D1-N3 PolarHBondContact O-N 3.28Å | |||
| 2 | K | 87.4 | Confident | 88.8 | Confident | 183 Ų | 183 | 95.8 Ų | 95.8 | 80% | 0.796 | 48% | 0.476 | S | S | * | . | trans | -88.4 | 10 | -177.4 | -63.9 | -177.2 | -179.4 | 175.2 | 0 | 114.7 | K4 | K2-K4 HydrophobicContact CB-CG 4.06Å; K2-K4 WeakPolarHBondContact O-CG 3.39Å; K2-K4 PolarHBondContact O-N 3.43Å; K2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | N | 83.8 | Confident | 89.2 | Confident | 108 Ų | 108 | 90.7 Ų | 90.7 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | trans | 50.3 | 29.4 | -173.2 | -61 | -21.4 | 0 | 0 | 0 | 114.6 | D1 L5 | D1-N3 VanDerWaalsContact C-N 3.32Å; D1-N3 PolarHBondContact O-N 3.28Å; N3-L5 PolarHBondContact O-N 3.45Å | ||
| 4 | K | 90 | Very high | 89.5 | Confident | 127 Ų | 127 | 91.3 Ų | 91.3 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | trans | -98.1 | 71.8 | 178.5 | -59.7 | -152 | -177 | -175.6 | 0 | 111 | K2 M6 D7 A8 | K2-K4 HydrophobicContact CB-CG 4.06Å; K2-K4 WeakPolarHBondContact O-CG 3.39Å; K2-K4 PolarHBondContact O-N 3.43Å; K2-K4 VanDerWaalsContact O-N 3.09Å; K4-M6 PolarHBondContact O-N 3.19Å; K4-D7 HydrophobicContact CB-CB 4.04Å; K4-D7 WeakPolarHBondContact CD-OD2 3.42Å; K4-D7 IonicContact NZ-OD2 2.73Å; K4-D7 PolarHBondContact O-N 3.1Å; K4-A8 WeakPolarHBondContact O-CB 3.2Å; K4-A8 PolarHBondContact O-N 3.08Å | ||
| 5 | L | 88.3 | Confident | 89.9 | Confident | 21 Ų | 21 | 89.2 Ų | 89.2 | 11% | 0.11 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | -175.8 | 178.6 | 61.2 | 0 | 0 | 0 | 112.6 | N3 D7 A8 L9 L43 Y46 L47 V57 L60 | N3-L5 PolarHBondContact O-N 3.45Å; L5-D7 VanDerWaalsContact C-N 3.34Å; L5-D7 PolarHBondContact O-N 3.5Å; L5-A8 CarbonylContact O-C 3.6Å; L5-A8 WeakPolarHBondContact O-CB 3.48Å; L5-A8 PolarHBondContact O-N 3.45Å; L5-A8 VanDerWaalsContact O-N 3.15Å; L5-L9 HydrophobicContact CD1-CD1 4.39Å; L5-L9 HydrophobicContact CD1-CG 4.14Å; L5-L9 HydrophobicContact CG-CD1 4.15Å; L5-L9 HydrophobicContact CG-CG 4.35Å; L5-L9 WeakPolarHBondContact O-CG 3.46Å; L5-L9 PolarHBondContact O-N 2.9Å; L5-L43 HydrophobicContact CD1-CD1 4.34Å; L5-Y46 HydrophobicContact CD1-CE1 4.16Å; L5-L47 HydrophobicContact CD1-CD2 3.77Å; L5-L47 HydrophobicContact CD2-CD2 3.91Å; L5-V57 HydrophobicContact CD2-CG2 3.93Å; L5-L60 HydrophobicContact CD2-CD1 4.27Å |
| 6 | M | 87.4 | Confident | 90.3 | Very high | 101 Ų | 101 | 83.6 Ų | 83.6 | 50% | 0.498 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | -179 | -61 | -53.8 | 176.6 | 0 | 0 | 112.7 | K4 L9 K10 V57 L63 | K4-M6 PolarHBondContact O-N 3.19Å; M6-L9 PolarHBondContact O-N 3.44Å; M6-L9 HydrophobicContact SD-CD1 4.15Å; M6-K10 WeakPolarHBondContact O-CB 3.05Å; M6-K10 PolarHBondContact O-N 3.1Å; M6-V57 HydrophobicContact CE-CG1 4.44Å; M6-L63 HydrophobicContact CE-CD1 3.72Å |
| 7 | D | 90.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 79.9 Ų | 79.9 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 173.9 | -68.9 | -26.7 | 0 | 0 | 0 | 110.4 | K4 L5 K10 H11 | K4-D7 HydrophobicContact CB-CB 4.04Å; K4-D7 WeakPolarHBondContact CD-OD2 3.42Å; K4-D7 IonicContact NZ-OD2 2.73Å; K4-D7 PolarHBondContact O-N 3.1Å; L5-D7 VanDerWaalsContact C-N 3.34Å; L5-D7 PolarHBondContact O-N 3.5Å; D7-K10 WeakPolarHBondContact O-CB 3.38Å; D7-K10 PolarHBondContact O-N 2.99Å; D7-H11 PolarHBondContact O-CD2 3.37Å; D7-H11 PolarHBondContact O-N 3.43Å |
| 8 | A | 91.9 | Very high | 90.7 | Very high | 43 Ų | 43 | 82.5 Ų | 82.5 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K4 L5 K10 H11 A12 | K4-A8 WeakPolarHBondContact O-CB 3.2Å; K4-A8 PolarHBondContact O-N 3.08Å; L5-A8 CarbonylContact O-C 3.6Å; L5-A8 WeakPolarHBondContact O-CB 3.48Å; L5-A8 PolarHBondContact O-N 3.45Å; L5-A8 VanDerWaalsContact O-N 3.15Å; A8-K10 VanDerWaalsContact C-N 3.31Å; A8-K10 PolarHBondContact O-N 3.04Å; A8-H11 PolarHBondContact O-N 3.02Å; A8-A12 WeakPolarHBondContact O-CB 3.08Å; A8-A12 PolarHBondContact O-N 3.43Å |
| 9 | L | 90.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 78.2 Ų | 78.2 | 9% | 0.089 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 175.1 | -70.1 | 174 | 0 | 0 | 0 | 112 | L5 M6 A12 S13 L43 L60 V64 L76 | L5-L9 HydrophobicContact CD1-CD1 4.39Å; L5-L9 HydrophobicContact CD1-CG 4.14Å; L5-L9 HydrophobicContact CG-CD1 4.15Å; L5-L9 HydrophobicContact CG-CG 4.35Å; L5-L9 WeakPolarHBondContact O-CG 3.46Å; L5-L9 PolarHBondContact O-N 2.9Å; M6-L9 PolarHBondContact O-N 3.44Å; M6-L9 HydrophobicContact SD-CD1 4.15Å; L9-A12 PolarHBondContact O-N 2.96Å; L9-S13 VanDerWaalsContact O-CB 3.32Å; L9-S13 WeakPolarHBondContact O-CB 3.27Å; L9-S13 PolarHBondContact O-N 3.43Å; L9-L43 HydrophobicContact CD2-CD2 4.16Å; L9-L60 HydrophobicContact CD1-CD1 4.06Å; L9-V64 HydrophobicContact CD1-CG1 4.31Å; L9-V64 HydrophobicContact CD2-CG1 4.27Å; L9-L76 HydrophobicContact CD2-CD2 4.06Å |
| 10 | K | 92 | Very high | 91.1 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 61% | 0.613 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 174.2 | -172 | 174.2 | 178.9 | 177.8 | 0 | 111.7 | M6 D7 A8 S13 N14 | M6-K10 WeakPolarHBondContact O-CB 3.05Å; M6-K10 PolarHBondContact O-N 3.1Å; D7-K10 WeakPolarHBondContact O-CB 3.38Å; D7-K10 PolarHBondContact O-N 2.99Å; A8-K10 VanDerWaalsContact C-N 3.31Å; A8-K10 PolarHBondContact O-N 3.04Å; K10-S13 PolarHBondContact O-N 3.04Å; K10-N14 PolarHBondContact O-N 2.78Å; K10-N14 VanDerWaalsContact O-N 3.08Å; K10-N14 PolarHBondContact O-ND2 3.14Å |
| 11 | H | 94.3 | Very high | 91.2 | Very high | 130 Ų | 130 | 78.6 Ų | 78.6 | 60% | 0.602 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.1 | -42.9 | 174.6 | -72 | -60.2 | 0 | 0 | 0 | 112.3 | D7 A8 S13 N14 M15 | D7-H11 PolarHBondContact O-CD2 3.37Å; D7-H11 PolarHBondContact O-N 3.43Å; A8-H11 PolarHBondContact O-N 3.02Å; H11-S13 VanDerWaalsContact C-N 3.31Å; H11-S13 PolarHBondContact O-N 3.4Å; H11-N14 WeakPolarHBondContact O-CB 3.46Å; H11-N14 PolarHBondContact O-N 3.34Å; H11-N14 VanDerWaalsContact O-N 3.13Å; H11-M15 PolarHBondContact O-N 2.95Å |
| 12 | A | 94.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 73 Ų | 73 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A8 L9 N14 M15 L16 L43 L76 | A8-A12 WeakPolarHBondContact O-CB 3.08Å; A8-A12 PolarHBondContact O-N 3.43Å; L9-A12 PolarHBondContact O-N 2.96Å; A12-N14 VanDerWaalsContact C-N 3.3Å; A12-N14 PolarHBondContact O-N 3.5Å; A12-M15 PolarHBondContact O-N 3.08Å; A12-L16 WeakPolarHBondContact O-CB 3.23Å; A12-L16 WeakPolarHBondContact O-CD1 3.17Å; A12-L16 VanDerWaalsContact O-CG 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.29Å; A12-L16 PolarHBondContact O-N 2.8Å; A12-L43 HydrophobicContact CB-CD2 4.23Å; A12-L76 HydrophobicContact CB-CD2 4.08Å |
| 13 | S | 93.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 72.5 Ų | 72.5 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | L9 K10 H11 G17 | L9-S13 VanDerWaalsContact O-CB 3.32Å; L9-S13 WeakPolarHBondContact O-CB 3.27Å; L9-S13 PolarHBondContact O-N 3.43Å; K10-S13 PolarHBondContact O-N 3.04Å; H11-S13 VanDerWaalsContact C-N 3.31Å; H11-S13 PolarHBondContact O-N 3.4Å; S13-G17 PolarHBondContact O-N 3.14Å |
| 14 | N | 94.1 | Very high | 92.3 | Very high | 99 Ų | 99 | 70.5 Ų | 70.5 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 175 | -70.4 | -20 | 0 | 0 | 0 | 110.9 | K10 H11 A12 L16 G17 | K10-N14 PolarHBondContact O-N 2.78Å; K10-N14 VanDerWaalsContact O-N 3.08Å; K10-N14 PolarHBondContact O-ND2 3.14Å; H11-N14 WeakPolarHBondContact O-CB 3.46Å; H11-N14 PolarHBondContact O-N 3.34Å; H11-N14 VanDerWaalsContact O-N 3.13Å; A12-N14 VanDerWaalsContact C-N 3.3Å; A12-N14 PolarHBondContact O-N 3.5Å; N14-L16 PolarHBondContact O-N 3.13Å; N14-G17 WeakPolarHBondContact O-CA 3.22Å; N14-G17 PolarHBondContact O-N 2.73Å |
| 15 | M | 95.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 175.1 | 178.1 | 178.6 | 69.8 | 0 | 0 | 111.7 | H11 A12 G17 E18 I36 E39 L40 | H11-M15 PolarHBondContact O-N 2.95Å; A12-M15 PolarHBondContact O-N 3.08Å; M15-G17 PolarHBondContact O-N 3.35Å; M15-G17 VanDerWaalsContact O-N 3.16Å; M15-E18 WeakPolarHBondContact O-CB 3.42Å; M15-E18 PolarHBondContact O-N 3.23Å; M15-E18 VanDerWaalsContact O-N 3.1Å; M15-I36 HydrophobicContact CE-CG2 4.27Å; M15-I36 HydrophobicContact CG-CD1 4.43Å; M15-I36 HydrophobicContact CG-CG1 4.18Å; M15-E39 HydrophobicContact CE-CB 3.77Å; M15-E39 HydrophobicContact SD-CB 3.86Å; M15-E39 HydrophobicContact SD-CG 4.15Å; M15-L40 HydrophobicContact CE-CD2 4.42Å |
| 16 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.7 | 175.4 | -68.9 | 165.4 | 0 | 0 | 0 | 113.3 | A12 N14 E18 L19 I36 L40 P72 Y75 L76 | A12-L16 WeakPolarHBondContact O-CB 3.23Å; A12-L16 WeakPolarHBondContact O-CD1 3.17Å; A12-L16 VanDerWaalsContact O-CG 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.29Å; A12-L16 PolarHBondContact O-N 2.8Å; N14-L16 PolarHBondContact O-N 3.13Å; L16-E18 PolarHBondContact O-N 3.26Å; L16-L19 HydrophobicContact CD2-CD1 3.92Å; L16-L19 PolarHBondContact O-N 2.98Å; L16-I36 HydrophobicContact CD2-CG2 3.55Å; L16-L40 HydrophobicContact CD1-CD2 4.27Å; L16-L40 HydrophobicContact CD2-CD1 3.87Å; L16-L40 HydrophobicContact CD2-CG 4.41Å; L16-P72 HydrophobicContact CB-CB 3.88Å; L16-P72 HydrophobicContact CB-CG 3.89Å; L16-P72 HydrophobicContact CD1-CB 4.42Å; L16-Y75 HydrophobicContact CD2-CD1 4.29Å; L16-Y75 HydrophobicContact CD2-CD2 4.31Å; L16-Y75 HydrophobicContact CD2-CG 3.89Å; L16-L76 HydrophobicContact CD1-CD1 4.48Å; L16-L76 HydrophobicContact CD1-CD2 4.01Å; L16-L76 HydrophobicContact CD1-CG 3.8Å |
| 17 | G | 93.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S13 N14 M15 L19 R20 | S13-G17 PolarHBondContact O-N 3.14Å; N14-G17 WeakPolarHBondContact O-CA 3.22Å; N14-G17 PolarHBondContact O-N 2.73Å; M15-G17 PolarHBondContact O-N 3.35Å; M15-G17 VanDerWaalsContact O-N 3.16Å; G17-L19 VanDerWaalsContact C-N 3.35Å; G17-L19 PolarHBondContact O-N 2.7Å; G17-R20 VanDerWaalsContact O-CB 3.23Å; G17-R20 WeakPolarHBondContact O-CB 3.37Å; G17-R20 WeakPolarHBondContact O-CG 3.49Å; G17-R20 PolarHBondContact O-N 3.34Å; G17-R20 VanDerWaalsContact O-N 3.16Å |
| 18 | E | 94.5 | Very high | 92.4 | Very high | 126 Ų | 126 | 66 Ų | 66 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -67.8 | -32.2 | -179.2 | -62.4 | -56.1 | 144.4 | 0 | 0 | 112.6 | M15 L16 R20 T21 L32 | M15-E18 WeakPolarHBondContact O-CB 3.42Å; M15-E18 PolarHBondContact O-N 3.23Å; M15-E18 VanDerWaalsContact O-N 3.1Å; L16-E18 PolarHBondContact O-N 3.26Å; E18-R20 PolarHBondContact O-N 3.49Å; E18-T21 VanDerWaalsContact O-CG2 3.3Å; E18-T21 WeakPolarHBondContact O-CG2 3.22Å; E18-T21 PolarHBondContact O-N 2.82Å; E18-T21 VanDerWaalsContact O-N 3.12Å; E18-L32 HydrophobicContact CB-CD2 4.47Å |
| 19 | L | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -64.9 | -6.4 | 174.3 | -67.7 | -178.4 | 0 | 0 | 0 | 113.5 | L16 G17 T21 Y29 L32 I36 I71 Y75 R111 | L16-L19 HydrophobicContact CD2-CD1 3.92Å; L16-L19 PolarHBondContact O-N 2.98Å; G17-L19 VanDerWaalsContact C-N 3.35Å; G17-L19 PolarHBondContact O-N 2.7Å; L19-T21 VanDerWaalsContact C-N 3.27Å; L19-Y29 HydrophobicContact CD2-CE1 4.3Å; L19-Y29 WeakPolarHBondContact O-CE2 3.37Å; L19-Y29 PolarHBondContact O-OH 3.4Å; L19-L32 HydrophobicContact CD2-CD2 4.06Å; L19-L32 HydrophobicContact CD2-CG 3.94Å; L19-I36 HydrophobicContact CD1-CB 4.46Å; L19-I36 HydrophobicContact CD1-CD1 4.17Å; L19-I36 HydrophobicContact CD1-CG2 3.96Å; L19-I36 HydrophobicContact CD2-CD1 3.72Å; L19-I36 HydrophobicContact CG-CD1 3.58Å; L19-I71 HydrophobicContact CB-CG2 3.9Å; L19-Y75 HydrophobicContact CD1-CD2 4.39Å; L19-Y75 HydrophobicContact CD1-CE1 4.27Å; L19-Y75 HydrophobicContact CD1-CE2 3.91Å; L19-R111 WeakPolarHBondContact O-CD 3.46Å |
| 20 | R | 94.9 | Very high | 92.7 | Very high | 123 Ų | 123 | 68.3 Ų | 68.3 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -80.2 | -8.7 | 175.1 | -60.8 | 172.5 | 61.9 | -141.1 | 1 | 112.9 | G17 E18 N69 I71 R111 | G17-R20 VanDerWaalsContact O-CB 3.23Å; G17-R20 WeakPolarHBondContact O-CB 3.37Å; G17-R20 WeakPolarHBondContact O-CG 3.49Å; G17-R20 PolarHBondContact O-N 3.34Å; G17-R20 VanDerWaalsContact O-N 3.16Å; E18-R20 PolarHBondContact O-N 3.49Å; R20-N69 PolarHBondContact NH1-ND2 3.26Å; R20-N69 PolarHBondContact NH2-OD1 2.97Å; R20-I71 HydrophobicContact CG-CB 4.03Å; R20-I71 HydrophobicContact CG-CG1 4.27Å; R20-I71 HydrophobicContact CG-CG2 4.41Å; R20-R111 PolarHBondContact O-NH1 3.17Å |
| 21 | T | 92.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 67.2 Ų | 67.2 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | trans | -60.2 | 146.8 | 179.1 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | E18 L19 M23 L24 Y29 R111 | E18-T21 VanDerWaalsContact O-CG2 3.3Å; E18-T21 WeakPolarHBondContact O-CG2 3.22Å; E18-T21 PolarHBondContact O-N 2.82Å; E18-T21 VanDerWaalsContact O-N 3.12Å; L19-T21 VanDerWaalsContact C-N 3.27Å; T21-M23 PolarHBondContact OG1-N 2.77Å; T21-L24 HydrophobicContact CG2-CB 4.4Å; T21-L24 HydrophobicContact CG2-CD1 3.57Å; T21-L24 HydrophobicContact CG2-CG 3.7Å; T21-Y29 HydrophobicContact CG2-CD2 4.49Å; T21-R111 PolarHBondContact O-NH1 2.86Å | ||
| 22 | S | 87.8 | Confident | 92.8 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -114.6 | 1 | 170.3 | -75.1 | 0 | 0 | 0 | 0 | 112 | R111 | S22-R111 PolarHBondContact OG-NH1 3.18Š|
| 23 | M | 88.6 | Confident | 92.9 | Very high | 173 Ų | 173 | 63.1 Ų | 63.1 | 85% | 0.852 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -88.7 | -14 | -172.1 | -59.6 | -59.3 | -72.4 | 0 | 0 | 113.1 | T21 | T21-M23 PolarHBondContact OG1-N 2.77Š|
| 24 | L | 91.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -83.1 | 145.8 | -179.3 | -61.1 | -177.9 | 0 | 0 | 0 | 111 | T21 L32 | T21-L24 HydrophobicContact CG2-CB 4.4Å; T21-L24 HydrophobicContact CG2-CD1 3.57Å; T21-L24 HydrophobicContact CG2-CG 3.7Å; L24-L32 HydrophobicContact CD1-CD2 3.81Å |
| 25 | S | 89.2 | Confident | 92.9 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | trans | -65.7 | 159.3 | 166 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | K27 S28 Y29 | S25-K27 PolarHBondContact O-N 2.71Å; S25-S28 PolarHBondContact O-N 3.09Å; S25-S28 PolarHBondContact OG-N 3.09Å; S25-S28 PolarHBondContact OG-OG 3.41Å; S25-Y29 WeakPolarHBondContact O-CB 3.47Å; S25-Y29 PolarHBondContact O-N 3.47Å | ||
| 26 | P | 89.4 | Confident | 92.9 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -52.2 | -39.6 | 175.3 | -34.8 | 42.7 | 0 | 0 | 0 | 114.6 | Y29 Y30 L110 E180 L184 | P26-Y29 PolarHBondContact O-N 2.79Å; P26-Y30 WeakPolarHBondContact O-CB 3.45Å; P26-Y30 PolarHBondContact O-N 3.45Å; P26-L110 HydrophobicContact CB-CD1 4.02Å; P26-L110 HydrophobicContact CG-CD1 4.13Å; P26-E180 HydrophobicContact CG-CB 3.9Å; P26-E180 HydrophobicContact CG-CG 3.76Å; P26-L184 HydrophobicContact CB-CD1 3.96Å; P26-L184 HydrophobicContact CB-CD2 4.24Å; P26-L184 HydrophobicContact CB-CG 4.17Å; P26-L184 HydrophobicContact CG-CD1 4.4Å |
| 27 | K | 88.3 | Confident | 92.8 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.8 | -47.3 | 177.7 | -171.4 | 174.1 | -179.8 | 176.2 | 0 | 112.7 | S25 Y29 Y30 E31 | S25-K27 PolarHBondContact O-N 2.71Å; K27-Y29 VanDerWaalsContact C-N 3.26Å; K27-Y29 PolarHBondContact O-N 3.44Å; K27-Y30 WeakPolarHBondContact O-CB 3.36Å; K27-Y30 PolarHBondContact O-N 2.96Å; K27-Y30 VanDerWaalsContact O-N 3.14Å; K27-E31 PolarHBondContact O-N 2.89Å |
| 28 | S | 92.9 | Very high | 92.8 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -32.4 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | S25 L32 | S25-S28 PolarHBondContact O-N 3.09Å; S25-S28 PolarHBondContact OG-N 3.09Å; S25-S28 PolarHBondContact OG-OG 3.41Å; S28-L32 PolarHBondContact O-N 3.38Å; S28-L32 VanDerWaalsContact O-N 3.15Å |
| 29 | Y | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 172.7 | -166.6 | -74.7 | 0 | 0 | 0 | 111.3 | L19 T21 S25 P26 K27 L32 Y33 L110 R111 F114 | L19-Y29 HydrophobicContact CD2-CE1 4.3Å; L19-Y29 WeakPolarHBondContact O-CE2 3.37Å; L19-Y29 PolarHBondContact O-OH 3.4Å; T21-Y29 HydrophobicContact CG2-CD2 4.49Å; S25-Y29 WeakPolarHBondContact O-CB 3.47Å; S25-Y29 PolarHBondContact O-N 3.47Å; P26-Y29 PolarHBondContact O-N 2.79Å; K27-Y29 VanDerWaalsContact C-N 3.26Å; K27-Y29 PolarHBondContact O-N 3.44Å; Y29-L32 PolarHBondContact O-N 3.46Å; Y29-Y33 VanDerWaalsContact O-CB 3.23Å; Y29-Y33 WeakPolarHBondContact O-CB 3.45Å; Y29-Y33 PolarHBondContact O-N 3.16Å; Y29-L110 HydrophobicContact CD1-CD2 4.42Å; Y29-L110 HydrophobicContact CD1-CG 4.31Å; Y29-L110 HydrophobicContact CD2-CD2 3.79Å; Y29-L110 HydrophobicContact CD2-CG 4.41Å; Y29-L110 HydrophobicContact CE2-CD2 4.46Å; Y29-L110 HydrophobicContact CG-CD2 3.78Å; Y29-L110 HydrophobicContact CG-CG 4.15Å; Y29-R111 HydrophobicContact CE2-CG 4.14Å; Y29-F114 HydrophobicContact CD1-CD1 4.49Å; Y29-F114 AromaticContact CD1-CD2 3.32Å; Y29-F114 HydrophobicContact CD1-CD2 3.32Å; Y29-F114 AromaticContact CD1-CE2 3.49Å; Y29-F114 HydrophobicContact CD1-CE2 3.49Å; Y29-F114 VanDerWaalsContact CD1-CE2 3.49Å; Y29-F114 AromaticContact CD1-CG 3.89Å; Y29-F114 HydrophobicContact CD1-CG 3.89Å; Y29-F114 HydrophobicContact CD1-CZ 4.14Å; Y29-F114 HydrophobicContact CE1-CB 3.89Å; Y29-F114 HydrophobicContact CE1-CD1 4.49Å; Y29-F114 AromaticContact CE1-CD2 3.42Å; Y29-F114 HydrophobicContact CE1-CD2 3.42Å; Y29-F114 VanDerWaalsContact CE1-CD2 3.42Å; Y29-F114 HydrophobicContact CE1-CE2 4.09Å; Y29-F114 AromaticContact CE1-CG 3.67Å; Y29-F114 HydrophobicContact CE1-CG 3.67Å; Y29-F114 HydrophobicContact CG-CD2 4.46Å; Y29-F114 HydrophobicContact CG-CE2 4.4Å |
| 30 | Y | 92.7 | Very high | 92.8 | Very high | 108 Ų | 108 | 63.9 Ų | 63.9 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 174.3 | 179.9 | -92 | 0 | 0 | 0 | 112 | P26 K27 Y33 M34 F114 | P26-Y30 WeakPolarHBondContact O-CB 3.45Å; P26-Y30 PolarHBondContact O-N 3.45Å; K27-Y30 WeakPolarHBondContact O-CB 3.36Å; K27-Y30 PolarHBondContact O-N 2.96Å; K27-Y30 VanDerWaalsContact O-N 3.14Å; Y30-Y33 WeakPolarHBondContact O-CB 3.38Å; Y30-Y33 PolarHBondContact O-N 3.24Å; Y30-M34 HydrophobicContact CD1-CG 4.2Å; Y30-M34 HydrophobicContact CE1-CG 3.72Å; Y30-M34 HydrophobicContact CE1-SD 4.49Å; Y30-M34 HydrophobicContact CE2-CG 4.38Å; Y30-M34 HydrophobicContact CE2-SD 4.42Å; Y30-M34 WeakPolarHBondContact O-CG 3.29Å; Y30-M34 PolarHBondContact O-N 3.1Å; Y30-F114 AromaticContact CD2-CE1 3.54Å; Y30-F114 HydrophobicContact CD2-CE1 3.54Å; Y30-F114 AromaticContact CD2-CZ 3.85Å; Y30-F114 HydrophobicContact CD2-CZ 3.85Å; Y30-F114 HydrophobicContact CE2-CE1 4.42Å; Y30-F114 HydrophobicContact CG-CE1 4.24Å; Y30-F114 HydrophobicContact CG-CZ 4.3Å |
| 31 | E | 93.5 | Very high | 92.7 | Very high | 118 Ų | 118 | 62.6 Ų | 62.6 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 177 | -70.7 | 169.1 | -175.7 | 0 | 0 | 111.8 | K27 Y33 M34 A35 | K27-E31 PolarHBondContact O-N 2.89Å; E31-Y33 VanDerWaalsContact C-N 3.32Å; E31-Y33 PolarHBondContact O-N 3.43Å; E31-M34 PolarHBondContact O-N 2.93Å; E31-A35 PolarHBondContact O-N 2.85Å; E31-A35 VanDerWaalsContact O-N 3.12Å |
| 32 | L | 95.2 | Very high | 92.8 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.1 | -179.9 | 62.2 | 0 | 0 | 0 | 111.9 | E18 L19 L24 S28 Y29 A35 I36 | E18-L32 HydrophobicContact CB-CD2 4.47Å; L19-L32 HydrophobicContact CD2-CD2 4.06Å; L19-L32 HydrophobicContact CD2-CG 3.94Å; L24-L32 HydrophobicContact CD1-CD2 3.81Å; S28-L32 PolarHBondContact O-N 3.38Å; S28-L32 VanDerWaalsContact O-N 3.15Å; Y29-L32 PolarHBondContact O-N 3.46Å; L32-A35 PolarHBondContact O-N 3.16Å; L32-I36 HydrophobicContact CD1-CD1 3.77Å; L32-I36 HydrophobicContact CD1-CG1 4.27Å; L32-I36 HydrophobicContact CG-CD1 3.96Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.87Å |
| 33 | Y | 95.5 | Very high | 93 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -48.3 | 176.3 | 163.1 | -96.8 | 0 | 0 | 0 | 111.5 | Y29 Y30 E31 I36 S37 Y75 F114 N117 Y118 | Y29-Y33 VanDerWaalsContact O-CB 3.23Å; Y29-Y33 WeakPolarHBondContact O-CB 3.45Å; Y29-Y33 PolarHBondContact O-N 3.16Å; Y30-Y33 WeakPolarHBondContact O-CB 3.38Å; Y30-Y33 PolarHBondContact O-N 3.24Å; E31-Y33 VanDerWaalsContact C-N 3.32Å; E31-Y33 PolarHBondContact O-N 3.43Å; Y33-I36 PolarHBondContact O-N 3.42Å; Y33-S37 VanDerWaalsContact O-CB 3.25Å; Y33-S37 WeakPolarHBondContact O-CB 3.3Å; Y33-S37 PolarHBondContact O-N 3.32Å; Y33-Y75 HydrophobicContact CE2-CE1 4.36Å; Y33-F114 AromaticContact CD1-CD1 3.58Å; Y33-F114 HydrophobicContact CD1-CD1 3.58Å; Y33-F114 AromaticContact CD1-CE1 3.74Å; Y33-F114 HydrophobicContact CD1-CE1 3.74Å; Y33-F114 HydrophobicContact CD2-CB 3.95Å; Y33-F114 AromaticContact CD2-CD1 3.59Å; Y33-F114 HydrophobicContact CD2-CD1 3.59Å; Y33-F114 HydrophobicContact CD2-CE1 4.48Å; Y33-F114 HydrophobicContact CD2-CG 4.15Å; Y33-F114 HydrophobicContact CE1-CD1 4.02Å; Y33-F114 HydrophobicContact CE1-CE1 4.37Å; Y33-F114 HydrophobicContact CE2-CB 4.22Å; Y33-F114 HydrophobicContact CE2-CD1 4Å; Y33-F114 AromaticContact CG-CD1 3.34Å; Y33-F114 HydrophobicContact CG-CD1 3.34Å; Y33-F114 AromaticContact CG-CE1 3.81Å; Y33-F114 HydrophobicContact CG-CE1 3.81Å; Y33-F114 HydrophobicContact CG-CG 4.21Å; Y33-N117 PolarHBondContact OH-OD1 3.07Å; Y33-Y118 HydrophobicContact CE2-CD2 4.43Å; Y33-Y118 WeakPolarHBondContact OH-CA 3.47Å; Y33-Y118 PolarHBondContact OH-N 2.87Å |
| 34 | M | 93.4 | Very high | 93.2 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 178.6 | -71.7 | -59.6 | -60.4 | 0 | 0 | 111.1 | Y30 E31 I36 S37 D38 | Y30-M34 HydrophobicContact CD1-CG 4.2Å; Y30-M34 HydrophobicContact CE1-CG 3.72Å; Y30-M34 HydrophobicContact CE1-SD 4.49Å; Y30-M34 HydrophobicContact CE2-CG 4.38Å; Y30-M34 HydrophobicContact CE2-SD 4.42Å; Y30-M34 WeakPolarHBondContact O-CG 3.29Å; Y30-M34 PolarHBondContact O-N 3.1Å; E31-M34 PolarHBondContact O-N 2.93Å; M34-I36 VanDerWaalsContact C-N 3.33Å; M34-I36 PolarHBondContact O-N 3.37Å; M34-S37 PolarHBondContact O-N 3.46Å; M34-D38 PolarHBondContact O-N 3.39Å |
| 35 | A | 95.4 | Very high | 93.2 | Very high | 52 Ų | 52 | 58 Ų | 58 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E31 L32 E39 | E31-A35 PolarHBondContact O-N 2.85Å; E31-A35 VanDerWaalsContact O-N 3.12Å; L32-A35 PolarHBondContact O-N 3.16Å; A35-E39 WeakPolarHBondContact O-CG 3.42Å; A35-E39 PolarHBondContact O-N 2.92Å |
| 36 | I | 95.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73 | -34.6 | 179.7 | -69.5 | 174.5 | 0 | 0 | 0 | 111.8 | M15 L16 L19 L32 Y33 M34 D38 E39 L40 | M15-I36 HydrophobicContact CE-CG2 4.27Å; M15-I36 HydrophobicContact CG-CD1 4.43Å; M15-I36 HydrophobicContact CG-CG1 4.18Å; L16-I36 HydrophobicContact CD2-CG2 3.55Å; L19-I36 HydrophobicContact CD1-CB 4.46Å; L19-I36 HydrophobicContact CD1-CD1 4.17Å; L19-I36 HydrophobicContact CD1-CG2 3.96Å; L19-I36 HydrophobicContact CD2-CD1 3.72Å; L19-I36 HydrophobicContact CG-CD1 3.58Å; L32-I36 HydrophobicContact CD1-CD1 3.77Å; L32-I36 HydrophobicContact CD1-CG1 4.27Å; L32-I36 HydrophobicContact CG-CD1 3.96Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.87Å; Y33-I36 PolarHBondContact O-N 3.42Å; M34-I36 VanDerWaalsContact C-N 3.33Å; M34-I36 PolarHBondContact O-N 3.37Å; I36-D38 VanDerWaalsContact C-N 3.33Å; I36-E39 PolarHBondContact O-N 3.43Å; I36-L40 HydrophobicContact CG2-CD1 4.5Å; I36-L40 HydrophobicContact CG2-CG 4.41Å; I36-L40 WeakPolarHBondContact O-CB 3.08Å; I36-L40 WeakPolarHBondContact O-CG 3.3Å; I36-L40 PolarHBondContact O-N 3.01Å |
| 37 | S | 94.3 | Very high | 93.4 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | Y33 M34 L40 H41 Y118 | Y33-S37 VanDerWaalsContact O-CB 3.25Å; Y33-S37 WeakPolarHBondContact O-CB 3.3Å; Y33-S37 PolarHBondContact O-N 3.32Å; M34-S37 PolarHBondContact O-N 3.46Å; S37-L40 PolarHBondContact O-N 3.24Å; S37-H41 PolarHBondContact O-N 2.67Å; S37-Y118 WeakPolarHBondContact OG-CE2 3.46Å |
| 38 | D | 93.9 | Very high | 93.5 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.2 | -68.3 | -16.3 | 0 | 0 | 0 | 111.2 | M34 I36 L40 H41 Y42 | M34-D38 PolarHBondContact O-N 3.39Å; I36-D38 VanDerWaalsContact C-N 3.33Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L40 PolarHBondContact O-N 3.27Å; D38-H41 WeakPolarHBondContact O-CB 3.4Å; D38-H41 PolarHBondContact O-N 3.13Å; D38-Y42 WeakPolarHBondContact O-CD2 3.35Å; D38-Y42 PolarHBondContact O-N 3.43Å |
| 39 | E | 95 | Very high | 93.3 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 175.8 | -65.8 | -57.7 | 145.8 | 0 | 0 | 112.6 | M15 A35 I36 H41 Y42 | M15-E39 HydrophobicContact CE-CB 3.77Å; M15-E39 HydrophobicContact SD-CB 3.86Å; M15-E39 HydrophobicContact SD-CG 4.15Å; A35-E39 WeakPolarHBondContact O-CG 3.42Å; A35-E39 PolarHBondContact O-N 2.92Å; I36-E39 PolarHBondContact O-N 3.43Å; E39-H41 VanDerWaalsContact C-N 3.3Å; E39-H41 PolarHBondContact O-N 3.44Å; E39-Y42 PolarHBondContact O-N 2.99Å |
| 40 | L | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -30.2 | 174.3 | -79.3 | -172.4 | 0 | 0 | 0 | 113 | M15 L16 I36 S37 D38 Y42 L43 E44 Y75 L76 Y118 | M15-L40 HydrophobicContact CE-CD2 4.42Å; L16-L40 HydrophobicContact CD1-CD2 4.27Å; L16-L40 HydrophobicContact CD2-CD1 3.87Å; L16-L40 HydrophobicContact CD2-CG 4.41Å; I36-L40 HydrophobicContact CG2-CD1 4.5Å; I36-L40 HydrophobicContact CG2-CG 4.41Å; I36-L40 WeakPolarHBondContact O-CB 3.08Å; I36-L40 WeakPolarHBondContact O-CG 3.3Å; I36-L40 PolarHBondContact O-N 3.01Å; S37-L40 PolarHBondContact O-N 3.24Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L40 PolarHBondContact O-N 3.27Å; L40-Y42 VanDerWaalsContact C-N 3.34Å; L40-L43 HydrophobicContact CD2-CD2 4.31Å; L40-L43 WeakPolarHBondContact O-CB 3.42Å; L40-L43 PolarHBondContact O-N 3.34Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L40-E44 PolarHBondContact O-N 3.44Å; L40-Y75 HydrophobicContact CD1-CD1 3.76Å; L40-Y75 HydrophobicContact CD1-CG 4.3Å; L40-L76 HydrophobicContact CD2-CD2 4.46Å; L40-Y118 WeakPolarHBondContact CB-OH 3.49Å; L40-Y118 HydrophobicContact CD1-CE1 4.26Å; L40-Y118 HydrophobicContact CD1-CE2 4.21Å; L40-Y118 WeakPolarHBondContact CD1-OH 3.5Å |
| 41 | H | 93.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 176.2 | -175.3 | 59.1 | 0 | 0 | 0 | 111.5 | S37 D38 E39 L43 E44 V45 | S37-H41 PolarHBondContact O-N 2.67Å; D38-H41 WeakPolarHBondContact O-CB 3.4Å; D38-H41 PolarHBondContact O-N 3.13Å; E39-H41 VanDerWaalsContact C-N 3.3Å; E39-H41 PolarHBondContact O-N 3.44Å; H41-L43 VanDerWaalsContact C-N 3.25Å; H41-L43 PolarHBondContact O-N 2.94Å; H41-E44 IonicContact CE1-OE2 2.94Å; H41-E44 IonicContact ND1-OE2 2.86Å; H41-E44 PolarHBondContact ND1-OE2 3.47Å; H41-E44 WeakPolarHBondContact O-CB 3.24Å; H41-E44 PolarHBondContact O-N 3.48Å; H41-V45 WeakPolarHBondContact O-CG2 3.36Å; H41-V45 PolarHBondContact O-N 2.84Å |
| 42 | Y | 93.6 | Very high | 92.4 | Very high | 162 Ų | 162 | 50.6 Ų | 50.6 | 64% | 0.635 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.3 | -38.7 | 171.7 | -65.6 | -58.6 | 0 | 0 | 0 | 112.2 | D38 E39 L40 Y46 | D38-Y42 WeakPolarHBondContact O-CD2 3.35Å; D38-Y42 PolarHBondContact O-N 3.43Å; E39-Y42 PolarHBondContact O-N 2.99Å; L40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-Y46 VanDerWaalsContact O-CB 3.3Å; Y42-Y46 WeakPolarHBondContact O-CB 3.29Å; Y42-Y46 PolarHBondContact O-N 2.95Å |
| 43 | L | 92.9 | Very high | 92 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 175.9 | -178.6 | 63.4 | 0 | 0 | 0 | 111.9 | L5 L9 A12 L40 H41 Y46 L47 L76 | L5-L43 HydrophobicContact CD1-CD1 4.34Å; L9-L43 HydrophobicContact CD2-CD2 4.16Å; A12-L43 HydrophobicContact CB-CD2 4.23Å; L40-L43 HydrophobicContact CD2-CD2 4.31Å; L40-L43 WeakPolarHBondContact O-CB 3.42Å; L40-L43 PolarHBondContact O-N 3.34Å; L40-L43 VanDerWaalsContact O-N 3.15Å; H41-L43 VanDerWaalsContact C-N 3.25Å; H41-L43 PolarHBondContact O-N 2.94Å; L43-Y46 PolarHBondContact O-N 2.86Å; L43-L47 HydrophobicContact CD1-CD1 4.4Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.32Å; L43-L76 HydrophobicContact CD2-CD2 3.99Å |
| 44 | E | 91.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 175.2 | -171.9 | -146.8 | 153.4 | 0 | 0 | 111.5 | L40 H41 L47 T48 T79 V83 R86 | L40-E44 PolarHBondContact O-N 3.44Å; H41-E44 IonicContact CE1-OE2 2.94Å; H41-E44 IonicContact ND1-OE2 2.86Å; H41-E44 PolarHBondContact ND1-OE2 3.47Å; H41-E44 WeakPolarHBondContact O-CB 3.24Å; H41-E44 PolarHBondContact O-N 3.48Å; E44-L47 PolarHBondContact O-N 3.08Å; E44-T48 WeakPolarHBondContact O-CB 3.18Å; E44-T48 PolarHBondContact O-N 2.82Å; E44-T48 PolarHBondContact O-OG1 3.03Å; E44-T79 HydrophobicContact CB-CG2 3.79Å; E44-T79 HydrophobicContact CG-CG2 4.24Å; E44-V83 HydrophobicContact CG-CG2 4.44Å; E44-R86 IonicContact OE1-CZ 2.77Å; E44-R86 VanDerWaalsContact OE1-CZ 3.31Å; E44-R86 IonicContact OE1-NH1 3.91Å; E44-R86 PolarHBondContact OE1-NH1 3.03Å; E44-R86 IonicContact OE1-NH2 2.71Å; E44-R86 PolarHBondContact OE1-NH2 3.15Å |
| 45 | V | 92.3 | Very high | 90.8 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.376 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | -179.6 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | H41 L47 T48 D49 | H41-V45 WeakPolarHBondContact O-CG2 3.36Å; H41-V45 PolarHBondContact O-N 2.84Å; V45-L47 VanDerWaalsContact C-N 3.32Å; V45-L47 PolarHBondContact O-N 3.19Å; V45-T48 PolarHBondContact O-N 3.44Å; V45-D49 PolarHBondContact O-N 3.19Å |
| 46 | Y | 92.1 | Very high | 90.2 | Very high | 68 Ų | 68 | 63.4 Ų | 63.4 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 175.9 | 172.7 | -92.4 | 0 | 0 | 0 | 112.3 | L5 Y42 L43 E50 | L5-Y46 HydrophobicContact CD1-CE1 4.16Å; Y42-Y46 VanDerWaalsContact O-CB 3.3Å; Y42-Y46 WeakPolarHBondContact O-CB 3.29Å; Y42-Y46 PolarHBondContact O-N 2.95Å; L43-Y46 PolarHBondContact O-N 2.86Å; Y46-E50 HydrophobicContact CE1-CG 4.09Å; Y46-E50 HydrophobicContact CE2-CG 4.15Å; Y46-E50 WeakPolarHBondContact O-CG 3.3Å; Y46-E50 PolarHBondContact O-N 2.62Å; Y46-E50 VanDerWaalsContact O-N 3.09Å |
| 47 | L | 90.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -42 | 178.7 | -74.8 | 175 | 0 | 0 | 0 | 111.9 | L5 L43 E44 V45 D49 E50 F51 L60 V80 V83 | L5-L47 HydrophobicContact CD1-CD2 3.77Å; L5-L47 HydrophobicContact CD2-CD2 3.91Å; L43-L47 HydrophobicContact CD1-CD1 4.4Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.32Å; E44-L47 PolarHBondContact O-N 3.08Å; V45-L47 VanDerWaalsContact C-N 3.32Å; V45-L47 PolarHBondContact O-N 3.19Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 2.92Å; L47-E50 PolarHBondContact O-N 2.99Å; L47-F51 WeakPolarHBondContact O-CB 3.04Å; L47-F51 WeakPolarHBondContact O-CD2 3.4Å; L47-F51 PolarHBondContact O-N 3.39Å; L47-L60 HydrophobicContact CD1-CD2 4.4Å; L47-L60 HydrophobicContact CD2-CD2 3.88Å; L47-V80 HydrophobicContact CD1-CG2 4.11Å; L47-V83 HydrophobicContact CB-CG1 4.33Å; L47-V83 HydrophobicContact CB-CG2 3.92Å |
| 48 | T | 89.8 | Confident | 89.1 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | E44 V45 F51 A52 R86 | E44-T48 WeakPolarHBondContact O-CB 3.18Å; E44-T48 PolarHBondContact O-N 2.82Å; E44-T48 PolarHBondContact O-OG1 3.03Å; V45-T48 PolarHBondContact O-N 3.44Å; T48-F51 PolarHBondContact O-N 3.41Å; T48-A52 WeakPolarHBondContact O-CB 3.3Å; T48-A52 PolarHBondContact O-N 3.37Å; T48-R86 PolarHBondContact OG1-NH1 2.9Å |
| 49 | D | 89.8 | Confident | 88.7 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 179.3 | -86.2 | 6.3 | 0 | 0 | 0 | 113.3 | V45 L47 F51 A52 K53 | V45-D49 PolarHBondContact O-N 3.19Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 2.92Å; D49-F51 VanDerWaalsContact C-N 3.34Å; D49-A52 PolarHBondContact O-N 3Å; D49-K53 WeakPolarHBondContact O-CB 3.49Å; D49-K53 WeakPolarHBondContact O-CD 3.46Å; D49-K53 WeakPolarHBondContact O-CG 3.37Å; D49-K53 PolarHBondContact O-N 3.04Å; D49-K53 IonicContact OD2-NZ 3.33Å |
| 50 | E | 88.7 | Confident | 88.5 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 178.9 | -76.6 | -67.7 | 129.1 | 0 | 0 | 111.5 | Y46 L47 K53 R55 | Y46-E50 HydrophobicContact CE1-CG 4.09Å; Y46-E50 HydrophobicContact CE2-CG 4.15Å; Y46-E50 WeakPolarHBondContact O-CG 3.3Å; Y46-E50 PolarHBondContact O-N 2.62Å; Y46-E50 VanDerWaalsContact O-N 3.09Å; L47-E50 PolarHBondContact O-N 2.99Å; E50-K53 PolarHBondContact O-N 2.99Å; E50-R55 PolarHBondContact O-N 3.47Å; E50-R55 IonicContact OE1-NH1 3.53Å; E50-R55 WeakPolarHBondContact OE2-CD 3.42Å; E50-R55 IonicContact OE2-NH1 3.56Å |
| 51 | F | 87.7 | Confident | 88.3 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 175.3 | -86.4 | -117.1 | 0 | 0 | 0 | 111.9 | L47 T48 D49 K53 G54 K56 L60 V83 Y84 F88 | L47-F51 WeakPolarHBondContact O-CB 3.04Å; L47-F51 WeakPolarHBondContact O-CD2 3.4Å; L47-F51 PolarHBondContact O-N 3.39Å; T48-F51 PolarHBondContact O-N 3.41Å; D49-F51 VanDerWaalsContact C-N 3.34Å; F51-K53 VanDerWaalsContact C-N 3.32Å; F51-K53 PolarHBondContact O-N 3.48Å; F51-G54 PolarHBondContact O-N 2.89Å; F51-G54 VanDerWaalsContact O-N 3.1Å; F51-K56 HydrophobicContact CD1-CB 4.35Å; F51-K56 HydrophobicContact CD1-CG 4.04Å; F51-K56 HydrophobicContact CE1-CB 4.32Å; F51-K56 HydrophobicContact CE1-CG 4.48Å; F51-K56 HydrophobicContact CG-CG 4.43Å; F51-L60 HydrophobicContact CE2-CD2 3.85Å; F51-L60 HydrophobicContact CZ-CB 4.49Å; F51-L60 HydrophobicContact CZ-CD2 3.88Å; F51-V83 HydrophobicContact CB-CG1 4.36Å; F51-V83 HydrophobicContact CD1-CG1 4.29Å; F51-V83 HydrophobicContact CD2-CG1 4.21Å; F51-V83 HydrophobicContact CG-CG1 4.03Å; F51-Y84 HydrophobicContact CE1-CD2 4.49Å; F51-Y84 HydrophobicContact CE1-CE2 4.04Å; F51-Y84 HydrophobicContact CZ-CE2 4.08Å; F51-F88 HydrophobicContact CD1-CE2 4.47Å; F51-F88 HydrophobicContact CE1-CE2 4.21Å |
| 52 | A | 85.6 | Confident | 88.3 | Confident | 85 Ų | 85 | 65.5 Ų | 65.5 | 70% | 0.702 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.9 | -35.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T48 D49 G54 | T48-A52 WeakPolarHBondContact O-CB 3.3Å; T48-A52 PolarHBondContact O-N 3.37Å; D49-A52 PolarHBondContact O-N 3Å; A52-G54 PolarHBondContact O-N 3.31Å |
| 53 | K | 86.4 | Confident | 88.1 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 4.3 | 174.7 | -69.2 | 165.4 | -168 | 160.8 | 0 | 113.8 | D49 E50 F51 R55 | D49-K53 WeakPolarHBondContact O-CB 3.49Å; D49-K53 WeakPolarHBondContact O-CD 3.46Å; D49-K53 WeakPolarHBondContact O-CG 3.37Å; D49-K53 PolarHBondContact O-N 3.04Å; D49-K53 IonicContact OD2-NZ 3.33Å; E50-K53 PolarHBondContact O-N 2.99Å; F51-K53 VanDerWaalsContact C-N 3.32Å; F51-K53 PolarHBondContact O-N 3.48Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 2.94Å |
| 54 | G | 79.9 | Confident | 88.1 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | F51 A52 K56 | F51-G54 PolarHBondContact O-N 2.89Å; F51-G54 VanDerWaalsContact O-N 3.1Å; A52-G54 PolarHBondContact O-N 3.31Å; G54-K56 PolarHBondContact O-N 3.19Å; G54-K56 VanDerWaalsContact O-N 3.08Å |
| 55 | R | 83.9 | Confident | 88.2 | Confident | 148 Ų | 148 | 61.8 Ų | 61.8 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | trans | -88.2 | 58.6 | 177.4 | -64.7 | 174.2 | -179.8 | 172.2 | 2.1 | 110.6 | E50 K53 V57 | E50-R55 PolarHBondContact O-N 3.47Å; E50-R55 IonicContact OE1-NH1 3.53Å; E50-R55 WeakPolarHBondContact OE2-CD 3.42Å; E50-R55 IonicContact OE2-NH1 3.56Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 2.94Å; R55-V57 PolarHBondContact O-N 2.83Å | ||
| 56 | K | 83.9 | Confident | 88.1 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | trans | -70.8 | 122 | -177.1 | -59.4 | -175.4 | 178.8 | -170.6 | 0 | 109.9 | F51 G54 F88 | F51-K56 HydrophobicContact CD1-CB 4.35Å; F51-K56 HydrophobicContact CD1-CG 4.04Å; F51-K56 HydrophobicContact CE1-CB 4.32Å; F51-K56 HydrophobicContact CE1-CG 4.48Å; F51-K56 HydrophobicContact CG-CG 4.43Å; G54-K56 PolarHBondContact O-N 3.19Å; G54-K56 VanDerWaalsContact O-N 3.08Å; K56-F88 HydrophobicContact CD-CE1 4.41Å; K56-F88 HydrophobicContact CD-CZ 3.98Å | ||
| 57 | V | 82.9 | Confident | 88 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | trans | -82.9 | 115.1 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | L5 M6 R55 L60 | L5-V57 HydrophobicContact CD2-CG2 3.93Å; M6-V57 HydrophobicContact CE-CG1 4.44Å; R55-V57 PolarHBondContact O-N 2.83Å; V57-L60 HydrophobicContact CG1-CB 4.45Å; V57-L60 HydrophobicContact CG1-CD1 4.44Å | ||
| 58 | A | 82.9 | Confident | 87.8 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 59% | 0.587 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 147 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L60 | A58-L60 PolarHBondContact O-N 3.01Š|
| 59 | D | 86.4 | Confident | 88 | Confident | 112 Ų | 112 | 69.2 Ų | 69.2 | 60% | 0.599 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 22.3 | 173.9 | -48 | -34.7 | 0 | 0 | 0 | 115.3 | Y61 E62 L63 | D59-Y61 PolarHBondContact O-N 2.76Å; D59-E62 PolarHBondContact O-N 3.4Å; D59-L63 WeakPolarHBondContact O-CG 3.5Å; D59-L63 PolarHBondContact O-N 3.08Å |
| 60 | L | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.9 | -34 | -179.6 | -174.6 | 64.9 | 0 | 0 | 0 | 112.6 | L5 L9 L47 F51 V57 A58 E62 L63 V64 V80 Y84 | L5-L60 HydrophobicContact CD2-CD1 4.27Å; L9-L60 HydrophobicContact CD1-CD1 4.06Å; L47-L60 HydrophobicContact CD1-CD2 4.4Å; L47-L60 HydrophobicContact CD2-CD2 3.88Å; F51-L60 HydrophobicContact CE2-CD2 3.85Å; F51-L60 HydrophobicContact CZ-CB 4.49Å; F51-L60 HydrophobicContact CZ-CD2 3.88Å; V57-L60 HydrophobicContact CG1-CB 4.45Å; V57-L60 HydrophobicContact CG1-CD1 4.44Å; A58-L60 PolarHBondContact O-N 3.01Å; L60-E62 VanDerWaalsContact C-N 3.29Å; L60-E62 PolarHBondContact O-N 3.38Å; L60-L63 PolarHBondContact O-N 3.22Å; L60-V64 HydrophobicContact CD1-CG1 4.46Å; L60-V64 PolarHBondContact O-N 3Å; L60-V80 HydrophobicContact CB-CG1 4.32Å; L60-V80 HydrophobicContact CD2-CG1 4.07Å; L60-V80 HydrophobicContact CD2-CG2 4.1Å; L60-V80 HydrophobicContact CG-CG1 3.86Å; L60-V80 HydrophobicContact CG-CG2 4.04Å; L60-Y84 HydrophobicContact CB-CE2 4.03Å; L60-Y84 PolarHBondContact N-OH 3.45Å; L60-Y84 VanDerWaalsContact N-OH 3.07Å |
| 61 | Y | 91 | Very high | 88.5 | Confident | 34 Ų | 34 | 67 Ų | 67 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -33.4 | 174.9 | -165 | -96.2 | 0 | 0 | 0 | 112.8 | D59 Q65 L77 V80 Y84 I95 D98 L99 | D59-Y61 PolarHBondContact O-N 2.76Å; Y61-Q65 WeakPolarHBondContact O-CG 3.33Å; Y61-Q65 PolarHBondContact O-NE2 2.9Å; Y61-L77 HydrophobicContact CD1-CD1 4.11Å; Y61-L77 HydrophobicContact CD2-CD1 3.91Å; Y61-L77 HydrophobicContact CE1-CD1 3.83Å; Y61-L77 HydrophobicContact CE2-CD1 3.6Å; Y61-L77 HydrophobicContact CE2-CG 4.26Å; Y61-L77 HydrophobicContact CG-CD1 4.15Å; Y61-V80 HydrophobicContact CD2-CG1 4.33Å; Y61-Y84 PolarHBondContact N-OH 3.01Å; Y61-I95 HydrophobicContact CE2-CG2 4.08Å; Y61-D98 PolarHBondContact OH-OD2 2.84Å; Y61-L99 HydrophobicContact CE2-CD2 4.4Å |
| 62 | E | 92.1 | Very high | 88.9 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -81.9 | -41.5 | 174.8 | -169.1 | -174.2 | 154.1 | 0 | 0 | 111.3 | D59 L60 V64 Q65 Y66 | D59-E62 PolarHBondContact O-N 3.4Å; L60-E62 VanDerWaalsContact C-N 3.29Å; L60-E62 PolarHBondContact O-N 3.38Å; E62-V64 VanDerWaalsContact C-N 3.32Å; E62-V64 PolarHBondContact O-N 3.36Å; E62-Q65 WeakPolarHBondContact O-CA 3.45Å; E62-Q65 VanDerWaalsContact O-CB 3.23Å; E62-Q65 WeakPolarHBondContact O-CB 3.39Å; E62-Q65 PolarHBondContact O-N 3.33Å; E62-Y66 HydrophobicContact CG-CE1 4.02Å; E62-Y66 PolarHBondContact OE1-OH 2.74Å |
| 63 | L | 90.9 | Very high | 89.4 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 29% | 0.293 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | -176.5 | -75.2 | 167.4 | 0 | 0 | 0 | 113.3 | M6 D59 L60 Q65 Y66 | M6-L63 HydrophobicContact CE-CD1 3.72Å; D59-L63 WeakPolarHBondContact O-CG 3.5Å; D59-L63 PolarHBondContact O-N 3.08Å; L60-L63 PolarHBondContact O-N 3.22Å; L63-Q65 PolarHBondContact O-N 3.44Å; L63-Y66 HydrophobicContact CD2-CD2 4.23Å; L63-Y66 HydrophobicContact CD2-CE2 3.95Å; L63-Y66 WeakPolarHBondContact O-CB 3.23Å; L63-Y66 PolarHBondContact O-N 2.94Å |
| 64 | V | 92.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -68.3 | -18.3 | 176.8 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | L9 L60 E62 Y66 A67 L76 L77 V80 | L9-V64 HydrophobicContact CD1-CG1 4.31Å; L9-V64 HydrophobicContact CD2-CG1 4.27Å; L60-V64 HydrophobicContact CD1-CG1 4.46Å; L60-V64 PolarHBondContact O-N 3Å; E62-V64 VanDerWaalsContact C-N 3.32Å; E62-V64 PolarHBondContact O-N 3.36Å; V64-Y66 VanDerWaalsContact C-N 3.3Å; V64-Y66 PolarHBondContact O-N 3.18Å; V64-A67 WeakPolarHBondContact O-CB 3.35Å; V64-A67 PolarHBondContact O-N 2.61Å; V64-L76 HydrophobicContact CB-CB 3.93Å; V64-L76 HydrophobicContact CG1-CB 4.11Å; V64-L77 HydrophobicContact CG2-CB 4.36Å; V64-L77 HydrophobicContact CG2-CD1 3.97Å; V64-V80 HydrophobicContact CG1-CG2 3.76Å; V64-V80 HydrophobicContact CG2-CB 4.38Å; V64-V80 HydrophobicContact CG2-CG2 4.28Å |
| 65 | Q | 92.6 | Very high | 90.6 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 27% | 0.271 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -75.9 | -17.1 | 176.4 | -59.6 | -177.9 | 50.7 | 0 | 0 | 113.5 | Y61 E62 L63 A67 R73 L77 | Y61-Q65 WeakPolarHBondContact O-CG 3.33Å; Y61-Q65 PolarHBondContact O-NE2 2.9Å; E62-Q65 WeakPolarHBondContact O-CA 3.45Å; E62-Q65 VanDerWaalsContact O-CB 3.23Å; E62-Q65 WeakPolarHBondContact O-CB 3.39Å; E62-Q65 PolarHBondContact O-N 3.33Å; L63-Q65 PolarHBondContact O-N 3.44Å; Q65-A67 PolarHBondContact O-N 3.37Å; Q65-R73 WeakPolarHBondContact O-CD 3.49Å; Q65-L77 HydrophobicContact CG-CD1 3.82Å; Q65-L77 HydrophobicContact CG-CD2 4.49Å |
| 66 | Y | 91.3 | Very high | 91.2 | Very high | 155 Ų | 155 | 50.6 Ų | 50.6 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -71 | -8.2 | 175.1 | -60.2 | -16.4 | 0 | 0 | 0 | 113.3 | E62 L63 V64 G68 | E62-Y66 HydrophobicContact CG-CE1 4.02Å; E62-Y66 PolarHBondContact OE1-OH 2.74Å; L63-Y66 HydrophobicContact CD2-CD2 4.23Å; L63-Y66 HydrophobicContact CD2-CE2 3.95Å; L63-Y66 WeakPolarHBondContact O-CB 3.23Å; L63-Y66 PolarHBondContact O-N 2.94Å; V64-Y66 VanDerWaalsContact C-N 3.3Å; V64-Y66 PolarHBondContact O-N 3.18Å; Y66-G68 PolarHBondContact O-N 2.87Å; Y66-G68 VanDerWaalsContact O-N 3.11Å |
| 67 | A | 89.7 | Confident | 91.7 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | trans | -60.1 | 114.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V64 Q65 N69 R73 | V64-A67 WeakPolarHBondContact O-CB 3.35Å; V64-A67 PolarHBondContact O-N 2.61Å; Q65-A67 PolarHBondContact O-N 3.37Å; A67-N69 VanDerWaalsContact C-N 3.26Å; A67-N69 PolarHBondContact O-N 3.29Å; A67-R73 HydrophobicContact CB-CB 4.03Å | ||
| 68 | G | 86.7 | Confident | 92.4 | Very high | 76 Ų | 76 | 43 Ų | 43 | 78% | 0.784 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -64.7 | -24.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y66 | Y66-G68 PolarHBondContact O-N 2.87Å; Y66-G68 VanDerWaalsContact O-N 3.11Å |
| 69 | N | 93.1 | Very high | 92.9 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -95.8 | 132.3 | 177.9 | -71.6 | -51.6 | 0 | 0 | 0 | 111.2 | R20 A67 I71 P72 R73 | R20-N69 PolarHBondContact NH1-ND2 3.26Å; R20-N69 PolarHBondContact NH2-OD1 2.97Å; A67-N69 VanDerWaalsContact C-N 3.26Å; A67-N69 PolarHBondContact O-N 3.29Å; N69-I71 PolarHBondContact O-N 3.25Å; N69-P72 HydrophobicContact CB-CG 4.01Å; N69-P72 WeakPolarHBondContact O-CD 3.29Å; N69-R73 VanDerWaalsContact O-CB 3.28Å; N69-R73 WeakPolarHBondContact O-CB 3.37Å; N69-R73 PolarHBondContact O-N 3.49Å |
| 70 | I | 94.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 34.5 Ų | 34.5 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.1 | -36.2 | -173.1 | -165.9 | 166.6 | 0 | 0 | 0 | 114.7 | R73 L74 V106 | I70-R73 PolarHBondContact O-N 2.93Å; I70-L74 HydrophobicContact CD1-CD1 4.19Å; I70-L74 HydrophobicContact CG1-CD1 3.71Å; I70-L74 HydrophobicContact CG1-CG 4.03Å; I70-L74 WeakPolarHBondContact O-CB 3.42Å; I70-L74 VanDerWaalsContact O-CG 3.32Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.46Å; I70-V106 HydrophobicContact CD1-CG2 3.99Å; I70-V106 HydrophobicContact CG1-CG2 4.07Å; I70-V106 HydrophobicContact CG2-CG2 4.25Å |
| 71 | I | 94.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -58.7 | -179.5 | -66.8 | -66.7 | 0 | 0 | 0 | 110.4 | L19 R20 N69 R73 L74 Y75 V106 R111 | L19-I71 HydrophobicContact CB-CG2 3.9Å; R20-I71 HydrophobicContact CG-CB 4.03Å; R20-I71 HydrophobicContact CG-CG1 4.27Å; R20-I71 HydrophobicContact CG-CG2 4.41Å; N69-I71 PolarHBondContact O-N 3.25Å; I71-R73 PolarHBondContact O-N 3.49Å; I71-L74 PolarHBondContact O-N 2.85Å; I71-Y75 HydrophobicContact CG2-CD2 3.91Å; I71-Y75 HydrophobicContact CG2-CE2 3.92Å; I71-Y75 WeakPolarHBondContact O-CD2 3.49Å; I71-Y75 PolarHBondContact O-N 3.26Å; I71-Y75 VanDerWaalsContact O-N 3.12Å; I71-V106 HydrophobicContact CD1-CG1 4Å; I71-V106 HydrophobicContact CD1-CG2 4.04Å; I71-R111 HydrophobicContact CD1-CB 4.08Å |
| 72 | P | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51 | -43 | 172.6 | -28.9 | 34 | 0 | 0 | 0 | 113.6 | L16 N69 L76 | L16-P72 HydrophobicContact CB-CB 3.88Å; L16-P72 HydrophobicContact CB-CG 3.89Å; L16-P72 HydrophobicContact CD1-CB 4.42Å; N69-P72 HydrophobicContact CB-CG 4.01Å; N69-P72 WeakPolarHBondContact O-CD 3.29Å; P72-L76 WeakPolarHBondContact O-CB 3.43Å; P72-L76 VanDerWaalsContact O-CG 3.3Å; P72-L76 WeakPolarHBondContact O-CG 3.33Å; P72-L76 PolarHBondContact O-N 2.65Å; P72-L76 VanDerWaalsContact O-N 3.1Å |
| 73 | R | 95.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 28 Ų | 28 | 28% | 0.275 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -57.2 | -52.9 | 178.7 | -177.8 | 168.9 | 67.5 | -167.3 | 3.5 | 112.4 | Q65 A67 N69 I70 I71 L76 L77 | Q65-R73 WeakPolarHBondContact O-CD 3.49Å; A67-R73 HydrophobicContact CB-CB 4.03Å; N69-R73 VanDerWaalsContact O-CB 3.28Å; N69-R73 WeakPolarHBondContact O-CB 3.37Å; N69-R73 PolarHBondContact O-N 3.49Å; I70-R73 PolarHBondContact O-N 2.93Å; I71-R73 PolarHBondContact O-N 3.49Å; R73-L76 PolarHBondContact O-N 3.16Å; R73-L77 WeakPolarHBondContact O-CB 3.48Å; R73-L77 PolarHBondContact O-N 3.01Å |
| 74 | L | 96 | Very high | 93.3 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.3 | -36.4 | -174 | -68 | 177.9 | 0 | 0 | 0 | 112.6 | I70 I71 L77 I78 M102 V106 L115 | I70-L74 HydrophobicContact CD1-CD1 4.19Å; I70-L74 HydrophobicContact CG1-CD1 3.71Å; I70-L74 HydrophobicContact CG1-CG 4.03Å; I70-L74 WeakPolarHBondContact O-CB 3.42Å; I70-L74 VanDerWaalsContact O-CG 3.32Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.46Å; I71-L74 PolarHBondContact O-N 2.85Å; L74-L77 HydrophobicContact CD2-CD2 4.08Å; L74-L77 PolarHBondContact O-N 3.42Å; L74-I78 WeakPolarHBondContact O-CB 3.23Å; L74-I78 WeakPolarHBondContact O-CD1 3.38Å; L74-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 PolarHBondContact O-N 3.38Å; L74-M102 HydrophobicContact CD2-CB 4.07Å; L74-V106 HydrophobicContact CD1-CG2 3.62Å; L74-L115 HydrophobicContact CB-CD1 3.96Å; L74-L115 HydrophobicContact CB-CD2 3.93Å; L74-L115 HydrophobicContact CD1-CD2 3.6Å; L74-L115 HydrophobicContact CG-CD2 4.43Å |
| 75 | Y | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.3 | -85.7 | -90 | 0 | 0 | 0 | 111.6 | L16 L19 Y33 L40 I71 L77 I78 T79 L115 Y118 | L16-Y75 HydrophobicContact CD2-CD1 4.29Å; L16-Y75 HydrophobicContact CD2-CD2 4.31Å; L16-Y75 HydrophobicContact CD2-CG 3.89Å; L19-Y75 HydrophobicContact CD1-CD2 4.39Å; L19-Y75 HydrophobicContact CD1-CE1 4.27Å; L19-Y75 HydrophobicContact CD1-CE2 3.91Å; Y33-Y75 HydrophobicContact CE2-CE1 4.36Å; L40-Y75 HydrophobicContact CD1-CD1 3.76Å; L40-Y75 HydrophobicContact CD1-CG 4.3Å; I71-Y75 HydrophobicContact CG2-CD2 3.91Å; I71-Y75 HydrophobicContact CG2-CE2 3.92Å; I71-Y75 WeakPolarHBondContact O-CD2 3.49Å; I71-Y75 PolarHBondContact O-N 3.26Å; I71-Y75 VanDerWaalsContact O-N 3.12Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-I78 PolarHBondContact O-N 3.27Å; Y75-T79 PolarHBondContact O-N 2.93Å; Y75-T79 PolarHBondContact O-OG1 3.14Å; Y75-T79 VanDerWaalsContact O-OG1 3.09Å; Y75-L115 HydrophobicContact CD1-CD1 4.42Å; Y75-L115 HydrophobicContact CD2-CD1 3.57Å; Y75-L115 HydrophobicContact CE1-CD1 4.39Å; Y75-L115 HydrophobicContact CE2-CB 4.1Å; Y75-L115 HydrophobicContact CE2-CD1 3.52Å; Y75-L115 HydrophobicContact CE2-CG 4.39Å; Y75-L115 HydrophobicContact CG-CD1 4.04Å; Y75-L115 WeakPolarHBondContact OH-CA 3.23Å; Y75-L115 PolarHBondContact OH-N 3.4Å; Y75-Y118 AromaticContact CD1-CD1 3.48Å; Y75-Y118 HydrophobicContact CD1-CD1 3.48Å; Y75-Y118 VanDerWaalsContact CD1-CD1 3.48Å; Y75-Y118 HydrophobicContact CD1-CD2 4.32Å; Y75-Y118 AromaticContact CD1-CE1 3.71Å; Y75-Y118 HydrophobicContact CD1-CE1 3.71Å; Y75-Y118 AromaticContact CD1-CG 3.82Å; Y75-Y118 HydrophobicContact CD1-CG 3.82Å; Y75-Y118 AromaticContact CE1-CD1 3.72Å; Y75-Y118 HydrophobicContact CE1-CD1 3.72Å; Y75-Y118 HydrophobicContact CE1-CD2 4.09Å; Y75-Y118 HydrophobicContact CE1-CE1 4.35Å; Y75-Y118 AromaticContact CE1-CG 3.58Å; Y75-Y118 HydrophobicContact CE1-CG 3.58Å; Y75-Y118 HydrophobicContact CG-CD1 4.47Å |
| 76 | L | 95.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 174.8 | -67.4 | 175.7 | 0 | 0 | 0 | 111.9 | L9 A12 L16 L40 L43 V64 P72 R73 T79 V80 | L9-L76 HydrophobicContact CD2-CD2 4.06Å; A12-L76 HydrophobicContact CB-CD2 4.08Å; L16-L76 HydrophobicContact CD1-CD1 4.48Å; L16-L76 HydrophobicContact CD1-CD2 4.01Å; L16-L76 HydrophobicContact CD1-CG 3.8Å; L40-L76 HydrophobicContact CD2-CD2 4.46Å; L43-L76 HydrophobicContact CD2-CD2 3.99Å; V64-L76 HydrophobicContact CB-CB 3.93Å; V64-L76 HydrophobicContact CG1-CB 4.11Å; P72-L76 WeakPolarHBondContact O-CB 3.43Å; P72-L76 VanDerWaalsContact O-CG 3.3Å; P72-L76 WeakPolarHBondContact O-CG 3.33Å; P72-L76 PolarHBondContact O-N 2.65Å; P72-L76 VanDerWaalsContact O-N 3.1Å; R73-L76 PolarHBondContact O-N 3.16Å; L76-T79 PolarHBondContact O-N 3.32Å; L76-V80 WeakPolarHBondContact O-CB 3.4Å; L76-V80 WeakPolarHBondContact O-CG2 3.21Å; L76-V80 PolarHBondContact O-N 3.23Å |
| 77 | L | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 177 | -172.7 | 65.4 | 0 | 0 | 0 | 111.9 | Y61 V64 Q65 R73 L74 Y75 G81 L99 | Y61-L77 HydrophobicContact CD1-CD1 4.11Å; Y61-L77 HydrophobicContact CD2-CD1 3.91Å; Y61-L77 HydrophobicContact CE1-CD1 3.83Å; Y61-L77 HydrophobicContact CE2-CD1 3.6Å; Y61-L77 HydrophobicContact CE2-CG 4.26Å; Y61-L77 HydrophobicContact CG-CD1 4.15Å; V64-L77 HydrophobicContact CG2-CB 4.36Å; V64-L77 HydrophobicContact CG2-CD1 3.97Å; Q65-L77 HydrophobicContact CG-CD1 3.82Å; Q65-L77 HydrophobicContact CG-CD2 4.49Å; R73-L77 WeakPolarHBondContact O-CB 3.48Å; R73-L77 PolarHBondContact O-N 3.01Å; L74-L77 HydrophobicContact CD2-CD2 4.08Å; L74-L77 PolarHBondContact O-N 3.42Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; L77-G81 WeakPolarHBondContact O-CA 3.37Å; L77-G81 PolarHBondContact O-N 3.36Å; L77-L99 HydrophobicContact CD2-CD2 4.15Å; L77-L99 HydrophobicContact CG-CD2 3.76Å |
| 78 | I | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -49.4 | 174.8 | -69 | 164.4 | 0 | 0 | 0 | 110.1 | L74 Y75 V80 G81 V82 L99 L115 Y118 L119 C122 | L74-I78 WeakPolarHBondContact O-CB 3.23Å; L74-I78 WeakPolarHBondContact O-CD1 3.38Å; L74-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 PolarHBondContact O-N 3.38Å; Y75-I78 PolarHBondContact O-N 3.27Å; I78-V80 VanDerWaalsContact C-N 3.34Å; I78-V80 PolarHBondContact O-N 2.79Å; I78-G81 PolarHBondContact O-N 2.82Å; I78-V82 HydrophobicContact CG2-CG2 4.46Å; I78-V82 VanDerWaalsContact O-CG2 3.29Å; I78-V82 WeakPolarHBondContact O-CG2 3.17Å; I78-V82 PolarHBondContact O-N 3.2Å; I78-L99 HydrophobicContact CG1-CD2 4.29Å; I78-L115 HydrophobicContact CD1-CD1 3.57Å; I78-L115 HydrophobicContact CD1-CG 4.31Å; I78-Y118 HydrophobicContact CB-CD1 4.29Å; I78-Y118 HydrophobicContact CB-CE1 4.12Å; I78-Y118 HydrophobicContact CD1-CD1 4.14Å; I78-Y118 HydrophobicContact CG2-CD1 3.87Å; I78-Y118 HydrophobicContact CG2-CE1 3.76Å; I78-L119 HydrophobicContact CD1-CB 3.94Å; I78-L119 HydrophobicContact CD1-CD1 4.27Å; I78-L119 HydrophobicContact CG1-CD1 4.02Å; I78-L119 HydrophobicContact CG2-CD1 4.16Å; I78-C122 HydrophobicContact CG2-CB 3.92Å |
| 79 | T | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | E44 Y75 L76 V83 Y118 | E44-T79 HydrophobicContact CB-CG2 3.79Å; E44-T79 HydrophobicContact CG-CG2 4.24Å; Y75-T79 PolarHBondContact O-N 2.93Å; Y75-T79 PolarHBondContact O-OG1 3.14Å; Y75-T79 VanDerWaalsContact O-OG1 3.09Å; L76-T79 PolarHBondContact O-N 3.32Å; T79-V83 WeakPolarHBondContact O-CG2 3.46Å; T79-V83 PolarHBondContact O-N 3.21Å; T79-Y118 PolarHBondContact OG1-OH 2.63Å |
| 80 | V | 93.4 | Very high | 92 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.1 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L47 L60 Y61 V64 L76 I78 V82 V83 Y84 | L47-V80 HydrophobicContact CD1-CG2 4.11Å; L60-V80 HydrophobicContact CB-CG1 4.32Å; L60-V80 HydrophobicContact CD2-CG1 4.07Å; L60-V80 HydrophobicContact CD2-CG2 4.1Å; L60-V80 HydrophobicContact CG-CG1 3.86Å; L60-V80 HydrophobicContact CG-CG2 4.04Å; Y61-V80 HydrophobicContact CD2-CG1 4.33Å; V64-V80 HydrophobicContact CG1-CG2 3.76Å; V64-V80 HydrophobicContact CG2-CB 4.38Å; V64-V80 HydrophobicContact CG2-CG2 4.28Å; L76-V80 WeakPolarHBondContact O-CB 3.4Å; L76-V80 WeakPolarHBondContact O-CG2 3.21Å; L76-V80 PolarHBondContact O-N 3.23Å; I78-V80 VanDerWaalsContact C-N 3.34Å; I78-V80 PolarHBondContact O-N 2.79Å; V80-V82 VanDerWaalsContact C-N 3.35Å; V80-V82 PolarHBondContact O-N 3.22Å; V80-V83 WeakPolarHBondContact O-CB 3.31Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-V83 VanDerWaalsContact O-N 3.16Å; V80-Y84 HydrophobicContact CG1-CD2 3.6Å; V80-Y84 HydrophobicContact CG1-CE2 3.53Å; V80-Y84 VanDerWaalsContact O-CD2 3.29Å; V80-Y84 WeakPolarHBondContact O-CD2 3.17Å; V80-Y84 PolarHBondContact O-N 2.92Å |
| 81 | G | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L77 I78 V83 Y84 V85 | L77-G81 WeakPolarHBondContact O-CA 3.37Å; L77-G81 PolarHBondContact O-N 3.36Å; I78-G81 PolarHBondContact O-N 2.82Å; G81-V83 VanDerWaalsContact C-N 3.35Å; G81-V83 PolarHBondContact O-N 2.85Å; G81-Y84 WeakPolarHBondContact O-CB 3.18Å; G81-Y84 PolarHBondContact O-N 3.48Å; G81-Y84 VanDerWaalsContact O-N 3.16Å; G81-V85 WeakPolarHBondContact O-CG2 3.26Å; G81-V85 PolarHBondContact O-N 2.96Å |
| 82 | V | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | I78 V80 Y84 V85 R86 C122 T123 I126 | I78-V82 HydrophobicContact CG2-CG2 4.46Å; I78-V82 VanDerWaalsContact O-CG2 3.29Å; I78-V82 WeakPolarHBondContact O-CG2 3.17Å; I78-V82 PolarHBondContact O-N 3.2Å; V80-V82 VanDerWaalsContact C-N 3.35Å; V80-V82 PolarHBondContact O-N 3.22Å; V82-Y84 VanDerWaalsContact C-N 3.31Å; V82-Y84 PolarHBondContact O-N 2.91Å; V82-V85 PolarHBondContact O-N 3.38Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 3.31Å; V82-R86 VanDerWaalsContact O-N 3.1Å; V82-C122 HydrophobicContact CG2-CB 3.63Å; V82-T123 HydrophobicContact CG2-CG2 4.43Å; V82-I126 HydrophobicContact CB-CD1 4.11Å; V82-I126 HydrophobicContact CG1-CD1 3.83Å; V82-I126 HydrophobicContact CG1-CG1 4.48Å; V82-I126 HydrophobicContact CG1-CG2 4.42Å; V82-I126 HydrophobicContact CG2-CD1 3.92Å |
| 83 | V | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | E44 L47 F51 T79 V80 G81 R86 S87 | E44-V83 HydrophobicContact CG-CG2 4.44Å; L47-V83 HydrophobicContact CB-CG1 4.33Å; L47-V83 HydrophobicContact CB-CG2 3.92Å; F51-V83 HydrophobicContact CB-CG1 4.36Å; F51-V83 HydrophobicContact CD1-CG1 4.29Å; F51-V83 HydrophobicContact CD2-CG1 4.21Å; F51-V83 HydrophobicContact CG-CG1 4.03Å; T79-V83 WeakPolarHBondContact O-CG2 3.46Å; T79-V83 PolarHBondContact O-N 3.21Å; V80-V83 WeakPolarHBondContact O-CB 3.31Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-V83 VanDerWaalsContact O-N 3.16Å; G81-V83 VanDerWaalsContact C-N 3.35Å; G81-V83 PolarHBondContact O-N 2.85Å; V83-R86 PolarHBondContact O-N 3.21Å; V83-S87 VanDerWaalsContact O-CB 3.27Å; V83-S87 WeakPolarHBondContact O-CB 3.38Å; V83-S87 PolarHBondContact O-N 3.43Å; V83-S87 PolarHBondContact O-OG 3.23Å |
| 84 | Y | 89.9 | Confident | 91 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 176.3 | -91.6 | -118.5 | 0 | 0 | 0 | 112.2 | F51 L60 Y61 V80 G81 V82 R86 S87 F88 I95 | F51-Y84 HydrophobicContact CE1-CD2 4.49Å; F51-Y84 HydrophobicContact CE1-CE2 4.04Å; F51-Y84 HydrophobicContact CZ-CE2 4.08Å; L60-Y84 HydrophobicContact CB-CE2 4.03Å; L60-Y84 PolarHBondContact N-OH 3.45Å; L60-Y84 VanDerWaalsContact N-OH 3.07Å; Y61-Y84 PolarHBondContact N-OH 3.01Å; V80-Y84 HydrophobicContact CG1-CD2 3.6Å; V80-Y84 HydrophobicContact CG1-CE2 3.53Å; V80-Y84 VanDerWaalsContact O-CD2 3.29Å; V80-Y84 WeakPolarHBondContact O-CD2 3.17Å; V80-Y84 PolarHBondContact O-N 2.92Å; G81-Y84 WeakPolarHBondContact O-CB 3.18Å; G81-Y84 PolarHBondContact O-N 3.48Å; G81-Y84 VanDerWaalsContact O-N 3.16Å; V82-Y84 VanDerWaalsContact C-N 3.31Å; V82-Y84 PolarHBondContact O-N 2.91Å; Y84-R86 VanDerWaalsContact C-N 3.26Å; Y84-R86 PolarHBondContact O-N 3.25Å; Y84-S87 PolarHBondContact O-N 2.93Å; Y84-S87 VanDerWaalsContact O-N 3.14Å; Y84-F88 AromaticContact CD1-CD2 3.81Å; Y84-F88 HydrophobicContact CD1-CD2 3.81Å; Y84-F88 HydrophobicContact CD1-CE2 4.05Å; Y84-F88 HydrophobicContact CE1-CD2 4.29Å; Y84-F88 HydrophobicContact CE1-CE2 4.09Å; Y84-F88 HydrophobicContact CG-CD2 4.17Å; Y84-F88 HydrophobicContact CG-CE2 4.46Å; Y84-F88 WeakPolarHBondContact O-CA 3.37Å; Y84-F88 WeakPolarHBondContact O-CB 3.38Å; Y84-F88 PolarHBondContact O-N 2.95Å; Y84-I95 HydrophobicContact CD1-CD1 4.33Å; Y84-I95 HydrophobicContact CG-CD1 4.42Å |
| 85 | V | 90 | Very high | 90.9 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.8 | -41.7 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | G81 V82 R92 I95 L96 I126 | G81-V85 WeakPolarHBondContact O-CG2 3.26Å; G81-V85 PolarHBondContact O-N 2.96Å; V82-V85 PolarHBondContact O-N 3.38Å; V85-R92 HydrophobicContact CG1-CB 3.98Å; V85-R92 HydrophobicContact CG1-CG 3.61Å; V85-I95 HydrophobicContact CG2-CB 4.01Å; V85-I95 HydrophobicContact CG2-CD1 4.48Å; V85-I95 HydrophobicContact CG2-CG2 3.81Å; V85-L96 HydrophobicContact CG2-CG 4.49Å; V85-I126 HydrophobicContact CB-CD1 3.85Å; V85-I126 HydrophobicContact CG1-CB 3.97Å; V85-I126 HydrophobicContact CG1-CD1 3.79Å; V85-I126 HydrophobicContact CG1-CG1 4.42Å; V85-I126 HydrophobicContact CG2-CD1 4.14Å |
| 86 | R | 87.6 | Confident | 90.7 | Very high | 103 Ų | 103 | 28.5 Ų | 28.5 | 39% | 0.389 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -69 | -37.2 | 175.8 | -68.5 | -178.6 | -175.1 | 148.9 | 8.1 | 113.2 | E44 T48 V82 V83 Y84 I126 | E44-R86 IonicContact OE1-CZ 2.77Å; E44-R86 VanDerWaalsContact OE1-CZ 3.31Å; E44-R86 IonicContact OE1-NH1 3.91Å; E44-R86 PolarHBondContact OE1-NH1 3.03Å; E44-R86 IonicContact OE1-NH2 2.71Å; E44-R86 PolarHBondContact OE1-NH2 3.15Å; T48-R86 PolarHBondContact OG1-NH1 2.9Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 3.31Å; V82-R86 VanDerWaalsContact O-N 3.1Å; V83-R86 PolarHBondContact O-N 3.21Å; Y84-R86 VanDerWaalsContact C-N 3.26Å; Y84-R86 PolarHBondContact O-N 3.25Å; R86-I126 HydrophobicContact CG-CG2 3.84Å |
| 87 | S | 86.6 | Confident | 90.6 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -88.2 | -20.9 | -173.3 | -57.9 | 0 | 0 | 0 | 0 | 114.2 | V83 Y84 | V83-S87 VanDerWaalsContact O-CB 3.27Å; V83-S87 WeakPolarHBondContact O-CB 3.38Å; V83-S87 PolarHBondContact O-N 3.43Å; V83-S87 PolarHBondContact O-OG 3.23Å; Y84-S87 PolarHBondContact O-N 2.93Å; Y84-S87 VanDerWaalsContact O-N 3.14Å |
| 88 | F | 86.6 | Confident | 90.6 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 23% | 0.232 | 18% | 0.18 | C | C | . | . | trans | -140.7 | 76.3 | -175.1 | -56.4 | -73.2 | 0 | 0 | 0 | 110.2 | F51 K56 Y84 Q90 S91 | F51-F88 HydrophobicContact CD1-CE2 4.47Å; F51-F88 HydrophobicContact CE1-CE2 4.21Å; K56-F88 HydrophobicContact CD-CE1 4.41Å; K56-F88 HydrophobicContact CD-CZ 3.98Å; Y84-F88 AromaticContact CD1-CD2 3.81Å; Y84-F88 HydrophobicContact CD1-CD2 3.81Å; Y84-F88 HydrophobicContact CD1-CE2 4.05Å; Y84-F88 HydrophobicContact CE1-CD2 4.29Å; Y84-F88 HydrophobicContact CE1-CE2 4.09Å; Y84-F88 HydrophobicContact CG-CD2 4.17Å; Y84-F88 HydrophobicContact CG-CE2 4.46Å; Y84-F88 WeakPolarHBondContact O-CA 3.37Å; Y84-F88 WeakPolarHBondContact O-CB 3.38Å; Y84-F88 PolarHBondContact O-N 2.95Å; F88-Q90 VanDerWaalsContact CA-OE1 3.31Å; F88-Q90 PolarHBondContact O-N 3.49Å; F88-Q90 VanDerWaalsContact O-N 3.08Å; F88-S91 PolarHBondContact O-N 2.95Å; F88-S91 PolarHBondContact O-OG 3.48Å | ||
| 89 | P | 83.2 | Confident | 90.5 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -58 | -26.4 | -174.6 | -21.7 | 32.5 | 0 | 0 | 0 | 114.3 | S91 R92 M140 T141 | P89-S91 PolarHBondContact O-N 3.33Å; P89-R92 VanDerWaalsContact O-CB 3.23Å; P89-R92 WeakPolarHBondContact O-CB 3.41Å; P89-R92 PolarHBondContact O-N 3.15Å; P89-M140 HydrophobicContact CB-CG 3.5Å; P89-T141 PolarHBondContact O-N 3.4Å; P89-T141 PolarHBondContact O-OG1 3.37Å |
| 90 | Q | 85.5 | Confident | 90.6 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -63.2 | -22.9 | 175.8 | 66.4 | -84.9 | 29.4 | 0 | 0 | 114 | F88 T141 | F88-Q90 VanDerWaalsContact CA-OE1 3.31Å; F88-Q90 PolarHBondContact O-N 3.49Å; F88-Q90 VanDerWaalsContact O-N 3.08Å; Q90-T141 WeakPolarHBondContact O-CG2 3.34Å; Q90-T141 PolarHBondContact O-OG1 3.19Å |
| 91 | S | 87.9 | Confident | 90.6 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -101 | 3.7 | -179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | F88 P89 K93 D94 I95 | F88-S91 PolarHBondContact O-N 2.95Å; F88-S91 PolarHBondContact O-OG 3.48Å; P89-S91 PolarHBondContact O-N 3.33Å; S91-K93 PolarHBondContact O-N 3.21Å; S91-D94 PolarHBondContact O-N 3.43Å; S91-I95 WeakPolarHBondContact O-CB 3.42Å; S91-I95 VanDerWaalsContact O-CG1 3.3Å; S91-I95 WeakPolarHBondContact O-CG1 3.48Å; S91-I95 PolarHBondContact O-N 2.82Å; S91-I95 VanDerWaalsContact OG-CD1 3.29Å; S91-I95 WeakPolarHBondContact OG-CD1 3.32Å |
| 92 | R | 88.9 | Confident | 90.6 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.038 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -54 | -172.5 | 173.3 | 169.2 | 74.6 | 162.7 | 1.3 | 112.9 | V85 P89 D94 I95 L96 P128 E132 T141 G142 | V85-R92 HydrophobicContact CG1-CB 3.98Å; V85-R92 HydrophobicContact CG1-CG 3.61Å; P89-R92 VanDerWaalsContact O-CB 3.23Å; P89-R92 WeakPolarHBondContact O-CB 3.41Å; P89-R92 PolarHBondContact O-N 3.15Å; R92-D94 VanDerWaalsContact C-N 3.34Å; R92-D94 PolarHBondContact O-N 2.85Å; R92-I95 PolarHBondContact O-N 3.09Å; R92-L96 HydrophobicContact CG-CD1 3.86Å; R92-L96 WeakPolarHBondContact O-CB 3.24Å; R92-L96 VanDerWaalsContact O-CG 3.3Å; R92-L96 WeakPolarHBondContact O-CG 3.37Å; R92-L96 PolarHBondContact O-N 3.26Å; R92-P128 HydrophobicContact CG-CG 4.5Å; R92-E132 IonicContact CZ-OE2 3.01Å; R92-E132 VanDerWaalsContact NH1-CD 3.25Å; R92-E132 IonicContact NH1-OE1 3.89Å; R92-E132 PolarHBondContact NH1-OE1 3.4Å; R92-E132 IonicContact NH1-OE2 3.79Å; R92-E132 PolarHBondContact NH1-OE2 3.2Å; R92-E132 IonicContact NH2-OE2 3.84Å; R92-E132 PolarHBondContact NH2-OE2 3.06Å; R92-E132 VanDerWaalsContact NH2-OE2 3.13Å; R92-T141 PolarHBondContact N-OG1 2.78Å; R92-T141 PolarHBondContact NE-O 3.25Å; R92-G142 PolarHBondContact NH2-O 3.45Å; R92-G142 VanDerWaalsContact NH2-O 3.14Å |
| 93 | K | 90.3 | Very high | 90.8 | Very high | 77 Ų | 77 | 44 Ų | 44 | 34% | 0.335 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.5 | -47.9 | -179 | -179.8 | -179.5 | -179.2 | 127.9 | 0 | 111.8 | S91 K97 D146 | S91-K93 PolarHBondContact O-N 3.21Å; K93-K97 WeakPolarHBondContact O-CB 3.45Å; K93-K97 PolarHBondContact O-N 3.48Å; K93-D146 WeakPolarHBondContact CD-OD2 3.43Å; K93-D146 WeakPolarHBondContact CE-OD1 3.38Å; K93-D146 WeakPolarHBondContact CE-OD2 3.5Å; K93-D146 IonicContact NZ-OD1 3.13Å; K93-D146 PolarHBondContact NZ-OD1 2.91Å; K93-D146 IonicContact NZ-OD2 3.39Å; K93-D146 PolarHBondContact NZ-OD2 3.36Å |
| 94 | D | 91.9 | Very high | 90.8 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 60% | 0.599 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -68.6 | -42.3 | -175 | -65.4 | -26.3 | 0 | 0 | 0 | 111.4 | S91 R92 K97 D98 | S91-D94 PolarHBondContact O-N 3.43Å; R92-D94 VanDerWaalsContact C-N 3.34Å; R92-D94 PolarHBondContact O-N 2.85Å; D94-K97 PolarHBondContact O-N 2.91Å; D94-D98 VanDerWaalsContact O-CB 3.24Å; D94-D98 WeakPolarHBondContact O-CB 3.48Å; D94-D98 PolarHBondContact O-N 3.38Å |
| 95 | I | 93.4 | Very high | 90.8 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 177.4 | -67.2 | 174.7 | 0 | 0 | 0 | 110.9 | Y61 Y84 V85 S91 R92 K97 D98 L99 | Y61-I95 HydrophobicContact CE2-CG2 4.08Å; Y84-I95 HydrophobicContact CD1-CD1 4.33Å; Y84-I95 HydrophobicContact CG-CD1 4.42Å; V85-I95 HydrophobicContact CG2-CB 4.01Å; V85-I95 HydrophobicContact CG2-CD1 4.48Å; V85-I95 HydrophobicContact CG2-CG2 3.81Å; S91-I95 WeakPolarHBondContact O-CB 3.42Å; S91-I95 VanDerWaalsContact O-CG1 3.3Å; S91-I95 WeakPolarHBondContact O-CG1 3.48Å; S91-I95 PolarHBondContact O-N 2.82Å; S91-I95 VanDerWaalsContact OG-CD1 3.29Å; S91-I95 WeakPolarHBondContact OG-CD1 3.32Å; R92-I95 PolarHBondContact O-N 3.09Å; I95-K97 VanDerWaalsContact C-N 3.3Å; I95-K97 PolarHBondContact O-N 3.18Å; I95-D98 PolarHBondContact O-N 2.93Å; I95-L99 HydrophobicContact CG2-CD1 3.84Å; I95-L99 HydrophobicContact CG2-CG 4.05Å; I95-L99 WeakPolarHBondContact O-CB 3.49Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.3Å; I95-L99 PolarHBondContact O-N 3.44Å |
| 96 | L | 93.3 | Very high | 91 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 177.8 | -73 | 173.4 | 0 | 0 | 0 | 110.9 | V85 R92 V100 T123 I126 L127 P128 F150 | V85-L96 HydrophobicContact CG2-CG 4.49Å; R92-L96 HydrophobicContact CG-CD1 3.86Å; R92-L96 WeakPolarHBondContact O-CB 3.24Å; R92-L96 VanDerWaalsContact O-CG 3.3Å; R92-L96 WeakPolarHBondContact O-CG 3.37Å; R92-L96 PolarHBondContact O-N 3.26Å; L96-V100 WeakPolarHBondContact O-CG1 3.41Å; L96-V100 PolarHBondContact O-N 3.34Å; L96-T123 HydrophobicContact CD2-CG2 3.72Å; L96-I126 HydrophobicContact CD2-CD1 4.25Å; L96-L127 HydrophobicContact CD1-CD2 4.31Å; L96-L127 HydrophobicContact CD2-CD2 4.47Å; L96-P128 HydrophobicContact CD1-CG 4.43Å; L96-F150 HydrophobicContact CB-CD2 4.08Å; L96-F150 HydrophobicContact CB-CE2 4.25Å; L96-F150 HydrophobicContact CD2-CE2 4.25Å; L96-F150 HydrophobicContact CD2-CZ 4.45Å; L96-F150 WeakPolarHBondContact O-CD2 3.37Å; L96-F150 WeakPolarHBondContact O-CE2 3.39Å |
| 97 | K | 93.4 | Very high | 91.3 | Very high | 135 Ų | 135 | 48.5 Ų | 48.5 | 59% | 0.587 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.7 | -43.2 | 176.7 | -170.7 | 169.9 | -176.7 | 171 | 0 | 112.2 | K93 D94 I95 V100 E101 | K93-K97 WeakPolarHBondContact O-CB 3.45Å; K93-K97 PolarHBondContact O-N 3.48Å; D94-K97 PolarHBondContact O-N 2.91Å; I95-K97 VanDerWaalsContact C-N 3.3Å; I95-K97 PolarHBondContact O-N 3.18Å; K97-V100 VanDerWaalsContact O-CG1 3.26Å; K97-V100 WeakPolarHBondContact O-CG1 3.42Å; K97-E101 VanDerWaalsContact O-CB 3.31Å; K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 WeakPolarHBondContact O-CG 3.32Å; K97-E101 PolarHBondContact O-N 3.03Å; K97-E101 VanDerWaalsContact O-N 3.14Å |
| 98 | D | 94.9 | Very high | 91.6 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 177.5 | -175.7 | 52.3 | 0 | 0 | 0 | 111.5 | Y61 D94 I95 V100 E101 M102 | Y61-D98 PolarHBondContact OH-OD2 2.84Å; D94-D98 VanDerWaalsContact O-CB 3.24Å; D94-D98 WeakPolarHBondContact O-CB 3.48Å; D94-D98 PolarHBondContact O-N 3.38Å; I95-D98 PolarHBondContact O-N 2.93Å; D98-V100 PolarHBondContact O-N 3.39Å; D98-E101 PolarHBondContact O-N 2.85Å; D98-M102 WeakPolarHBondContact O-CB 3.48Å; D98-M102 WeakPolarHBondContact O-CG 3.19Å; D98-M102 PolarHBondContact O-N 3.33Å |
| 99 | L | 94.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | -179.5 | -71.1 | 176.8 | 0 | 0 | 0 | 112.6 | Y61 L77 I78 I95 C103 L119 | Y61-L99 HydrophobicContact CE2-CD2 4.4Å; L77-L99 HydrophobicContact CD2-CD2 4.15Å; L77-L99 HydrophobicContact CG-CD2 3.76Å; I78-L99 HydrophobicContact CG1-CD2 4.29Å; I95-L99 HydrophobicContact CG2-CD1 3.84Å; I95-L99 HydrophobicContact CG2-CG 4.05Å; I95-L99 WeakPolarHBondContact O-CB 3.49Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.3Å; I95-L99 PolarHBondContact O-N 3.44Å; L99-C103 WeakPolarHBondContact O-CB 3.44Å; L99-C103 PolarHBondContact O-N 3.5Å; L99-C103 PolarHBondContact O-SG 3.11Å; L99-L119 HydrophobicContact CB-CD1 4.06Å; L99-L119 HydrophobicContact CD1-CD1 4.27Å |
| 100 | V | 94.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.6 | -34.2 | -179.9 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | L96 K97 D98 L119 F150 L153 N154 | L96-V100 WeakPolarHBondContact O-CG1 3.41Å; L96-V100 PolarHBondContact O-N 3.34Å; K97-V100 VanDerWaalsContact O-CG1 3.26Å; K97-V100 WeakPolarHBondContact O-CG1 3.42Å; D98-V100 PolarHBondContact O-N 3.39Å; V100-L119 HydrophobicContact CB-CD2 4.35Å; V100-F150 HydrophobicContact CB-CD2 3.81Å; V100-F150 HydrophobicContact CB-CE2 3.62Å; V100-F150 HydrophobicContact CB-CZ 4.49Å; V100-F150 HydrophobicContact CG1-CD2 3.77Å; V100-F150 HydrophobicContact CG1-CE2 4.06Å; V100-F150 HydrophobicContact CG2-CD2 4.44Å; V100-F150 HydrophobicContact CG2-CE2 4.37Å; V100-L153 HydrophobicContact CG1-CD2 3.83Å; V100-L153 HydrophobicContact CG2-CB 4.49Å; V100-L153 HydrophobicContact CG2-CD2 3.94Å; V100-L153 HydrophobicContact CG2-CG 4.05Å; V100-N154 HydrophobicContact CG2-CB 4.31Å |
| 101 | E | 93.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.8 | -46.7 | 174.7 | -75.7 | -67.7 | 158.4 | 0 | 0 | 111.3 | K97 D98 C103 R104 | K97-E101 VanDerWaalsContact O-CB 3.31Å; K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 WeakPolarHBondContact O-CG 3.32Å; K97-E101 PolarHBondContact O-N 3.03Å; K97-E101 VanDerWaalsContact O-N 3.14Å; D98-E101 PolarHBondContact O-N 2.85Å; E101-C103 PolarHBondContact O-N 3.47Å; E101-R104 VanDerWaalsContact CD-NH1 3.28Å; E101-R104 WeakPolarHBondContact O-CB 3.25Å; E101-R104 WeakPolarHBondContact O-CG 3.48Å; E101-R104 PolarHBondContact O-N 3.1Å; E101-R104 IonicContact OE1-CZ 3.81Å; E101-R104 IonicContact OE1-NE 3.61Å; E101-R104 IonicContact OE1-NH1 2.76Å; E101-R104 PolarHBondContact OE1-NH1 3.12Å; E101-R104 VanDerWaalsContact OE1-NH1 3.15Å; E101-R104 IonicContact OE1-NH2 3Å; E101-R104 PolarHBondContact OE1-NH2 3.23Å; E101-R104 WeakPolarHBondContact OE2-CD 3.47Å; E101-R104 IonicContact OE2-CZ 3.31Å; E101-R104 IonicContact OE2-NE 2.95Å; E101-R104 PolarHBondContact OE2-NE 3.23Å; E101-R104 IonicContact OE2-NH1 3.04Å; E101-R104 PolarHBondContact OE2-NH1 3.39Å; E101-R104 IonicContact OE2-NH2 2.76Å |
| 102 | M | 93.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64 | -29.7 | 177.5 | -68.2 | -61.7 | -82.5 | 0 | 0 | 112.3 | L74 D98 R104 G105 | L74-M102 HydrophobicContact CD2-CB 4.07Å; D98-M102 WeakPolarHBondContact O-CB 3.48Å; D98-M102 WeakPolarHBondContact O-CG 3.19Å; D98-M102 PolarHBondContact O-N 3.33Å; M102-R104 PolarHBondContact O-N 2.92Å; M102-G105 PolarHBondContact O-N 3.2Å |
| 103 | C | 94.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -63.6 | -17.9 | 171.1 | -74.1 | 0 | 0 | 0 | 0 | 113.6 | L99 E101 G105 V106 R116 | L99-C103 WeakPolarHBondContact O-CB 3.44Å; L99-C103 PolarHBondContact O-N 3.5Å; L99-C103 PolarHBondContact O-SG 3.11Å; E101-C103 PolarHBondContact O-N 3.47Å; C103-G105 PolarHBondContact O-N 3.49Å; C103-V106 PolarHBondContact O-N 3.28Å; C103-R116 HydrophobicContact CB-CG 4.48Å |
| 104 | R | 91.6 | Very high | 93.8 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 36% | 0.362 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -63.6 | -17.9 | 170.6 | -62.7 | -179.9 | 175.6 | 164.8 | 5.5 | 112.3 | E101 M102 V106 Q107 L153 | E101-R104 VanDerWaalsContact CD-NH1 3.28Å; E101-R104 WeakPolarHBondContact O-CB 3.25Å; E101-R104 WeakPolarHBondContact O-CG 3.48Å; E101-R104 PolarHBondContact O-N 3.1Å; E101-R104 IonicContact OE1-CZ 3.81Å; E101-R104 IonicContact OE1-NE 3.61Å; E101-R104 IonicContact OE1-NH1 2.76Å; E101-R104 PolarHBondContact OE1-NH1 3.12Å; E101-R104 VanDerWaalsContact OE1-NH1 3.15Å; E101-R104 IonicContact OE1-NH2 3Å; E101-R104 PolarHBondContact OE1-NH2 3.23Å; E101-R104 WeakPolarHBondContact OE2-CD 3.47Å; E101-R104 IonicContact OE2-CZ 3.31Å; E101-R104 IonicContact OE2-NE 2.95Å; E101-R104 PolarHBondContact OE2-NE 3.23Å; E101-R104 IonicContact OE2-NH1 3.04Å; E101-R104 PolarHBondContact OE2-NH1 3.39Å; E101-R104 IonicContact OE2-NH2 2.76Å; M102-R104 PolarHBondContact O-N 2.92Å; R104-V106 PolarHBondContact O-N 3.49Å; R104-Q107 PolarHBondContact O-NE2 3.21Å; R104-L153 VanDerWaalsContact NH2-CD1 3.33Å |
| 105 | G | 90.9 | Very high | 94 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 51% | 0.505 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -63.3 | -20.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M102 C103 | M102-G105 PolarHBondContact O-N 3.2Å; C103-G105 PolarHBondContact O-N 3.49Å |
| 106 | V | 94.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | trans | -105.8 | 94.3 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | I70 I71 L74 C103 R104 R111 L115 | I70-V106 HydrophobicContact CD1-CG2 3.99Å; I70-V106 HydrophobicContact CG1-CG2 4.07Å; I70-V106 HydrophobicContact CG2-CG2 4.25Å; I71-V106 HydrophobicContact CD1-CG1 4Å; I71-V106 HydrophobicContact CD1-CG2 4.04Å; L74-V106 HydrophobicContact CD1-CG2 3.62Å; C103-V106 PolarHBondContact O-N 3.28Å; R104-V106 PolarHBondContact O-N 3.49Å; V106-R111 HydrophobicContact CG1-CB 4.3Å; V106-L115 HydrophobicContact CB-CD2 4.2Å; V106-L115 HydrophobicContact CG2-CD2 3.84Å | ||
| 107 | Q | 93.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 33.7 Ų | 33.7 | 39% | 0.388 | 17% | 0.168 | S | C | . | . | trans | -89.9 | -2.7 | 179.8 | -65.9 | -63.9 | -41.4 | 0 | 0 | 113.9 | R104 L161 R164 | R104-Q107 PolarHBondContact O-NE2 3.21Å; Q107-L161 WeakPolarHBondContact O-CD2 3.49Å; Q107-R164 PolarHBondContact O-NH1 2.98Å; Q107-R164 VanDerWaalsContact OE1-CZ 3.3Å | ||
| 108 | H | 93.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 26% | 0.255 | 14% | 0.14 | S | C | . | . | trans | -72.1 | 124.1 | 177.3 | -177.3 | -78.4 | 0 | 0 | 0 | 110.2 | L110 R111 G112 | H108-L110 PolarHBondContact ND1-N 3.26Å; H108-L110 PolarHBondContact O-N 3.08Å; H108-R111 HydrophobicContact CB-CB 4.42Å; H108-R111 PolarHBondContact CD2-NH2 3.1Å; H108-R111 PolarHBondContact ND1-N 3.02Å; H108-R111 PolarHBondContact NE2-NH2 3.14Å; H108-G112 WeakPolarHBondContact O-CA 3.28Å; H108-G112 PolarHBondContact O-N 3Å | ||
| 109 | P | 93.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.3 | -56.6 | -170.1 | -31 | 38.2 | 0 | 0 | 0 | 115.3 | L113 L161 R164 M165 | P109-L113 WeakPolarHBondContact O-CB 3.16Å; P109-L113 VanDerWaalsContact O-CG 3.26Å; P109-L113 WeakPolarHBondContact O-CG 3.17Å; P109-L113 PolarHBondContact O-N 3.28Å; P109-L161 WeakPolarHBondContact CB-O 3.36Å; P109-R164 HydrophobicContact CG-CB 4.09Å; P109-R164 HydrophobicContact CG-CG 3.94Å; P109-M165 HydrophobicContact CB-CB 4.39Å; P109-M165 HydrophobicContact CB-CG 3.31Å; P109-M165 HydrophobicContact CB-SD 4.4Å; P109-M165 HydrophobicContact CG-CG 4.3Å |
| 110 | L | 93.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -60.3 | -176.1 | -171 | 68 | 0 | 0 | 0 | 111.7 | P26 Y29 H108 G112 L113 F114 L184 | P26-L110 HydrophobicContact CB-CD1 4.02Å; P26-L110 HydrophobicContact CG-CD1 4.13Å; Y29-L110 HydrophobicContact CD1-CD2 4.42Å; Y29-L110 HydrophobicContact CD1-CG 4.31Å; Y29-L110 HydrophobicContact CD2-CD2 3.79Å; Y29-L110 HydrophobicContact CD2-CG 4.41Å; Y29-L110 HydrophobicContact CE2-CD2 4.46Å; Y29-L110 HydrophobicContact CG-CD2 3.78Å; Y29-L110 HydrophobicContact CG-CG 4.15Å; H108-L110 PolarHBondContact ND1-N 3.26Å; H108-L110 PolarHBondContact O-N 3.08Å; L110-G112 VanDerWaalsContact C-N 3.29Å; L110-G112 PolarHBondContact O-N 2.79Å; L110-L113 PolarHBondContact O-N 3.31Å; L110-F114 HydrophobicContact CD1-CD2 4.11Å; L110-F114 HydrophobicContact CD1-CE2 3.69Å; L110-F114 HydrophobicContact CG-CD2 4.23Å; L110-F114 HydrophobicContact CG-CE2 4.23Å; L110-F114 VanDerWaalsContact O-CD2 3.31Å; L110-F114 WeakPolarHBondContact O-CD2 3.26Å; L110-F114 PolarHBondContact O-N 3Å; L110-F114 VanDerWaalsContact O-N 3.14Å; L110-L184 HydrophobicContact CD1-CD1 3.74Å |
| 111 | R | 94.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.9 | -40.7 | 178.9 | -62.8 | -171.1 | -81.5 | -105.8 | 3.1 | 113.4 | L19 R20 T21 S22 Y29 I71 V106 H108 L115 | L19-R111 WeakPolarHBondContact O-CD 3.46Å; R20-R111 PolarHBondContact O-NH1 3.17Å; T21-R111 PolarHBondContact O-NH1 2.86Å; S22-R111 PolarHBondContact OG-NH1 3.18Å; Y29-R111 HydrophobicContact CE2-CG 4.14Å; I71-R111 HydrophobicContact CD1-CB 4.08Å; V106-R111 HydrophobicContact CG1-CB 4.3Å; H108-R111 HydrophobicContact CB-CB 4.42Å; H108-R111 PolarHBondContact CD2-NH2 3.1Å; H108-R111 PolarHBondContact ND1-N 3.02Å; H108-R111 PolarHBondContact NE2-NH2 3.14Å; R111-L115 VanDerWaalsContact O-CB 3.29Å; R111-L115 WeakPolarHBondContact O-CB 3.49Å; R111-L115 PolarHBondContact O-N 3.29Å |
| 112 | G | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H108 L110 L115 R116 | H108-G112 WeakPolarHBondContact O-CA 3.28Å; H108-G112 PolarHBondContact O-N 3Å; L110-G112 VanDerWaalsContact C-N 3.29Å; L110-G112 PolarHBondContact O-N 2.79Å; G112-L115 PolarHBondContact O-N 3.04Å; G112-R116 WeakPolarHBondContact O-CB 3.32Å; G112-R116 VanDerWaalsContact O-CG 3.31Å; G112-R116 WeakPolarHBondContact O-CG 3.5Å; G112-R116 PolarHBondContact O-N 3.23Å |
| 113 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.5 | -77.7 | 171.5 | 0 | 0 | 0 | 111.6 | P109 L110 R116 N117 M158 L161 W162 M165 V188 | P109-L113 WeakPolarHBondContact O-CB 3.16Å; P109-L113 VanDerWaalsContact O-CG 3.26Å; P109-L113 WeakPolarHBondContact O-CG 3.17Å; P109-L113 PolarHBondContact O-N 3.28Å; L110-L113 PolarHBondContact O-N 3.31Å; L113-R116 PolarHBondContact O-N 2.91Å; L113-N117 VanDerWaalsContact O-CB 3.32Å; L113-N117 WeakPolarHBondContact O-CB 3.41Å; L113-N117 PolarHBondContact O-N 3.26Å; L113-M158 HydrophobicContact CD2-CB 3.86Å; L113-M158 HydrophobicContact CD2-CE 3.77Å; L113-M158 HydrophobicContact CD2-CG 4.12Å; L113-M158 WeakPolarHBondContact CD2-O 3.48Å; L113-L161 HydrophobicContact CD2-CB 4.13Å; L113-L161 HydrophobicContact CG-CB 4.03Å; L113-W162 HydrophobicContact CD1-CB 4.31Å; L113-W162 HydrophobicContact CD2-CB 4.42Å; L113-M165 HydrophobicContact CD1-SD 3.61Å; L113-V188 HydrophobicContact CD2-CG2 4.1Å |
| 114 | F | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 178.2 | -82.2 | -73.8 | 0 | 0 | 0 | 113.1 | Y29 Y30 Y33 L110 R116 N117 Y118 L184 L187 | Y29-F114 HydrophobicContact CD1-CD1 4.49Å; Y29-F114 AromaticContact CD1-CD2 3.32Å; Y29-F114 HydrophobicContact CD1-CD2 3.32Å; Y29-F114 AromaticContact CD1-CE2 3.49Å; Y29-F114 HydrophobicContact CD1-CE2 3.49Å; Y29-F114 VanDerWaalsContact CD1-CE2 3.49Å; Y29-F114 AromaticContact CD1-CG 3.89Å; Y29-F114 HydrophobicContact CD1-CG 3.89Å; Y29-F114 HydrophobicContact CD1-CZ 4.14Å; Y29-F114 HydrophobicContact CE1-CB 3.89Å; Y29-F114 HydrophobicContact CE1-CD1 4.49Å; Y29-F114 AromaticContact CE1-CD2 3.42Å; Y29-F114 HydrophobicContact CE1-CD2 3.42Å; Y29-F114 VanDerWaalsContact CE1-CD2 3.42Å; Y29-F114 HydrophobicContact CE1-CE2 4.09Å; Y29-F114 AromaticContact CE1-CG 3.67Å; Y29-F114 HydrophobicContact CE1-CG 3.67Å; Y29-F114 HydrophobicContact CG-CD2 4.46Å; Y29-F114 HydrophobicContact CG-CE2 4.4Å; Y30-F114 AromaticContact CD2-CE1 3.54Å; Y30-F114 HydrophobicContact CD2-CE1 3.54Å; Y30-F114 AromaticContact CD2-CZ 3.85Å; Y30-F114 HydrophobicContact CD2-CZ 3.85Å; Y30-F114 HydrophobicContact CE2-CE1 4.42Å; Y30-F114 HydrophobicContact CG-CE1 4.24Å; Y30-F114 HydrophobicContact CG-CZ 4.3Å; Y33-F114 AromaticContact CD1-CD1 3.58Å; Y33-F114 HydrophobicContact CD1-CD1 3.58Å; Y33-F114 AromaticContact CD1-CE1 3.74Å; Y33-F114 HydrophobicContact CD1-CE1 3.74Å; Y33-F114 HydrophobicContact CD2-CB 3.95Å; Y33-F114 AromaticContact CD2-CD1 3.59Å; Y33-F114 HydrophobicContact CD2-CD1 3.59Å; Y33-F114 HydrophobicContact CD2-CE1 4.48Å; Y33-F114 HydrophobicContact CD2-CG 4.15Å; Y33-F114 HydrophobicContact CE1-CD1 4.02Å; Y33-F114 HydrophobicContact CE1-CE1 4.37Å; Y33-F114 HydrophobicContact CE2-CB 4.22Å; Y33-F114 HydrophobicContact CE2-CD1 4Å; Y33-F114 AromaticContact CG-CD1 3.34Å; Y33-F114 HydrophobicContact CG-CD1 3.34Å; Y33-F114 AromaticContact CG-CE1 3.81Å; Y33-F114 HydrophobicContact CG-CE1 3.81Å; Y33-F114 HydrophobicContact CG-CG 4.21Å; L110-F114 HydrophobicContact CD1-CD2 4.11Å; L110-F114 HydrophobicContact CD1-CE2 3.69Å; L110-F114 HydrophobicContact CG-CD2 4.23Å; L110-F114 HydrophobicContact CG-CE2 4.23Å; L110-F114 VanDerWaalsContact O-CD2 3.31Å; L110-F114 WeakPolarHBondContact O-CD2 3.26Å; L110-F114 PolarHBondContact O-N 3Å; L110-F114 VanDerWaalsContact O-N 3.14Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 3.49Å; F114-N117 PolarHBondContact O-N 3.04Å; F114-Y118 WeakPolarHBondContact O-CB 3.47Å; F114-Y118 PolarHBondContact O-N 2.73Å; F114-L184 HydrophobicContact CE2-CD2 4Å; F114-L184 HydrophobicContact CZ-CD2 3.9Å; F114-L187 HydrophobicContact CD1-CD2 3.85Å; F114-L187 HydrophobicContact CE1-CD2 3.81Å; F114-L187 HydrophobicContact CG-CD2 4.35Å; F114-L187 HydrophobicContact CZ-CD2 4.24Å |
| 115 | L | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 175.5 | 175 | 68.1 | 0 | 0 | 0 | 111.7 | L74 Y75 I78 V106 R111 G112 Y118 L119 | L74-L115 HydrophobicContact CB-CD1 3.96Å; L74-L115 HydrophobicContact CB-CD2 3.93Å; L74-L115 HydrophobicContact CD1-CD2 3.6Å; L74-L115 HydrophobicContact CG-CD2 4.43Å; Y75-L115 HydrophobicContact CD1-CD1 4.42Å; Y75-L115 HydrophobicContact CD2-CD1 3.57Å; Y75-L115 HydrophobicContact CE1-CD1 4.39Å; Y75-L115 HydrophobicContact CE2-CB 4.1Å; Y75-L115 HydrophobicContact CE2-CD1 3.52Å; Y75-L115 HydrophobicContact CE2-CG 4.39Å; Y75-L115 HydrophobicContact CG-CD1 4.04Å; Y75-L115 WeakPolarHBondContact OH-CA 3.23Å; Y75-L115 PolarHBondContact OH-N 3.4Å; I78-L115 HydrophobicContact CD1-CD1 3.57Å; I78-L115 HydrophobicContact CD1-CG 4.31Å; V106-L115 HydrophobicContact CB-CD2 4.2Å; V106-L115 HydrophobicContact CG2-CD2 3.84Å; R111-L115 VanDerWaalsContact O-CB 3.29Å; R111-L115 WeakPolarHBondContact O-CB 3.49Å; R111-L115 PolarHBondContact O-N 3.29Å; G112-L115 PolarHBondContact O-N 3.04Å; L115-Y118 WeakPolarHBondContact O-CB 3.28Å; L115-Y118 PolarHBondContact O-N 3.34Å; L115-L119 PolarHBondContact O-N 2.79Å |
| 116 | R | 96.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.8 | -30.9 | 177.9 | -74.5 | -176 | 174.2 | -75.8 | -2.1 | 113 | C103 G112 L113 F114 L120 N154 E157 M158 | C103-R116 HydrophobicContact CB-CG 4.48Å; G112-R116 WeakPolarHBondContact O-CB 3.32Å; G112-R116 VanDerWaalsContact O-CG 3.31Å; G112-R116 WeakPolarHBondContact O-CG 3.5Å; G112-R116 PolarHBondContact O-N 3.23Å; L113-R116 PolarHBondContact O-N 2.91Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 3.49Å; R116-L120 PolarHBondContact O-N 2.91Å; R116-L120 VanDerWaalsContact O-N 3.1Å; R116-N154 WeakPolarHBondContact CB-OD1 3.49Å; R116-N154 WeakPolarHBondContact CD-OD1 3.45Å; R116-N154 WeakPolarHBondContact CG-OD1 3.47Å; R116-N154 PolarHBondContact NH1-OD1 2.88Å; R116-N154 PolarHBondContact O-ND2 3.24Å; R116-E157 VanDerWaalsContact CZ-CB 3.45Å; R116-M158 HydrophobicContact CB-CE 4.43Å; R116-M158 HydrophobicContact CB-CG 3.62Å; R116-M158 HydrophobicContact CB-SD 3.65Å; R116-M158 HydrophobicContact CG-CG 4.26Å |
| 117 | N | 95.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 171.3 | -171.5 | -96.8 | 0 | 0 | 0 | 110.9 | Y33 L113 F114 L119 L120 Q121 M158 L187 | Y33-N117 PolarHBondContact OH-OD1 3.07Å; L113-N117 VanDerWaalsContact O-CB 3.32Å; L113-N117 WeakPolarHBondContact O-CB 3.41Å; L113-N117 PolarHBondContact O-N 3.26Å; F114-N117 PolarHBondContact O-N 3.04Å; N117-L119 VanDerWaalsContact C-N 3.35Å; N117-L119 PolarHBondContact O-N 3.38Å; N117-L120 PolarHBondContact O-N 2.84Å; N117-L120 VanDerWaalsContact O-N 3.15Å; N117-Q121 WeakPolarHBondContact O-CG 3.33Å; N117-Q121 PolarHBondContact O-N 3Å; N117-M158 HydrophobicContact CB-CE 4.28Å; N117-L187 HydrophobicContact CB-CD2 3.76Å |
| 118 | Y | 95.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 172.8 | -175.6 | -105.8 | 0 | 0 | 0 | 111.8 | Y33 S37 L40 Y75 I78 T79 F114 L115 L120 Q121 C122 | Y33-Y118 HydrophobicContact CE2-CD2 4.43Å; Y33-Y118 WeakPolarHBondContact OH-CA 3.47Å; Y33-Y118 PolarHBondContact OH-N 2.87Å; S37-Y118 WeakPolarHBondContact OG-CE2 3.46Å; L40-Y118 WeakPolarHBondContact CB-OH 3.49Å; L40-Y118 HydrophobicContact CD1-CE1 4.26Å; L40-Y118 HydrophobicContact CD1-CE2 4.21Å; L40-Y118 WeakPolarHBondContact CD1-OH 3.5Å; Y75-Y118 AromaticContact CD1-CD1 3.48Å; Y75-Y118 HydrophobicContact CD1-CD1 3.48Å; Y75-Y118 VanDerWaalsContact CD1-CD1 3.48Å; Y75-Y118 HydrophobicContact CD1-CD2 4.32Å; Y75-Y118 AromaticContact CD1-CE1 3.71Å; Y75-Y118 HydrophobicContact CD1-CE1 3.71Å; Y75-Y118 AromaticContact CD1-CG 3.82Å; Y75-Y118 HydrophobicContact CD1-CG 3.82Å; Y75-Y118 AromaticContact CE1-CD1 3.72Å; Y75-Y118 HydrophobicContact CE1-CD1 3.72Å; Y75-Y118 HydrophobicContact CE1-CD2 4.09Å; Y75-Y118 HydrophobicContact CE1-CE1 4.35Å; Y75-Y118 AromaticContact CE1-CG 3.58Å; Y75-Y118 HydrophobicContact CE1-CG 3.58Å; Y75-Y118 HydrophobicContact CG-CD1 4.47Å; I78-Y118 HydrophobicContact CB-CD1 4.29Å; I78-Y118 HydrophobicContact CB-CE1 4.12Å; I78-Y118 HydrophobicContact CD1-CD1 4.14Å; I78-Y118 HydrophobicContact CG2-CD1 3.87Å; I78-Y118 HydrophobicContact CG2-CE1 3.76Å; T79-Y118 PolarHBondContact OG1-OH 2.63Å; F114-Y118 WeakPolarHBondContact O-CB 3.47Å; F114-Y118 PolarHBondContact O-N 2.73Å; L115-Y118 WeakPolarHBondContact O-CB 3.28Å; L115-Y118 PolarHBondContact O-N 3.34Å; Y118-L120 VanDerWaalsContact C-N 3.3Å; Y118-L120 PolarHBondContact O-N 3.15Å; Y118-Q121 PolarHBondContact O-N 3.47Å; Y118-C122 VanDerWaalsContact CE1-SG 3.56Å; Y118-C122 PolarHBondContact O-N 3.35Å; Y118-C122 PolarHBondContact O-SG 2.92Å; Y118-C122 VanDerWaalsContact O-SG 3.36Å |
| 119 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -51.2 | -51.3 | 173.1 | 174.9 | 64.8 | 0 | 0 | 0 | 110.9 | I78 L99 V100 L115 N117 Q121 C122 T123 F150 | I78-L119 HydrophobicContact CD1-CB 3.94Å; I78-L119 HydrophobicContact CD1-CD1 4.27Å; I78-L119 HydrophobicContact CG1-CD1 4.02Å; I78-L119 HydrophobicContact CG2-CD1 4.16Å; L99-L119 HydrophobicContact CB-CD1 4.06Å; L99-L119 HydrophobicContact CD1-CD1 4.27Å; V100-L119 HydrophobicContact CB-CD2 4.35Å; L115-L119 PolarHBondContact O-N 2.79Å; N117-L119 VanDerWaalsContact C-N 3.35Å; N117-L119 PolarHBondContact O-N 3.38Å; L119-Q121 VanDerWaalsContact C-N 3.35Å; L119-Q121 PolarHBondContact O-N 3.33Å; L119-C122 PolarHBondContact O-N 3.3Å; L119-T123 HydrophobicContact CD1-CG2 3.88Å; L119-T123 WeakPolarHBondContact O-CB 3.15Å; L119-T123 WeakPolarHBondContact O-CG2 3.29Å; L119-T123 PolarHBondContact O-N 3.38Å; L119-T123 PolarHBondContact O-OG1 3.08Å; L119-F150 HydrophobicContact CD1-CZ 4.07Å; L119-F150 HydrophobicContact CD2-CE2 4.29Å; L119-F150 HydrophobicContact CD2-CZ 3.85Å; L119-F150 HydrophobicContact CG-CZ 3.87Å |
| 120 | L | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.5 | -36.5 | -178.3 | -168.7 | 73.3 | 0 | 0 | 0 | 113 | R116 N117 Y118 T123 R124 V151 T190 N191 R194 | R116-L120 PolarHBondContact O-N 2.91Å; R116-L120 VanDerWaalsContact O-N 3.1Å; N117-L120 PolarHBondContact O-N 2.84Å; N117-L120 VanDerWaalsContact O-N 3.15Å; Y118-L120 VanDerWaalsContact C-N 3.3Å; Y118-L120 PolarHBondContact O-N 3.15Å; L120-T123 PolarHBondContact O-OG1 3.45Å; L120-R124 PolarHBondContact O-N 3.44Å; L120-V151 HydrophobicContact CD1-CG1 4.25Å; L120-V151 HydrophobicContact CD1-CG2 4.25Å; L120-T190 HydrophobicContact CD2-CG2 3.85Å; L120-N191 HydrophobicContact CD2-CB 4.31Å; L120-R194 HydrophobicContact CD1-CB 4.14Å; L120-R194 HydrophobicContact CD1-CG 4.05Å; L120-R194 HydrophobicContact CD2-CB 4.38Å; L120-R194 HydrophobicContact CG-CB 4.46Å |
| 121 | Q | 93.1 | Very high | 90.5 | Very high | 88 Ų | 88 | 29.6 Ų | 29.6 | 41% | 0.411 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.6 | -46.4 | 176.4 | -67.3 | -62.7 | -13.5 | 0 | 0 | 111.3 | N117 Y118 L119 T123 R124 | N117-Q121 WeakPolarHBondContact O-CG 3.33Å; N117-Q121 PolarHBondContact O-N 3Å; Y118-Q121 PolarHBondContact O-N 3.47Å; L119-Q121 VanDerWaalsContact C-N 3.35Å; L119-Q121 PolarHBondContact O-N 3.33Å; Q121-T123 VanDerWaalsContact C-N 3.32Å; Q121-T123 PolarHBondContact O-N 2.91Å; Q121-R124 VanDerWaalsContact O-CB 3.25Å; Q121-R124 WeakPolarHBondContact O-CB 3.5Å; Q121-R124 PolarHBondContact O-N 3.44Å |
| 122 | C | 93.1 | Very high | 89.3 | Confident | 14 Ų | 14 | 31 Ų | 31 | 10% | 0.095 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | 178.4 | -65.9 | 0 | 0 | 0 | 0 | 112 | I78 V82 Y118 L119 R124 | I78-C122 HydrophobicContact CG2-CB 3.92Å; V82-C122 HydrophobicContact CG2-CB 3.63Å; Y118-C122 VanDerWaalsContact CE1-SG 3.56Å; Y118-C122 PolarHBondContact O-N 3.35Å; Y118-C122 PolarHBondContact O-SG 2.92Å; Y118-C122 VanDerWaalsContact O-SG 3.36Å; L119-C122 PolarHBondContact O-N 3.3Å; C122-R124 VanDerWaalsContact C-N 3.27Å; C122-R124 PolarHBondContact O-N 3.28Å |
| 123 | T | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.2 | 179.4 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | V82 L96 L119 L120 Q121 N125 I126 L127 F150 | V82-T123 HydrophobicContact CG2-CG2 4.43Å; L96-T123 HydrophobicContact CD2-CG2 3.72Å; L119-T123 HydrophobicContact CD1-CG2 3.88Å; L119-T123 WeakPolarHBondContact O-CB 3.15Å; L119-T123 WeakPolarHBondContact O-CG2 3.29Å; L119-T123 PolarHBondContact O-N 3.38Å; L119-T123 PolarHBondContact O-OG1 3.08Å; L120-T123 PolarHBondContact O-OG1 3.45Å; Q121-T123 VanDerWaalsContact C-N 3.32Å; Q121-T123 PolarHBondContact O-N 2.91Å; T123-N125 PolarHBondContact O-N 2.83Å; T123-I126 HydrophobicContact CG2-CD1 4.11Å; T123-I126 HydrophobicContact CG2-CG1 4.47Å; T123-I126 VanDerWaalsContact O-CG1 3.23Å; T123-I126 WeakPolarHBondContact O-CG1 3.24Å; T123-I126 PolarHBondContact O-N 3.2Å; T123-I126 VanDerWaalsContact O-N 3.08Å; T123-L127 WeakPolarHBondContact O-CG 3.42Å; T123-L127 PolarHBondContact O-N 3.13Å; T123-F150 HydrophobicContact CG2-CE1 4.47Å; T123-F150 HydrophobicContact CG2-CZ 4Å |
| 124 | R | 89.6 | Confident | 85.5 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -46.6 | -57.3 | -173.6 | -174.1 | -177.5 | 175.7 | 179 | -3.7 | 112.6 | L120 Q121 C122 I126 R194 | L120-R124 PolarHBondContact O-N 3.44Å; Q121-R124 VanDerWaalsContact O-CB 3.25Å; Q121-R124 WeakPolarHBondContact O-CB 3.5Å; Q121-R124 PolarHBondContact O-N 3.44Å; C122-R124 VanDerWaalsContact C-N 3.27Å; C122-R124 PolarHBondContact O-N 3.28Å; R124-I126 VanDerWaalsContact C-N 3.32Å; R124-I126 PolarHBondContact O-N 3.47Å; R124-R194 PolarHBondContact O-NE 2.85Å; R124-R194 PolarHBondContact O-NH2 3.5Å |
| 125 | N | 87.3 | Confident | 83 | Confident | 129 Ų | 129 | 53.5 Ų | 53.5 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -90.5 | 10.6 | -172.3 | -56.9 | -23.4 | 0 | 0 | 0 | 114.2 | T123 | T123-N125 PolarHBondContact O-N 2.83Š|
| 126 | I | 88.4 | Confident | 80.8 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -125.8 | 1.8 | -174.2 | 60.9 | 155.2 | 0 | 0 | 0 | 113.6 | V82 V85 R86 L96 T123 R124 | V82-I126 HydrophobicContact CB-CD1 4.11Å; V82-I126 HydrophobicContact CG1-CD1 3.83Å; V82-I126 HydrophobicContact CG1-CG1 4.48Å; V82-I126 HydrophobicContact CG1-CG2 4.42Å; V82-I126 HydrophobicContact CG2-CD1 3.92Å; V85-I126 HydrophobicContact CB-CD1 3.85Å; V85-I126 HydrophobicContact CG1-CB 3.97Å; V85-I126 HydrophobicContact CG1-CD1 3.79Å; V85-I126 HydrophobicContact CG1-CG1 4.42Å; V85-I126 HydrophobicContact CG2-CD1 4.14Å; R86-I126 HydrophobicContact CG-CG2 3.84Å; L96-I126 HydrophobicContact CD2-CD1 4.25Å; T123-I126 HydrophobicContact CG2-CD1 4.11Å; T123-I126 HydrophobicContact CG2-CG1 4.47Å; T123-I126 VanDerWaalsContact O-CG1 3.23Å; T123-I126 WeakPolarHBondContact O-CG1 3.24Å; T123-I126 PolarHBondContact O-N 3.2Å; T123-I126 VanDerWaalsContact O-N 3.08Å; R124-I126 VanDerWaalsContact C-N 3.32Å; R124-I126 PolarHBondContact O-N 3.47Å |
| 127 | L | 89.4 | Confident | 78.3 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -68.7 | 131.2 | 173.5 | -71.7 | 176.9 | 0 | 0 | 0 | 109.5 | L96 T123 D129 F150 V151 R194 | L96-L127 HydrophobicContact CD1-CD2 4.31Å; L96-L127 HydrophobicContact CD2-CD2 4.47Å; T123-L127 WeakPolarHBondContact O-CG 3.42Å; T123-L127 PolarHBondContact O-N 3.13Å; L127-D129 PolarHBondContact O-N 3.35Å; L127-F150 HydrophobicContact CD2-CD1 3.73Å; L127-F150 HydrophobicContact CD2-CE1 4.01Å; L127-F150 HydrophobicContact CD2-CG 4.39Å; L127-V151 HydrophobicContact CD1-CG2 3.83Å; L127-R194 HydrophobicContact CD1-CG 4.01Å |
| 128 | P | 87.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | trans | -49.8 | 132.5 | 171.2 | -19.8 | 20.3 | 0 | 0 | 0 | 113.4 | R92 L96 D143 S147 | R92-P128 HydrophobicContact CG-CG 4.5Å; L96-P128 HydrophobicContact CD1-CG 4.43Å; P128-D143 WeakPolarHBondContact CB-O 3.25Å; P128-S147 WeakPolarHBondContact CD-OG 3.31Å; P128-S147 VanDerWaalsContact N-OG 3.09Å; P128-S147 WeakPolarHBondContact O-CB 3.28Å; P128-S147 PolarHBondContact O-OG 2.93Å | ||
| 129 | D | 85.7 | Confident | 74.7 | Confident | 33 Ų | 33 | 75.2 Ų | 75.2 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | trans | -145.1 | 158.1 | 175.8 | -151.5 | -16.7 | 0 | 0 | 0 | 111.2 | L127 G131 E132 L198 E199 G200 | L127-D129 PolarHBondContact O-N 3.35Å; D129-G131 PolarHBondContact O-N 3.4Å; D129-G131 VanDerWaalsContact O-N 3.13Å; D129-E132 PolarHBondContact O-N 3.15Å; D129-L198 WeakPolarHBondContact OD2-CA 3.19Å; D129-E199 PolarHBondContact OD2-N 2.83Å; D129-G200 WeakPolarHBondContact OD1-CA 3.28Å; D129-G200 PolarHBondContact OD1-N 3.24Å | ||
| 130 | D | 73.4 | Confident | 73.3 | Confident | 103 Ų | 103 | 79.2 Ų | 79.2 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -6.5 | -173 | -71.5 | -24.5 | 0 | 0 | 0 | 113 | G200 K205 | D130-G200 WeakPolarHBondContact OD2-CA 3.19Å; D130-K205 IonicContact OD2-NZ 3.91Å; D130-K205 PolarHBondContact OD2-NZ 2.87Å |
| 131 | G | 64.9 | Low | 72.6 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 58% | 0.577 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | D129 Q133 | D129-G131 PolarHBondContact O-N 3.4Å; D129-G131 VanDerWaalsContact O-N 3.13Å; G131-Q133 PolarHBondContact O-N 3.48Å |
| 132 | E | 68.5 | Low | 71.9 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | trans | -73.6 | 120.5 | -178.1 | -68 | -179.4 | 144 | 0 | 0 | 111.8 | R92 D129 V134 M140 | R92-E132 IonicContact CZ-OE2 3.01Å; R92-E132 VanDerWaalsContact NH1-CD 3.25Å; R92-E132 IonicContact NH1-OE1 3.89Å; R92-E132 PolarHBondContact NH1-OE1 3.4Å; R92-E132 IonicContact NH1-OE2 3.79Å; R92-E132 PolarHBondContact NH1-OE2 3.2Å; R92-E132 IonicContact NH2-OE2 3.84Å; R92-E132 PolarHBondContact NH2-OE2 3.06Å; R92-E132 VanDerWaalsContact NH2-OE2 3.13Å; D129-E132 PolarHBondContact O-N 3.15Å; E132-V134 PolarHBondContact O-N 3.33Å; E132-M140 WeakPolarHBondContact OE2-CE 3.44Å | ||
| 133 | Q | 56.8 | Low | 71.6 | Confident | 168 Ų | 168 | 80.7 Ų | 80.7 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | trans | -73.3 | 123.3 | 173 | -68 | -173.3 | 3.2 | 0 | 0 | 110 | G131 E135 | G131-Q133 PolarHBondContact O-N 3.48Å; Q133-E135 VanDerWaalsContact C-N 3.3Å; Q133-E135 PolarHBondContact O-N 3.35Å | ||
| 134 | V | 54.4 | Low | 71.4 | Confident | 121 Ų | 121 | 80.9 Ų | 80.9 | 73% | 0.733 | 45% | 0.446 | S | S | * | . | trans | -73.2 | 81.7 | 176 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | E132 G136 | E132-V134 PolarHBondContact O-N 3.33Å; V134-G136 PolarHBondContact O-N 3.24Å | ||
| 135 | E | 43.1 | Very low | 71.4 | Confident | 184 Ų | 184 | 78.2 Ų | 78.2 | 86% | 0.86 | 44% | 0.441 | S | S | * | . | trans | -86.1 | 81.5 | 168.1 | -75.2 | -162.4 | 158.9 | 0 | 0 | 110.2 | Q133 | Q133-E135 VanDerWaalsContact C-N 3.3Å; Q133-E135 PolarHBondContact O-N 3.35Å | ||
| 136 | G | 49.5 | Very low | 71.6 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 55% | 0.546 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 145.2 | 165.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.3 | V134 E138 | V134-G136 PolarHBondContact O-N 3.24Å; G136-E138 PolarHBondContact O-N 3.35Å |
| 137 | S | 44.2 | Very low | 71.8 | Confident | 128 Ų | 128 | 73.3 Ų | 73.3 | 90% | 0.895 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82.9 | 9.9 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 114 | ||
| 138 | E | 55 | Low | 72 | Confident | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -95.9 | 123.5 | -179.7 | -66.3 | -171.6 | 173.4 | 0 | 0 | 109.9 | G136 M140 | G136-E138 PolarHBondContact O-N 3.35Å; E138-M140 PolarHBondContact O-N 2.93Å; E138-M140 VanDerWaalsContact O-N 3.1Å |
| 139 | E | 60.7 | Low | 72.3 | Confident | 170 Ų | 170 | 77.4 Ų | 77.4 | 79% | 0.794 | 44% | 0.436 | S | S | * | . | trans | -64.8 | 108.1 | 179 | -67.5 | 179.2 | 172.6 | 0 | 0 | 110.3 | T141 | E139-T141 PolarHBondContact O-N 3.1Š| ||
| 140 | M | 68 | Low | 72.7 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | trans | -69.3 | 126.6 | 169.2 | -109.3 | 165.1 | 110 | 0 | 0 | 109.7 | P89 E132 E138 | P89-M140 HydrophobicContact CB-CG 3.5Å; E132-M140 WeakPolarHBondContact OE2-CE 3.44Å; E138-M140 PolarHBondContact O-N 2.93Å; E138-M140 VanDerWaalsContact O-N 3.1Å | ||
| 141 | T | 78.6 | Confident | 73.8 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 27% | 0.27 | 40% | 0.404 | S | S | . | . | trans | -97 | 138.5 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | P89 Q90 R92 E139 | P89-T141 PolarHBondContact O-N 3.4Å; P89-T141 PolarHBondContact O-OG1 3.37Å; Q90-T141 WeakPolarHBondContact O-CG2 3.34Å; Q90-T141 PolarHBondContact O-OG1 3.19Å; R92-T141 PolarHBondContact N-OG1 2.78Å; R92-T141 PolarHBondContact NE-O 3.25Å; E139-T141 PolarHBondContact O-N 3.1Å | ||
| 142 | G | 78.7 | Confident | 75.2 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | trans | 103.6 | 137.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R92 D146 | R92-G142 PolarHBondContact NH2-O 3.45Å; R92-G142 VanDerWaalsContact NH2-O 3.14Å; G142-D146 VanDerWaalsContact CA-OD2 3.22Å; G142-D146 WeakPolarHBondContact CA-OD2 3.22Å | ||
| 143 | D | 86.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | trans | -111.5 | 176.7 | 178.1 | 71.6 | -0.7 | 0 | 0 | 0 | 111.6 | P128 N145 D146 S147 | P128-D143 WeakPolarHBondContact CB-O 3.25Å; D143-N145 PolarHBondContact O-N 3.18Å; D143-N145 WeakPolarHBondContact OD1-CA 3.41Å; D143-N145 VanDerWaalsContact OD1-CB 3.3Å; D143-N145 WeakPolarHBondContact OD1-CB 3.42Å; D143-N145 PolarHBondContact OD1-N 2.86Å; D143-N145 PolarHBondContact OD2-ND2 3.1Å; D143-D146 PolarHBondContact N-OD2 3.41Å; D143-D146 VanDerWaalsContact N-OD2 3.17Å; D143-D146 WeakPolarHBondContact O-CB 3.41Å; D143-D146 PolarHBondContact O-N 3.39Å; D143-D146 VanDerWaalsContact O-N 3.08Å; D143-D146 PolarHBondContact OD1-N 3.4Å; D143-S147 PolarHBondContact O-N 3.41Å | ||
| 144 | I | 88.9 | Confident | 78.3 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.4 | -29.3 | 174.1 | -175.4 | 57.8 | 0 | 0 | 0 | 113.9 | S147 I148 L198 V201 | I144-S147 WeakPolarHBondContact O-CB 3.24Å; I144-S147 PolarHBondContact O-N 3.41Å; I144-I148 HydrophobicContact CG1-CD1 4.16Å; I144-I148 VanDerWaalsContact O-CG1 3.32Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 3.16Å; I144-L198 HydrophobicContact CD1-CB 4.03Å; I144-L198 HydrophobicContact CD1-CD1 4.01Å; I144-L198 HydrophobicContact CD1-CD2 4.31Å; I144-L198 HydrophobicContact CD1-CG 4.34Å; I144-V201 HydrophobicContact CD1-CG2 4.48Å |
| 145 | N | 90.1 | Very high | 80.3 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 177.6 | -57.2 | -55.7 | 0 | 0 | 0 | 110.5 | D143 S147 I148 D149 | D143-N145 PolarHBondContact O-N 3.18Å; D143-N145 WeakPolarHBondContact OD1-CA 3.41Å; D143-N145 VanDerWaalsContact OD1-CB 3.3Å; D143-N145 WeakPolarHBondContact OD1-CB 3.42Å; D143-N145 PolarHBondContact OD1-N 2.86Å; D143-N145 PolarHBondContact OD2-ND2 3.1Å; N145-S147 VanDerWaalsContact C-N 3.27Å; N145-S147 PolarHBondContact O-N 3.42Å; N145-I148 PolarHBondContact O-N 2.8Å; N145-D149 WeakPolarHBondContact O-CB 3.43Å; N145-D149 PolarHBondContact O-N 3.17Å |
| 146 | D | 91 | Very high | 82.8 | Confident | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 173.4 | -66.2 | -51.6 | 0 | 0 | 0 | 111.6 | K93 G142 D143 F150 | K93-D146 WeakPolarHBondContact CD-OD2 3.43Å; K93-D146 WeakPolarHBondContact CE-OD1 3.38Å; K93-D146 WeakPolarHBondContact CE-OD2 3.5Å; K93-D146 IonicContact NZ-OD1 3.13Å; K93-D146 PolarHBondContact NZ-OD1 2.91Å; K93-D146 IonicContact NZ-OD2 3.39Å; K93-D146 PolarHBondContact NZ-OD2 3.36Å; G142-D146 VanDerWaalsContact CA-OD2 3.22Å; G142-D146 WeakPolarHBondContact CA-OD2 3.22Å; D143-D146 PolarHBondContact N-OD2 3.41Å; D143-D146 VanDerWaalsContact N-OD2 3.17Å; D143-D146 WeakPolarHBondContact O-CB 3.41Å; D143-D146 PolarHBondContact O-N 3.39Å; D143-D146 VanDerWaalsContact O-N 3.08Å; D143-D146 PolarHBondContact OD1-N 3.4Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 2.93Å |
| 147 | S | 92.6 | Very high | 85 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 173.2 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | P128 D143 I144 N145 F150 V151 | P128-S147 WeakPolarHBondContact CD-OG 3.31Å; P128-S147 VanDerWaalsContact N-OG 3.09Å; P128-S147 WeakPolarHBondContact O-CB 3.28Å; P128-S147 PolarHBondContact O-OG 2.93Å; D143-S147 PolarHBondContact O-N 3.41Å; I144-S147 WeakPolarHBondContact O-CB 3.24Å; I144-S147 PolarHBondContact O-N 3.41Å; N145-S147 VanDerWaalsContact C-N 3.27Å; N145-S147 PolarHBondContact O-N 3.42Å; S147-F150 PolarHBondContact O-N 3.23Å; S147-V151 WeakPolarHBondContact O-CG2 3.47Å; S147-V151 PolarHBondContact O-N 3.33Å |
| 148 | I | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -49.8 | 177.8 | -68.7 | 165.9 | 0 | 0 | 0 | 109.8 | I144 N145 F150 V151 L152 L198 V201 I209 V210 | I144-I148 HydrophobicContact CG1-CD1 4.16Å; I144-I148 VanDerWaalsContact O-CG1 3.32Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 3.16Å; N145-I148 PolarHBondContact O-N 2.8Å; I148-F150 VanDerWaalsContact C-N 3.34Å; I148-F150 PolarHBondContact O-N 3.25Å; I148-V151 PolarHBondContact O-N 3.33Å; I148-L152 HydrophobicContact CG2-CD1 3.59Å; I148-L152 HydrophobicContact CG2-CG 4.13Å; I148-L152 VanDerWaalsContact O-CB 3.31Å; I148-L152 WeakPolarHBondContact O-CB 3.37Å; I148-L152 VanDerWaalsContact O-CG 3.28Å; I148-L152 WeakPolarHBondContact O-CG 3.44Å; I148-L152 PolarHBondContact O-N 2.86Å; I148-L198 HydrophobicContact CG1-CD1 4.33Å; I148-V201 HydrophobicContact CD1-CG2 4.13Å; I148-V201 HydrophobicContact CG1-CG2 4.29Å; I148-I209 HydrophobicContact CG2-CG2 3.69Å; I148-V210 HydrophobicContact CD1-CG2 4.23Å; I148-V210 HydrophobicContact CG1-CG2 4.33Å; I148-V210 HydrophobicContact CG2-CG2 3.86Å |
| 149 | D | 93.6 | Very high | 89.4 | Confident | 93 Ų | 93 | 32.7 Ų | 32.7 | 50% | 0.497 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.7 | -75.9 | -12.9 | 0 | 0 | 0 | 111.8 | N145 L153 | N145-D149 WeakPolarHBondContact O-CB 3.43Å; N145-D149 PolarHBondContact O-N 3.17Å; D149-L153 WeakPolarHBondContact O-CB 3.22Å; D149-L153 PolarHBondContact O-N 2.95Å |
| 150 | F | 95 | Very high | 91 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 4% | 0.044 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 175.8 | 171.6 | -87.8 | 0 | 0 | 0 | 111.6 | L96 V100 L119 T123 L127 D146 S147 I148 L153 N154 | L96-F150 HydrophobicContact CB-CD2 4.08Å; L96-F150 HydrophobicContact CB-CE2 4.25Å; L96-F150 HydrophobicContact CD2-CE2 4.25Å; L96-F150 HydrophobicContact CD2-CZ 4.45Å; L96-F150 WeakPolarHBondContact O-CD2 3.37Å; L96-F150 WeakPolarHBondContact O-CE2 3.39Å; V100-F150 HydrophobicContact CB-CD2 3.81Å; V100-F150 HydrophobicContact CB-CE2 3.62Å; V100-F150 HydrophobicContact CB-CZ 4.49Å; V100-F150 HydrophobicContact CG1-CD2 3.77Å; V100-F150 HydrophobicContact CG1-CE2 4.06Å; V100-F150 HydrophobicContact CG2-CD2 4.44Å; V100-F150 HydrophobicContact CG2-CE2 4.37Å; L119-F150 HydrophobicContact CD1-CZ 4.07Å; L119-F150 HydrophobicContact CD2-CE2 4.29Å; L119-F150 HydrophobicContact CD2-CZ 3.85Å; L119-F150 HydrophobicContact CG-CZ 3.87Å; T123-F150 HydrophobicContact CG2-CE1 4.47Å; T123-F150 HydrophobicContact CG2-CZ 4Å; L127-F150 HydrophobicContact CD2-CD1 3.73Å; L127-F150 HydrophobicContact CD2-CE1 4.01Å; L127-F150 HydrophobicContact CD2-CG 4.39Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 2.93Å; S147-F150 PolarHBondContact O-N 3.23Å; I148-F150 VanDerWaalsContact C-N 3.34Å; I148-F150 PolarHBondContact O-N 3.25Å; F150-L153 PolarHBondContact O-N 2.66Å; F150-N154 WeakPolarHBondContact O-CB 3.25Å; F150-N154 PolarHBondContact O-N 3.16Å |
| 151 | V | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.7 | -38.5 | -177.5 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | L120 L127 S147 I148 N154 F155 N191 R194 L195 | L120-V151 HydrophobicContact CD1-CG1 4.25Å; L120-V151 HydrophobicContact CD1-CG2 4.25Å; L127-V151 HydrophobicContact CD1-CG2 3.83Å; S147-V151 WeakPolarHBondContact O-CG2 3.47Å; S147-V151 PolarHBondContact O-N 3.33Å; I148-V151 PolarHBondContact O-N 3.33Å; V151-N154 PolarHBondContact O-N 3.09Å; V151-F155 VanDerWaalsContact O-CB 3.28Å; V151-F155 WeakPolarHBondContact O-CB 3.45Å; V151-F155 PolarHBondContact O-N 2.98Å; V151-N191 HydrophobicContact CG1-CB 4.02Å; V151-N191 WeakPolarHBondContact CG1-O 3.46Å; V151-R194 HydrophobicContact CG2-CG 4.43Å; V151-L195 HydrophobicContact CB-CD2 3.9Å; V151-L195 HydrophobicContact CB-CG 4.16Å; V151-L195 HydrophobicContact CG1-CD1 4.1Å; V151-L195 HydrophobicContact CG1-CD2 4Å; V151-L195 HydrophobicContact CG1-CG 3.67Å |
| 152 | L | 95 | Very high | 93.1 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 175 | -74.2 | 177.7 | 0 | 0 | 0 | 111.9 | I148 N154 F155 A156 L195 I209 V214 | I148-L152 HydrophobicContact CG2-CD1 3.59Å; I148-L152 HydrophobicContact CG2-CG 4.13Å; I148-L152 VanDerWaalsContact O-CB 3.31Å; I148-L152 WeakPolarHBondContact O-CB 3.37Å; I148-L152 VanDerWaalsContact O-CG 3.28Å; I148-L152 WeakPolarHBondContact O-CG 3.44Å; I148-L152 PolarHBondContact O-N 2.86Å; L152-N154 VanDerWaalsContact C-N 3.34Å; L152-F155 WeakPolarHBondContact O-CB 3.45Å; L152-F155 PolarHBondContact O-N 2.85Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.37Å; L152-L195 HydrophobicContact CD2-CD1 3.91Å; L152-I209 HydrophobicContact CD1-CG2 4.28Å; L152-V214 HydrophobicContact CD2-CG2 3.77Å |
| 153 | L | 95.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 23.1 Ų | 23.1 | 23% | 0.225 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 174.5 | 176.9 | 60.5 | 0 | 0 | 0 | 111 | V100 R104 D149 F150 A156 E157 | V100-L153 HydrophobicContact CG1-CD2 3.83Å; V100-L153 HydrophobicContact CG2-CB 4.49Å; V100-L153 HydrophobicContact CG2-CD2 3.94Å; V100-L153 HydrophobicContact CG2-CG 4.05Å; R104-L153 VanDerWaalsContact NH2-CD1 3.33Å; D149-L153 WeakPolarHBondContact O-CB 3.22Å; D149-L153 PolarHBondContact O-N 2.95Å; F150-L153 PolarHBondContact O-N 2.66Å; L153-A156 PolarHBondContact O-N 3.23Å; L153-E157 HydrophobicContact CD1-CG 4.44Å; L153-E157 WeakPolarHBondContact O-CG 3.32Å; L153-E157 PolarHBondContact O-N 3.26Å; L153-E157 VanDerWaalsContact O-N 3.14Å |
| 154 | N | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 175.9 | -165.6 | 50.3 | 0 | 0 | 0 | 111.6 | V100 R116 F150 V151 L152 E157 M158 N191 | V100-N154 HydrophobicContact CG2-CB 4.31Å; R116-N154 WeakPolarHBondContact CB-OD1 3.49Å; R116-N154 WeakPolarHBondContact CD-OD1 3.45Å; R116-N154 WeakPolarHBondContact CG-OD1 3.47Å; R116-N154 PolarHBondContact NH1-OD1 2.88Å; R116-N154 PolarHBondContact O-ND2 3.24Å; F150-N154 WeakPolarHBondContact O-CB 3.25Å; F150-N154 PolarHBondContact O-N 3.16Å; V151-N154 PolarHBondContact O-N 3.09Å; L152-N154 VanDerWaalsContact C-N 3.34Å; N154-E157 PolarHBondContact O-N 3.16Å; N154-M158 WeakPolarHBondContact O-CB 3.38Å; N154-M158 VanDerWaalsContact O-CG 3.29Å; N154-M158 WeakPolarHBondContact O-CG 3.29Å; N154-M158 PolarHBondContact O-N 3.34Å; N154-N191 PolarHBondContact ND2-OD1 3.08Å |
| 155 | F | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 175.8 | 169.2 | -107.9 | 0 | 0 | 0 | 112 | V151 L152 E157 M158 N159 V188 N191 L192 V214 Q217 L230 | V151-F155 VanDerWaalsContact O-CB 3.28Å; V151-F155 WeakPolarHBondContact O-CB 3.45Å; V151-F155 PolarHBondContact O-N 2.98Å; L152-F155 WeakPolarHBondContact O-CB 3.45Å; L152-F155 PolarHBondContact O-N 2.85Å; F155-E157 VanDerWaalsContact C-N 3.33Å; F155-E157 PolarHBondContact O-N 3.2Å; F155-M158 PolarHBondContact O-N 3.43Å; F155-N159 WeakPolarHBondContact O-CB 3.39Å; F155-N159 PolarHBondContact O-N 3.44Å; F155-V188 HydrophobicContact CD2-CG1 3.96Å; F155-V188 HydrophobicContact CE2-CG1 3.83Å; F155-N191 HydrophobicContact CB-CB 3.95Å; F155-N191 HydrophobicContact CD2-CB 4.18Å; F155-L192 HydrophobicContact CD2-CD2 4.06Å; F155-L192 HydrophobicContact CD2-CG 4.46Å; F155-L192 HydrophobicContact CE2-CD1 4.44Å; F155-L192 HydrophobicContact CE2-CD2 3.92Å; F155-L192 HydrophobicContact CE2-CG 4.2Å; F155-L192 HydrophobicContact CG-CD2 4.45Å; F155-L192 HydrophobicContact CZ-CD2 4.21Å; F155-V214 HydrophobicContact CD1-CG2 4.43Å; F155-V214 HydrophobicContact CE1-CB 4.27Å; F155-V214 HydrophobicContact CE1-CG1 3.97Å; F155-V214 HydrophobicContact CE1-CG2 4.17Å; F155-V214 HydrophobicContact CZ-CG1 4Å; F155-Q217 HydrophobicContact CD1-CG 4.23Å; F155-Q217 HydrophobicContact CE1-CB 3.81Å; F155-Q217 HydrophobicContact CE1-CG 3.98Å; F155-L230 HydrophobicContact CE2-CD1 4.43Å; F155-L230 HydrophobicContact CE2-CD2 3.67Å; F155-L230 HydrophobicContact CZ-CD1 4.09Å; F155-L230 HydrophobicContact CZ-CD2 3.99Å |
| 156 | A | 95.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L152 L153 N159 K160 Q217 | L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.37Å; L153-A156 PolarHBondContact O-N 3.23Å; A156-N159 PolarHBondContact O-N 3.25Å; A156-K160 VanDerWaalsContact O-CG 3.27Å; A156-K160 WeakPolarHBondContact O-CG 3.19Å; A156-K160 PolarHBondContact O-N 3.24Å; A156-Q217 HydrophobicContact CB-CG 3.93Å |
| 157 | E | 94.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.1 | -39.3 | 177.8 | -69 | -59.5 | 126.4 | 0 | 0 | 112.7 | R116 L153 N154 F155 K160 L161 | R116-E157 VanDerWaalsContact CZ-CB 3.45Å; L153-E157 HydrophobicContact CD1-CG 4.44Å; L153-E157 WeakPolarHBondContact O-CG 3.32Å; L153-E157 PolarHBondContact O-N 3.26Å; L153-E157 VanDerWaalsContact O-N 3.14Å; N154-E157 PolarHBondContact O-N 3.16Å; F155-E157 VanDerWaalsContact C-N 3.33Å; F155-E157 PolarHBondContact O-N 3.2Å; E157-K160 PolarHBondContact O-N 3.14Å; E157-K160 IonicContact OE1-NZ 2.7Å; E157-K160 PolarHBondContact OE1-NZ 2.76Å; E157-L161 VanDerWaalsContact O-CG 3.29Å; E157-L161 WeakPolarHBondContact O-CG 3.44Å; E157-L161 PolarHBondContact O-N 3.39Å |
| 158 | M | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 174.2 | -73.6 | -171.5 | 72.9 | 0 | 0 | 111.7 | L113 R116 N117 N154 F155 L161 W162 L187 V188 N191 | L113-M158 HydrophobicContact CD2-CB 3.86Å; L113-M158 HydrophobicContact CD2-CE 3.77Å; L113-M158 HydrophobicContact CD2-CG 4.12Å; L113-M158 WeakPolarHBondContact CD2-O 3.48Å; R116-M158 HydrophobicContact CB-CE 4.43Å; R116-M158 HydrophobicContact CB-CG 3.62Å; R116-M158 HydrophobicContact CB-SD 3.65Å; R116-M158 HydrophobicContact CG-CG 4.26Å; N117-M158 HydrophobicContact CB-CE 4.28Å; N154-M158 WeakPolarHBondContact O-CB 3.38Å; N154-M158 VanDerWaalsContact O-CG 3.29Å; N154-M158 WeakPolarHBondContact O-CG 3.29Å; N154-M158 PolarHBondContact O-N 3.34Å; F155-M158 PolarHBondContact O-N 3.43Å; M158-L161 PolarHBondContact O-N 3.02Å; M158-W162 WeakPolarHBondContact O-CB 3.44Å; M158-W162 PolarHBondContact O-N 3.13Å; M158-L187 HydrophobicContact CE-CB 3.95Å; M158-L187 VanDerWaalsContact CE-O 3.25Å; M158-L187 WeakPolarHBondContact CE-O 3.32Å; M158-V188 HydrophobicContact CB-CG1 4.49Å; M158-V188 HydrophobicContact CB-CG2 4.36Å; M158-N191 PolarHBondContact SD-ND2 2.95Å |
| 159 | N | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 175 | -170 | 33.2 | 0 | 0 | 0 | 111.2 | F155 A156 L161 W162 V163 | F155-N159 WeakPolarHBondContact O-CB 3.39Å; F155-N159 PolarHBondContact O-N 3.44Å; A156-N159 PolarHBondContact O-N 3.25Å; N159-L161 PolarHBondContact O-N 3.48Å; N159-W162 PolarHBondContact O-N 3.17Å; N159-V163 WeakPolarHBondContact O-CG2 3.5Å; N159-V163 PolarHBondContact O-N 3Å |
| 160 | K | 94.9 | Very high | 93.2 | Very high | 96 Ų | 96 | 34.6 Ų | 34.6 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.5 | -71.9 | 171.5 | -164.4 | 169.5 | 0 | 112.4 | A156 E157 W162 R164 | A156-K160 VanDerWaalsContact O-CG 3.27Å; A156-K160 WeakPolarHBondContact O-CG 3.19Å; A156-K160 PolarHBondContact O-N 3.24Å; E157-K160 PolarHBondContact O-N 3.14Å; E157-K160 IonicContact OE1-NZ 2.7Å; E157-K160 PolarHBondContact OE1-NZ 2.76Å; K160-W162 VanDerWaalsContact C-N 3.34Å; K160-R164 VanDerWaalsContact O-CB 3.23Å; K160-R164 WeakPolarHBondContact O-CB 3.4Å; K160-R164 PolarHBondContact O-N 2.92Å |
| 161 | L | 95.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.9 | -72.1 | 170.2 | 0 | 0 | 0 | 111.2 | Q107 P109 L113 E157 M158 N159 R164 M165 | Q107-L161 WeakPolarHBondContact O-CD2 3.49Å; P109-L161 WeakPolarHBondContact CB-O 3.36Å; L113-L161 HydrophobicContact CD2-CB 4.13Å; L113-L161 HydrophobicContact CG-CB 4.03Å; E157-L161 VanDerWaalsContact O-CG 3.29Å; E157-L161 WeakPolarHBondContact O-CG 3.44Å; E157-L161 PolarHBondContact O-N 3.39Å; M158-L161 PolarHBondContact O-N 3.02Å; N159-L161 PolarHBondContact O-N 3.48Å; L161-R164 WeakPolarHBondContact O-CB 3.29Å; L161-R164 PolarHBondContact O-N 2.86Å; L161-M165 WeakPolarHBondContact O-CG 3.4Å; L161-M165 PolarHBondContact O-N 2.77Å |
| 162 | W | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 179.1 | -176.1 | 50.5 | 0 | 0 | 0 | 112.7 | L113 M158 N159 K160 R164 M165 R181 R185 V188 L225 A226 Y229 L230 | L113-W162 HydrophobicContact CD1-CB 4.31Å; L113-W162 HydrophobicContact CD2-CB 4.42Å; M158-W162 WeakPolarHBondContact O-CB 3.44Å; M158-W162 PolarHBondContact O-N 3.13Å; N159-W162 PolarHBondContact O-N 3.17Å; K160-W162 VanDerWaalsContact C-N 3.34Å; W162-R164 VanDerWaalsContact C-N 3.31Å; W162-R164 PolarHBondContact O-N 3.1Å; W162-M165 VanDerWaalsContact O-CB 3.24Å; W162-M165 WeakPolarHBondContact O-CB 3.3Å; W162-M165 PolarHBondContact O-N 3.13Å; W162-M165 VanDerWaalsContact O-N 3.17Å; W162-R181 PolarHBondContact NE1-O 3.47Å; W162-R181 PolarHBondContact O-NE 3.17Å; W162-R185 HydrophobicContact CH2-CB 3.95Å; W162-R185 HydrophobicContact CZ2-CB 3.57Å; W162-V188 HydrophobicContact CB-CG2 4Å; W162-V188 HydrophobicContact CD2-CG2 4.26Å; W162-V188 HydrophobicContact CE3-CG2 4.27Å; W162-V188 HydrophobicContact CG-CG2 4.16Å; W162-L225 HydrophobicContact CZ2-CD2 4.31Å; W162-L225 HydrophobicContact CZ2-CG 4.31Å; W162-A226 HydrophobicContact CE3-CB 3.74Å; W162-A226 VanDerWaalsContact CH2-CA 3.47Å; W162-A226 HydrophobicContact CH2-CB 3.97Å; W162-A226 HydrophobicContact CZ3-CB 3.32Å; W162-Y229 AromaticContact CH2-CD1 3.9Å; W162-Y229 HydrophobicContact CH2-CD1 3.9Å; W162-Y229 HydrophobicContact CH2-CG 4.34Å; W162-Y229 HydrophobicContact CZ3-CD1 4.19Å; W162-L230 HydrophobicContact CZ3-CG 4.46Å |
| 163 | V | 95 | Very high | 92.3 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | N159 M165 Q166 H167 C221 D223 A226 | N159-V163 WeakPolarHBondContact O-CG2 3.5Å; N159-V163 PolarHBondContact O-N 3Å; V163-M165 PolarHBondContact O-N 3.5Å; V163-Q166 WeakPolarHBondContact O-CB 3.19Å; V163-Q166 PolarHBondContact O-N 2.94Å; V163-H167 PolarHBondContact O-ND1 2.98Å; V163-H167 VanDerWaalsContact O-ND1 3.12Å; V163-C221 HydrophobicContact CG2-CB 4.17Å; V163-D223 HydrophobicContact CG1-CB 4.05Å; V163-D223 HydrophobicContact CG2-CB 3.92Å; V163-A226 HydrophobicContact CG2-CB 4.1Å |
| 164 | R | 93.9 | Very high | 92 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -28.9 | 173.5 | -168.1 | -179.7 | -61.1 | 150.6 | -0.6 | 112.1 | Q107 P109 K160 L161 W162 Q166 H167 Q168 | Q107-R164 PolarHBondContact O-NH1 2.98Å; Q107-R164 VanDerWaalsContact OE1-CZ 3.3Å; P109-R164 HydrophobicContact CG-CB 4.09Å; P109-R164 HydrophobicContact CG-CG 3.94Å; K160-R164 VanDerWaalsContact O-CB 3.23Å; K160-R164 WeakPolarHBondContact O-CB 3.4Å; K160-R164 PolarHBondContact O-N 2.92Å; L161-R164 WeakPolarHBondContact O-CB 3.29Å; L161-R164 PolarHBondContact O-N 2.86Å; W162-R164 VanDerWaalsContact C-N 3.31Å; W162-R164 PolarHBondContact O-N 3.1Å; R164-Q166 PolarHBondContact O-N 3.48Å; R164-H167 PolarHBondContact O-N 3.33Å; R164-H167 VanDerWaalsContact O-N 3.1Å; R164-Q168 PolarHBondContact O-N 3.13Å |
| 165 | M | 91.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -29.4 | 171.8 | -64.4 | -173.7 | 65.3 | 0 | 0 | 112.5 | P109 L113 L161 W162 V163 H167 Q168 R177 R181 L184 | P109-M165 HydrophobicContact CB-CB 4.39Å; P109-M165 HydrophobicContact CB-CG 3.31Å; P109-M165 HydrophobicContact CB-SD 4.4Å; P109-M165 HydrophobicContact CG-CG 4.3Å; L113-M165 HydrophobicContact CD1-SD 3.61Å; L161-M165 WeakPolarHBondContact O-CG 3.4Å; L161-M165 PolarHBondContact O-N 2.77Å; W162-M165 VanDerWaalsContact O-CB 3.24Å; W162-M165 WeakPolarHBondContact O-CB 3.3Å; W162-M165 PolarHBondContact O-N 3.13Å; W162-M165 VanDerWaalsContact O-N 3.17Å; V163-M165 PolarHBondContact O-N 3.5Å; M165-H167 PolarHBondContact O-N 2.85Å; M165-Q168 WeakPolarHBondContact O-CG 3.49Å; M165-Q168 PolarHBondContact O-N 3.48Å; M165-R177 VanDerWaalsContact O-CD 3.25Å; M165-R177 WeakPolarHBondContact O-CD 3.23Å; M165-R177 PolarHBondContact O-NE 3.33Å; M165-R181 HydrophobicContact CB-CG 3.83Å; M165-R181 HydrophobicContact CE-CG 4.48Å; M165-R181 HydrophobicContact SD-CG 4.45Å; M165-L184 HydrophobicContact CE-CD1 3.4Å; M165-L184 VanDerWaalsContact CE-CD1 3.4Å; M165-L184 HydrophobicContact SD-CD1 3.64Å |
| 166 | Q | 90.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 67.4 Ų | 67.4 | 7% | 0.065 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 178.1 | -169 | 60.1 | 11.6 | 0 | 0 | 112.3 | V163 R164 R177 E178 | V163-Q166 WeakPolarHBondContact O-CB 3.19Å; V163-Q166 PolarHBondContact O-N 2.94Å; R164-Q166 PolarHBondContact O-N 3.48Å; Q166-R177 PolarHBondContact O-NE 3.47Å; Q166-R177 PolarHBondContact O-NH2 3.35Å; Q166-E178 PolarHBondContact NE2-OE1 3.16Å |
| 167 | H | 89.3 | Confident | 91.2 | Very high | 144 Ų | 144 | 68 Ų | 68 | 67% | 0.667 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -100.7 | -2 | -171 | -55 | 92.9 | 0 | 0 | 0 | 113.4 | V163 R164 M165 | V163-H167 PolarHBondContact O-ND1 2.98Å; V163-H167 VanDerWaalsContact O-ND1 3.12Å; R164-H167 PolarHBondContact O-N 3.33Å; R164-H167 VanDerWaalsContact O-N 3.1Å; M165-H167 PolarHBondContact O-N 2.85Å |
| 168 | Q | 85.6 | Confident | 91.1 | Very high | 53 Ų | 53 | 70.2 Ų | 70.2 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -83.9 | 146.9 | 178.7 | 81.8 | -171 | -22 | 0 | 0 | 111.7 | R164 M165 R177 | R164-Q168 PolarHBondContact O-N 3.13Å; M165-Q168 WeakPolarHBondContact O-CG 3.49Å; M165-Q168 PolarHBondContact O-N 3.48Å; Q168-R177 WeakPolarHBondContact O-CD 3.31Å; Q168-R177 PolarHBondContact O-NE 2.99Å; Q168-R177 VanDerWaalsContact O-NE 3.09Å; Q168-R177 PolarHBondContact O-NH1 3.49Å |
| 169 | G | 84.6 | Confident | 90.9 | Very high | 73 Ų | 73 | 76 Ų | 76 | 75% | 0.753 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 76.4 | -164.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 170 | H | 86.6 | Confident | 90.6 | Very high | 128 Ų | 128 | 77.4 Ų | 77.4 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | trans | -80.3 | 143.9 | -174.5 | -158.3 | -56 | 0 | 0 | 0 | 111.7 | R172 D173 R177 | H170-R172 PolarHBondContact ND1-N 3.48Å; H170-R172 PolarHBondContact O-N 2.94Å; H170-R172 VanDerWaalsContact O-N 3.1Å; H170-D173 PolarHBondContact O-N 3.39Å; H170-D173 VanDerWaalsContact O-N 3.12Å; H170-R177 PolarHBondContact O-NH1 2.92Å | ||
| 171 | S | 87.6 | Confident | 90.5 | Very high | 95 Ų | 95 | 72.9 Ų | 72.9 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -52.2 | -31.8 | 176.8 | 54 | 0 | 0 | 0 | 0 | 115.1 | D173 R174 | S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.45Å; S171-R174 WeakPolarHBondContact O-CB 3.31Å; S171-R174 PolarHBondContact O-N 3.47Å |
| 172 | R | 89.1 | Confident | 90.4 | Very high | 208 Ų | 208 | 76.1 Ų | 76.1 | 79% | 0.785 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65.2 | -28.4 | -178.8 | -169.9 | 179.3 | 68.4 | -175.7 | -0.1 | 112.8 | H170 R174 | H170-R172 PolarHBondContact ND1-N 3.48Å; H170-R172 PolarHBondContact O-N 2.94Å; H170-R172 VanDerWaalsContact O-N 3.1Å; R172-R174 PolarHBondContact O-N 2.98Å |
| 173 | D | 89.9 | Confident | 90.1 | Very high | 67 Ų | 67 | 81.2 Ų | 81.2 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -90.8 | 17.5 | -175.9 | -52.9 | -41.3 | 0 | 0 | 0 | 112.4 | H170 S171 E175 K176 R177 | H170-D173 PolarHBondContact O-N 3.39Å; H170-D173 VanDerWaalsContact O-N 3.12Å; S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.45Å; D173-E175 PolarHBondContact O-N 3.02Å; D173-K176 HydrophobicContact CB-CB 4.5Å; D173-K176 WeakPolarHBondContact O-CB 3.31Å; D173-K176 PolarHBondContact O-N 3.2Å; D173-R177 VanDerWaalsContact C-NH1 3.28Å; D173-R177 WeakPolarHBondContact O-CG 3.47Å; D173-R177 PolarHBondContact O-N 3.34Å; D173-R177 PolarHBondContact O-NH1 3.46Å |
| 174 | R | 89.3 | Confident | 90.1 | Very high | 149 Ų | 149 | 80.4 Ų | 80.4 | 56% | 0.562 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.1 | -48.8 | -176.9 | -179.3 | 179.2 | 173.2 | 169.7 | 2.6 | 112.5 | S171 R172 K176 R177 E178 | S171-R174 WeakPolarHBondContact O-CB 3.31Å; S171-R174 PolarHBondContact O-N 3.47Å; R172-R174 PolarHBondContact O-N 2.98Å; R174-K176 VanDerWaalsContact C-N 3.32Å; R174-K176 PolarHBondContact O-N 3.34Å; R174-R177 WeakPolarHBondContact O-CB 3.25Å; R174-R177 PolarHBondContact O-N 3.04Å; R174-R177 VanDerWaalsContact O-N 3.13Å; R174-E178 IonicContact CZ-OE1 2.65Å; R174-E178 IonicContact NE-OE1 3.56Å; R174-E178 PolarHBondContact NE-OE1 3.16Å; R174-E178 IonicContact NH2-OE1 3.99Å; R174-E178 PolarHBondContact O-N 3.36Å |
| 175 | E | 91.3 | Very high | 90.1 | Very high | 121 Ų | 121 | 79.6 Ų | 79.6 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | -180 | -164.5 | -162 | 144.9 | 0 | 0 | 111.7 | D173 R177 E178 K179 | D173-E175 PolarHBondContact O-N 3.02Å; E175-R177 VanDerWaalsContact C-N 3.31Å; E175-R177 PolarHBondContact O-N 3.12Å; E175-E178 PolarHBondContact O-N 3.1Å; E175-K179 PolarHBondContact O-N 3.47Å; E175-K179 VanDerWaalsContact O-N 3.1Å; E175-K179 WeakPolarHBondContact OE1-CE 3.35Å; E175-K179 IonicContact OE1-NZ 3.08Å; E175-K179 PolarHBondContact OE1-NZ 3.31Å |
| 176 | K | 89.4 | Confident | 90.2 | Very high | 125 Ų | 125 | 84.8 Ų | 84.8 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 173.9 | -171.7 | -175.5 | 178.5 | -168.3 | 0 | 110.9 | D173 R174 K179 E180 | D173-K176 HydrophobicContact CB-CB 4.5Å; D173-K176 WeakPolarHBondContact O-CB 3.31Å; D173-K176 PolarHBondContact O-N 3.2Å; R174-K176 VanDerWaalsContact C-N 3.32Å; R174-K176 PolarHBondContact O-N 3.34Å; K176-K179 PolarHBondContact O-N 3.35Å; K176-E180 VanDerWaalsContact CE-OE1 3.24Å; K176-E180 WeakPolarHBondContact CE-OE1 3.37Å; K176-E180 IonicContact NZ-OE1 2.77Å; K176-E180 WeakPolarHBondContact O-CB 3.18Å; K176-E180 WeakPolarHBondContact O-CG 3.43Å; K176-E180 PolarHBondContact O-N 3.36Å |
| 177 | R | 90.2 | Very high | 90.3 | Very high | 21 Ų | 21 | 84.7 Ų | 84.7 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 176 | -70.4 | -167.3 | -54.8 | -84.1 | 6.6 | 112.7 | M165 Q166 Q168 H170 D173 R174 E175 K179 E180 R181 | M165-R177 VanDerWaalsContact O-CD 3.25Å; M165-R177 WeakPolarHBondContact O-CD 3.23Å; M165-R177 PolarHBondContact O-NE 3.33Å; Q166-R177 PolarHBondContact O-NE 3.47Å; Q166-R177 PolarHBondContact O-NH2 3.35Å; Q168-R177 WeakPolarHBondContact O-CD 3.31Å; Q168-R177 PolarHBondContact O-NE 2.99Å; Q168-R177 VanDerWaalsContact O-NE 3.09Å; Q168-R177 PolarHBondContact O-NH1 3.49Å; H170-R177 PolarHBondContact O-NH1 2.92Å; D173-R177 VanDerWaalsContact C-NH1 3.28Å; D173-R177 WeakPolarHBondContact O-CG 3.47Å; D173-R177 PolarHBondContact O-N 3.34Å; D173-R177 PolarHBondContact O-NH1 3.46Å; R174-R177 WeakPolarHBondContact O-CB 3.25Å; R174-R177 PolarHBondContact O-N 3.04Å; R174-R177 VanDerWaalsContact O-N 3.13Å; E175-R177 VanDerWaalsContact C-N 3.31Å; E175-R177 PolarHBondContact O-N 3.12Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-E180 PolarHBondContact O-N 2.94Å; R177-R181 VanDerWaalsContact O-CB 3.23Å; R177-R181 WeakPolarHBondContact O-CB 3.43Å; R177-R181 WeakPolarHBondContact O-CG 3.23Å; R177-R181 PolarHBondContact O-N 3.34Å |
| 178 | E | 91.4 | Very high | 90.6 | Very high | 65 Ų | 65 | 77.9 Ų | 77.9 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.6 | -74.8 | 168.8 | -171 | 0 | 0 | 110.9 | Q166 R174 E175 R181 Q182 | Q166-E178 PolarHBondContact NE2-OE1 3.16Å; R174-E178 IonicContact CZ-OE1 2.65Å; R174-E178 IonicContact NE-OE1 3.56Å; R174-E178 PolarHBondContact NE-OE1 3.16Å; R174-E178 IonicContact NH2-OE1 3.99Å; R174-E178 PolarHBondContact O-N 3.36Å; E175-E178 PolarHBondContact O-N 3.1Å; E178-R181 PolarHBondContact O-N 3.48Å; E178-Q182 WeakPolarHBondContact O-CB 3.38Å; E178-Q182 PolarHBondContact O-N 2.92Å |
| 179 | K | 91.6 | Very high | 91 | Very high | 123 Ų | 123 | 75.4 Ų | 75.4 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 172.4 | -69.8 | 174.7 | -174.1 | 161 | 0 | 112.3 | E175 K176 R177 R181 Q182 E183 | E175-K179 PolarHBondContact O-N 3.47Å; E175-K179 VanDerWaalsContact O-N 3.1Å; E175-K179 WeakPolarHBondContact OE1-CE 3.35Å; E175-K179 IonicContact OE1-NZ 3.08Å; E175-K179 PolarHBondContact OE1-NZ 3.31Å; K176-K179 PolarHBondContact O-N 3.35Å; R177-K179 VanDerWaalsContact C-N 3.33Å; K179-R181 VanDerWaalsContact C-N 3.32Å; K179-R181 PolarHBondContact O-N 2.78Å; K179-Q182 WeakPolarHBondContact O-CB 3.35Å; K179-Q182 PolarHBondContact O-N 3.22Å; K179-Q182 VanDerWaalsContact O-N 3.14Å; K179-E183 PolarHBondContact O-N 3.35Å; K179-E183 VanDerWaalsContact O-N 3.12Å |
| 180 | E | 90.4 | Very high | 91.5 | Very high | 30 Ų | 30 | 73.6 Ų | 73.6 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 176.5 | -78.7 | 176.1 | -177.8 | 0 | 0 | 112.8 | P26 K176 R177 Q182 E183 L184 | P26-E180 HydrophobicContact CG-CB 3.9Å; P26-E180 HydrophobicContact CG-CG 3.76Å; K176-E180 VanDerWaalsContact CE-OE1 3.24Å; K176-E180 WeakPolarHBondContact CE-OE1 3.37Å; K176-E180 IonicContact NZ-OE1 2.77Å; K176-E180 WeakPolarHBondContact O-CB 3.18Å; K176-E180 WeakPolarHBondContact O-CG 3.43Å; K176-E180 PolarHBondContact O-N 3.36Å; R177-E180 PolarHBondContact O-N 2.94Å; E180-Q182 VanDerWaalsContact C-N 3.33Å; E180-E183 PolarHBondContact O-N 3.08Å; E180-L184 WeakPolarHBondContact O-CG 3.47Å; E180-L184 PolarHBondContact O-N 3.27Å |
| 181 | R | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 175 | -79 | -179.6 | 73.6 | -152.7 | -4.9 | 111.3 | W162 M165 R177 E178 K179 E183 L184 R185 D223 L225 | W162-R181 PolarHBondContact NE1-O 3.47Å; W162-R181 PolarHBondContact O-NE 3.17Å; M165-R181 HydrophobicContact CB-CG 3.83Å; M165-R181 HydrophobicContact CE-CG 4.48Å; M165-R181 HydrophobicContact SD-CG 4.45Å; R177-R181 VanDerWaalsContact O-CB 3.23Å; R177-R181 WeakPolarHBondContact O-CB 3.43Å; R177-R181 WeakPolarHBondContact O-CG 3.23Å; R177-R181 PolarHBondContact O-N 3.34Å; E178-R181 PolarHBondContact O-N 3.48Å; K179-R181 VanDerWaalsContact C-N 3.32Å; K179-R181 PolarHBondContact O-N 2.78Å; R181-E183 VanDerWaalsContact C-N 3.3Å; R181-E183 PolarHBondContact O-N 3.05Å; R181-L184 PolarHBondContact O-N 3.24Å; R181-R185 PolarHBondContact O-N 3.46Å; R181-D223 IonicContact CZ-OD1 2.64Å; R181-D223 IonicContact CZ-OD2 3.63Å; R181-D223 IonicContact NH1-OD1 2.62Å; R181-D223 PolarHBondContact NH1-OD1 3.07Å; R181-D223 IonicContact NH1-OD2 3.73Å; R181-D223 PolarHBondContact NH1-OD2 3.25Å; R181-D223 VanDerWaalsContact NH2-CG 3.33Å; R181-D223 IonicContact NH2-OD1 2.66Å; R181-D223 IonicContact NH2-OD2 3.77Å; R181-D223 PolarHBondContact NH2-OD2 2.81Å; R181-L225 HydrophobicContact CB-CD2 3.8Å |
| 182 | Q | 92.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 176.3 | -166.8 | 72.9 | -25.3 | 0 | 0 | 112 | E178 K179 E180 R185 | E178-Q182 WeakPolarHBondContact O-CB 3.38Å; E178-Q182 PolarHBondContact O-N 2.92Å; K179-Q182 WeakPolarHBondContact O-CB 3.35Å; K179-Q182 PolarHBondContact O-N 3.22Å; K179-Q182 VanDerWaalsContact O-N 3.14Å; E180-Q182 VanDerWaalsContact C-N 3.33Å; Q182-R185 WeakPolarHBondContact O-CD 3.23Å; Q182-R185 WeakPolarHBondContact O-CG 3.25Å; Q182-R185 PolarHBondContact O-NE 2.97Å |
| 183 | E | 89.9 | Confident | 92.5 | Very high | 106 Ų | 106 | 55.6 Ų | 55.6 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 173 | -66.1 | 174.1 | 175.9 | 0 | 0 | 111.5 | K179 E180 R181 | K179-E183 PolarHBondContact O-N 3.35Å; K179-E183 VanDerWaalsContact O-N 3.12Å; E180-E183 PolarHBondContact O-N 3.08Å; R181-E183 VanDerWaalsContact C-N 3.3Å; R181-E183 PolarHBondContact O-N 3.05Å |
| 184 | L | 93.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -83.6 | -7.3 | -175.6 | -65 | 178.4 | 0 | 0 | 0 | 115.1 | P26 L110 F114 M165 E180 R181 I186 L187 | P26-L184 HydrophobicContact CB-CD1 3.96Å; P26-L184 HydrophobicContact CB-CD2 4.24Å; P26-L184 HydrophobicContact CB-CG 4.17Å; P26-L184 HydrophobicContact CG-CD1 4.4Å; L110-L184 HydrophobicContact CD1-CD1 3.74Å; F114-L184 HydrophobicContact CE2-CD2 4Å; F114-L184 HydrophobicContact CZ-CD2 3.9Å; M165-L184 HydrophobicContact CE-CD1 3.4Å; M165-L184 VanDerWaalsContact CE-CD1 3.4Å; M165-L184 HydrophobicContact SD-CD1 3.64Å; E180-L184 WeakPolarHBondContact O-CG 3.47Å; E180-L184 PolarHBondContact O-N 3.27Å; R181-L184 PolarHBondContact O-N 3.24Å; L184-I186 PolarHBondContact O-N 3.14Å; L184-I186 VanDerWaalsContact O-N 3.14Å; L184-L187 HydrophobicContact CB-CD1 3.89Å; L184-L187 HydrophobicContact CD2-CD1 3.51Å; L184-L187 HydrophobicContact CG-CD1 4.29Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 WeakPolarHBondContact O-CD1 3.43Å; L184-L187 PolarHBondContact O-N 2.99Å |
| 185 | R | 94.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.4 | -32.4 | -178.1 | 74.3 | -167.8 | 173 | 155.9 | 0.6 | 113.1 | W162 R181 Q182 L187 V188 G189 Y229 | W162-R185 HydrophobicContact CH2-CB 3.95Å; W162-R185 HydrophobicContact CZ2-CB 3.57Å; R181-R185 PolarHBondContact O-N 3.46Å; Q182-R185 WeakPolarHBondContact O-CD 3.23Å; Q182-R185 WeakPolarHBondContact O-CG 3.25Å; Q182-R185 PolarHBondContact O-NE 2.97Å; R185-L187 PolarHBondContact O-N 2.84Å; R185-V188 PolarHBondContact O-N 3.29Å; R185-V188 VanDerWaalsContact O-N 3.08Å; R185-G189 PolarHBondContact O-N 3.43Å; R185-Y229 HydrophobicContact CB-CD1 3.73Å; R185-Y229 HydrophobicContact CB-CD2 4.23Å; R185-Y229 HydrophobicContact CB-CE1 3.7Å; R185-Y229 HydrophobicContact CB-CE2 4.2Å; R185-Y229 HydrophobicContact CB-CG 3.98Å; R185-Y229 VanDerWaalsContact CD-CD2 3.46Å; R185-Y229 HydrophobicContact CG-CD1 4.18Å; R185-Y229 HydrophobicContact CG-CD2 3.79Å; R185-Y229 HydrophobicContact CG-CE1 4Å; R185-Y229 HydrophobicContact CG-CE2 3.58Å; R185-Y229 HydrophobicContact CG-CG 4.06Å; R185-Y229 WeakPolarHBondContact O-CE1 3.46Å; R185-Y229 PolarHBondContact O-OH 3.45Å |
| 186 | I | 93.1 | Very high | 92.9 | Very high | 110 Ų | 110 | 43 Ų | 43 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.2 | -34.5 | 179.2 | -61.9 | 174.1 | 0 | 0 | 0 | 111.4 | L184 V188 G189 T190 Y229 | L184-I186 PolarHBondContact O-N 3.14Å; L184-I186 VanDerWaalsContact O-N 3.14Å; I186-V188 VanDerWaalsContact C-N 3.27Å; I186-V188 PolarHBondContact O-N 2.9Å; I186-G189 PolarHBondContact O-N 3.22Å; I186-T190 PolarHBondContact O-N 3.2Å; I186-T190 PolarHBondContact O-OG1 3.27Å; I186-Y229 WeakPolarHBondContact CA-OH 3.3Å |
| 187 | L | 93.6 | Very high | 93 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 178.2 | -68 | 100.5 | 0 | 0 | 0 | 111.6 | F114 N117 M158 L184 R185 | F114-L187 HydrophobicContact CD1-CD2 3.85Å; F114-L187 HydrophobicContact CE1-CD2 3.81Å; F114-L187 HydrophobicContact CG-CD2 4.35Å; F114-L187 HydrophobicContact CZ-CD2 4.24Å; N117-L187 HydrophobicContact CB-CD2 3.76Å; M158-L187 HydrophobicContact CE-CB 3.95Å; M158-L187 VanDerWaalsContact CE-O 3.25Å; M158-L187 WeakPolarHBondContact CE-O 3.32Å; L184-L187 HydrophobicContact CB-CD1 3.89Å; L184-L187 HydrophobicContact CD2-CD1 3.51Å; L184-L187 HydrophobicContact CG-CD1 4.29Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 WeakPolarHBondContact O-CD1 3.43Å; L184-L187 PolarHBondContact O-N 2.99Å; R185-L187 PolarHBondContact O-N 2.84Å |
| 188 | V | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.9 | -45.4 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | L113 F155 M158 W162 R185 I186 T190 N191 L230 | L113-V188 HydrophobicContact CD2-CG2 4.1Å; F155-V188 HydrophobicContact CD2-CG1 3.96Å; F155-V188 HydrophobicContact CE2-CG1 3.83Å; M158-V188 HydrophobicContact CB-CG1 4.49Å; M158-V188 HydrophobicContact CB-CG2 4.36Å; W162-V188 HydrophobicContact CB-CG2 4Å; W162-V188 HydrophobicContact CD2-CG2 4.26Å; W162-V188 HydrophobicContact CE3-CG2 4.27Å; W162-V188 HydrophobicContact CG-CG2 4.16Å; R185-V188 PolarHBondContact O-N 3.29Å; R185-V188 VanDerWaalsContact O-N 3.08Å; I186-V188 VanDerWaalsContact C-N 3.27Å; I186-V188 PolarHBondContact O-N 2.9Å; V188-T190 PolarHBondContact O-N 3.41Å; V188-N191 WeakPolarHBondContact O-CB 3.41Å; V188-N191 PolarHBondContact O-N 3.45Å; V188-N191 VanDerWaalsContact O-N 3.1Å; V188-N191 PolarHBondContact O-ND2 3.48Å; V188-L230 HydrophobicContact CG1-CD2 4.09Å |
| 189 | G | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -26.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R185 I186 N191 L192 V193 | R185-G189 PolarHBondContact O-N 3.43Å; I186-G189 PolarHBondContact O-N 3.22Å; G189-N191 PolarHBondContact O-N 3.28Å; G189-N191 VanDerWaalsContact O-N 3.16Å; G189-L192 WeakPolarHBondContact O-CB 3.31Å; G189-L192 PolarHBondContact O-N 3.46Å; G189-V193 PolarHBondContact O-N 2.63Å; G189-V193 VanDerWaalsContact O-N 3.09Å |
| 190 | T | 94.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -29.7 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | L120 I186 V188 V193 R194 | L120-T190 HydrophobicContact CD2-CG2 3.85Å; I186-T190 PolarHBondContact O-N 3.2Å; I186-T190 PolarHBondContact O-OG1 3.27Å; V188-T190 PolarHBondContact O-N 3.41Å; T190-V193 PolarHBondContact O-N 2.96Å; T190-R194 PolarHBondContact O-N 3.05Å |
| 191 | N | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 174 | -63.5 | -86.6 | 0 | 0 | 0 | 111.8 | L120 V151 N154 F155 M158 V188 G189 V193 R194 L195 | L120-N191 HydrophobicContact CD2-CB 4.31Å; V151-N191 HydrophobicContact CG1-CB 4.02Å; V151-N191 WeakPolarHBondContact CG1-O 3.46Å; N154-N191 PolarHBondContact ND2-OD1 3.08Å; F155-N191 HydrophobicContact CB-CB 3.95Å; F155-N191 HydrophobicContact CD2-CB 4.18Å; M158-N191 PolarHBondContact SD-ND2 2.95Å; V188-N191 WeakPolarHBondContact O-CB 3.41Å; V188-N191 PolarHBondContact O-N 3.45Å; V188-N191 VanDerWaalsContact O-N 3.1Å; V188-N191 PolarHBondContact O-ND2 3.48Å; G189-N191 PolarHBondContact O-N 3.28Å; G189-N191 VanDerWaalsContact O-N 3.16Å; N191-V193 VanDerWaalsContact C-N 3.33Å; N191-R194 WeakPolarHBondContact O-CB 3.43Å; N191-R194 PolarHBondContact O-N 2.89Å; N191-L195 PolarHBondContact O-N 3.29Å |
| 192 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 178 | -57.2 | -174.6 | 0 | 0 | 0 | 110.7 | F155 G189 R194 L195 S196 V214 L230 C233 I234 V237 F238 | F155-L192 HydrophobicContact CD2-CD2 4.06Å; F155-L192 HydrophobicContact CD2-CG 4.46Å; F155-L192 HydrophobicContact CE2-CD1 4.44Å; F155-L192 HydrophobicContact CE2-CD2 3.92Å; F155-L192 HydrophobicContact CE2-CG 4.2Å; F155-L192 HydrophobicContact CG-CD2 4.45Å; F155-L192 HydrophobicContact CZ-CD2 4.21Å; G189-L192 WeakPolarHBondContact O-CB 3.31Å; G189-L192 PolarHBondContact O-N 3.46Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.44Å; L192-L195 HydrophobicContact CD2-CD1 4.16Å; L192-L195 WeakPolarHBondContact O-CB 3.37Å; L192-L195 PolarHBondContact O-N 2.93Å; L192-S196 PolarHBondContact O-N 3.47Å; L192-V214 HydrophobicContact CD2-CG1 4.08Å; L192-V214 HydrophobicContact CD2-CG2 3.69Å; L192-L230 HydrophobicContact CD1-CD2 4.38Å; L192-C233 HydrophobicContact CD1-CB 4.12Å; L192-I234 HydrophobicContact CD1-CG1 4.14Å; L192-V237 HydrophobicContact CB-CG1 4.39Å; L192-V237 WeakPolarHBondContact O-CG1 3.15Å; L192-F238 HydrophobicContact CB-CE2 4.44Å |
| 193 | V | 95.3 | Very high | 91.9 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -38.6 | 173.1 | 176.8 | 0 | 0 | 0 | 0 | 111 | G189 T190 N191 L195 S196 Q197 V237 | G189-V193 PolarHBondContact O-N 2.63Å; G189-V193 VanDerWaalsContact O-N 3.09Å; T190-V193 PolarHBondContact O-N 2.96Å; N191-V193 VanDerWaalsContact C-N 3.33Å; V193-L195 VanDerWaalsContact C-N 3.35Å; V193-S196 PolarHBondContact O-N 3.06Å; V193-S196 PolarHBondContact O-OG 3.07Å; V193-S196 VanDerWaalsContact O-OG 3.1Å; V193-Q197 VanDerWaalsContact O-CG 3.26Å; V193-Q197 WeakPolarHBondContact O-CG 3.35Å; V193-Q197 PolarHBondContact O-N 3.3Å; V193-V237 VanDerWaalsContact CA-CG1 3.5Å; V193-V237 HydrophobicContact CB-CG1 4.31Å; V193-V237 HydrophobicContact CG2-CG1 3.96Å; V193-V237 HydrophobicContact CG2-CG2 3.71Å |
| 194 | R | 93.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.1 | -167.2 | 70.6 | -160.9 | 115.9 | 14.3 | 111.5 | L120 R124 L127 V151 T190 N191 L192 S196 Q197 | L120-R194 HydrophobicContact CD1-CB 4.14Å; L120-R194 HydrophobicContact CD1-CG 4.05Å; L120-R194 HydrophobicContact CD2-CB 4.38Å; L120-R194 HydrophobicContact CG-CB 4.46Å; R124-R194 PolarHBondContact O-NE 2.85Å; R124-R194 PolarHBondContact O-NH2 3.5Å; L127-R194 HydrophobicContact CD1-CG 4.01Å; V151-R194 HydrophobicContact CG2-CG 4.43Å; T190-R194 PolarHBondContact O-N 3.05Å; N191-R194 WeakPolarHBondContact O-CB 3.43Å; N191-R194 PolarHBondContact O-N 2.89Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.44Å; R194-S196 VanDerWaalsContact C-N 3.35Å; R194-S196 PolarHBondContact O-N 3.26Å; R194-Q197 PolarHBondContact O-N 3.27Å |
| 195 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 175.9 | -73.5 | 164 | 0 | 0 | 0 | 112.7 | V151 L152 N191 L192 V193 Q197 L198 V210 F238 | V151-L195 HydrophobicContact CB-CD2 3.9Å; V151-L195 HydrophobicContact CB-CG 4.16Å; V151-L195 HydrophobicContact CG1-CD1 4.1Å; V151-L195 HydrophobicContact CG1-CD2 4Å; V151-L195 HydrophobicContact CG1-CG 3.67Å; L152-L195 HydrophobicContact CD2-CD1 3.91Å; N191-L195 PolarHBondContact O-N 3.29Å; L192-L195 HydrophobicContact CD2-CD1 4.16Å; L192-L195 WeakPolarHBondContact O-CB 3.37Å; L192-L195 PolarHBondContact O-N 2.93Å; V193-L195 VanDerWaalsContact C-N 3.35Å; L195-Q197 VanDerWaalsContact C-N 3.3Å; L195-Q197 PolarHBondContact O-N 3.39Å; L195-L198 HydrophobicContact CD2-CD1 4.29Å; L195-L198 PolarHBondContact O-N 2.92Å; L195-V210 HydrophobicContact CB-CG1 4.45Å; L195-V210 HydrophobicContact CD1-CG1 4.07Å; L195-V210 HydrophobicContact CD2-CG1 4.47Å; L195-F238 HydrophobicContact CB-CE1 4.13Å; L195-F238 HydrophobicContact CB-CZ 4.04Å |
| 196 | S | 93.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 30% | 0.301 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -75.4 | -18 | 178 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | L192 V193 R194 L198 V237 | L192-S196 PolarHBondContact O-N 3.47Å; V193-S196 PolarHBondContact O-N 3.06Å; V193-S196 PolarHBondContact O-OG 3.07Å; V193-S196 VanDerWaalsContact O-OG 3.1Å; R194-S196 VanDerWaalsContact C-N 3.35Å; R194-S196 PolarHBondContact O-N 3.26Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-V237 WeakPolarHBondContact CB-O 3.48Å; S196-V237 VanDerWaalsContact OG-CG1 3.22Å; S196-V237 WeakPolarHBondContact OG-CG1 3.45Å; S196-V237 PolarHBondContact OG-O 2.88Å |
| 197 | Q | 91.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.3 | 175.6 | -72.8 | 171.1 | 2.5 | 0 | 0 | 113.7 | V193 R194 L195 E199 | V193-Q197 VanDerWaalsContact O-CG 3.26Å; V193-Q197 WeakPolarHBondContact O-CG 3.35Å; V193-Q197 PolarHBondContact O-N 3.3Å; R194-Q197 PolarHBondContact O-N 3.27Å; L195-Q197 VanDerWaalsContact C-N 3.3Å; L195-Q197 PolarHBondContact O-N 3.39Å; Q197-E199 PolarHBondContact O-N 3.05Å |
| 198 | L | 89.8 | Confident | 91.7 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | -79.3 | 116.7 | 176.8 | -66 | 174.3 | 0 | 0 | 0 | 109.2 | D129 I144 I148 L195 S196 G200 V201 | D129-L198 WeakPolarHBondContact OD2-CA 3.19Å; I144-L198 HydrophobicContact CD1-CB 4.03Å; I144-L198 HydrophobicContact CD1-CD1 4.01Å; I144-L198 HydrophobicContact CD1-CD2 4.31Å; I144-L198 HydrophobicContact CD1-CG 4.34Å; I148-L198 HydrophobicContact CG1-CD1 4.33Å; L195-L198 HydrophobicContact CD2-CD1 4.29Å; L195-L198 PolarHBondContact O-N 2.92Å; S196-L198 VanDerWaalsContact C-N 3.33Å; L198-G200 VanDerWaalsContact C-N 3.33Å; L198-G200 PolarHBondContact O-N 3.25Å; L198-V201 HydrophobicContact CB-CG2 3.61Å; L198-V201 HydrophobicContact CD1-CG2 4.2Å; L198-V201 PolarHBondContact O-N 2.95Å | ||
| 199 | E | 84.1 | Confident | 91.6 | Very high | 167 Ų | 167 | 45.5 Ų | 45.5 | 78% | 0.78 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -32.3 | -174.7 | -67.7 | -174.7 | 178.2 | 0 | 0 | 111.7 | D129 Q197 V201 | D129-E199 PolarHBondContact OD2-N 2.83Å; Q197-E199 PolarHBondContact O-N 3.05Å; E199-V201 PolarHBondContact O-N 3.02Å; E199-V201 VanDerWaalsContact O-N 3.16Å |
| 200 | G | 82.1 | Confident | 91.7 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -4.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | D129 D130 L198 N202 K205 | D129-G200 WeakPolarHBondContact OD1-CA 3.28Å; D129-G200 PolarHBondContact OD1-N 3.24Å; D130-G200 WeakPolarHBondContact OD2-CA 3.19Å; L198-G200 VanDerWaalsContact C-N 3.33Å; L198-G200 PolarHBondContact O-N 3.25Å; G200-N202 PolarHBondContact O-N 3.39Å; G200-K205 VanDerWaalsContact O-CD 3.29Å; G200-K205 WeakPolarHBondContact O-CD 3.27Å; G200-K205 PolarHBondContact O-NZ 3.02Å |
| 201 | V | 89 | Confident | 91.7 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -82.7 | 92.8 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | I144 I148 L198 E199 V210 F242 | I144-V201 HydrophobicContact CD1-CG2 4.48Å; I148-V201 HydrophobicContact CD1-CG2 4.13Å; I148-V201 HydrophobicContact CG1-CG2 4.29Å; L198-V201 HydrophobicContact CB-CG2 3.61Å; L198-V201 HydrophobicContact CD1-CG2 4.2Å; L198-V201 PolarHBondContact O-N 2.95Å; E199-V201 PolarHBondContact O-N 3.02Å; E199-V201 VanDerWaalsContact O-N 3.16Å; V201-V210 HydrophobicContact CG1-CG2 4.21Å; V201-F242 HydrophobicContact CG1-CE2 4.33Å; V201-F242 WeakPolarHBondContact O-CZ 3.49Å | ||
| 202 | N | 90 | Very high | 91.6 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | trans | -81.5 | 172.5 | 170.9 | 66.9 | 24.1 | 0 | 0 | 0 | 112.2 | G200 D204 K205 Y206 | G200-N202 PolarHBondContact O-N 3.39Å; N202-D204 PolarHBondContact O-N 3.36Å; N202-D204 PolarHBondContact OD1-N 2.91Å; N202-K205 PolarHBondContact O-N 3.5Å; N202-K205 WeakPolarHBondContact OD1-CB 3.44Å; N202-K205 WeakPolarHBondContact OD1-CG 3.47Å; N202-K205 PolarHBondContact OD1-N 3.41Å; N202-Y206 WeakPolarHBondContact O-CB 3.2Å; N202-Y206 PolarHBondContact O-N 2.82Å | ||
| 203 | V | 90.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.5 | -39.4 | 178 | 148.9 | 0 | 0 | 0 | 0 | 112.8 | K207 F242 Q245 | V203-K207 HydrophobicContact CG1-CD 3.93Å; V203-K207 WeakPolarHBondContact O-CB 3.37Å; V203-K207 VanDerWaalsContact O-CG 3.24Å; V203-K207 WeakPolarHBondContact O-CG 3.35Å; V203-K207 PolarHBondContact O-N 2.87Å; V203-F242 HydrophobicContact CG2-CD1 3.47Å; V203-F242 VanDerWaalsContact CG2-CD1 3.47Å; V203-F242 HydrophobicContact CG2-CE1 3.74Å; V203-Q245 HydrophobicContact CG1-CB 4.35Å; V203-Q245 HydrophobicContact CG1-CG 4.34Å |
| 204 | D | 91.1 | Very high | 91.5 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.6 | -43.9 | -175 | -66.9 | -35.3 | 0 | 0 | 0 | 112.3 | N202 Y206 K207 Q208 | N202-D204 PolarHBondContact O-N 3.36Å; N202-D204 PolarHBondContact OD1-N 2.91Å; D204-Y206 VanDerWaalsContact C-N 3.29Å; D204-Y206 PolarHBondContact O-N 3.1Å; D204-K207 PolarHBondContact O-N 3.39Å; D204-Q208 WeakPolarHBondContact O-CB 3.43Å; D204-Q208 WeakPolarHBondContact O-CG 3.29Å; D204-Q208 PolarHBondContact O-N 2.9Å |
| 205 | K | 91.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 172.2 | -73.1 | 176.2 | -176.4 | 171.9 | 0 | 110.6 | D130 G200 N202 I209 V210 | D130-K205 IonicContact OD2-NZ 3.91Å; D130-K205 PolarHBondContact OD2-NZ 2.87Å; G200-K205 VanDerWaalsContact O-CD 3.29Å; G200-K205 WeakPolarHBondContact O-CD 3.27Å; G200-K205 PolarHBondContact O-NZ 3.02Å; N202-K205 PolarHBondContact O-N 3.5Å; N202-K205 WeakPolarHBondContact OD1-CB 3.44Å; N202-K205 WeakPolarHBondContact OD1-CG 3.47Å; N202-K205 PolarHBondContact OD1-N 3.41Å; K205-I209 WeakPolarHBondContact O-CB 3.34Å; K205-I209 PolarHBondContact O-N 3.16Å; K205-V210 PolarHBondContact O-N 3.38Å |
| 206 | Y | 94.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -60.8 | -50.6 | 174.7 | 178.8 | -101.9 | 0 | 0 | 0 | 111.4 | N202 D204 V210 L211 F238 F242 T246 | N202-Y206 WeakPolarHBondContact O-CB 3.2Å; N202-Y206 PolarHBondContact O-N 2.82Å; D204-Y206 VanDerWaalsContact C-N 3.29Å; D204-Y206 PolarHBondContact O-N 3.1Å; Y206-V210 HydrophobicContact CD2-CB 3.92Å; Y206-V210 HydrophobicContact CD2-CG1 3.96Å; Y206-V210 HydrophobicContact CE2-CG1 4.19Å; Y206-V210 PolarHBondContact O-N 3.01Å; Y206-L211 HydrophobicContact CD1-CB 4.29Å; Y206-L211 HydrophobicContact CE1-CB 3.96Å; Y206-L211 HydrophobicContact CE1-CD1 4.42Å; Y206-L211 HydrophobicContact CE1-CD2 4.04Å; Y206-L211 HydrophobicContact CE1-CG 4.36Å; Y206-L211 HydrophobicContact CE2-CB 4.34Å; Y206-L211 VanDerWaalsContact O-CB 3.25Å; Y206-L211 WeakPolarHBondContact O-CB 3.38Å; Y206-L211 PolarHBondContact O-N 2.81Å; Y206-F238 HydrophobicContact CD2-CD1 4.03Å; Y206-F238 HydrophobicContact CD2-CE1 4.09Å; Y206-F238 HydrophobicContact CD2-CG 4.49Å; Y206-F238 HydrophobicContact CE2-CB 4.25Å; Y206-F238 AromaticContact CE2-CD1 3.49Å; Y206-F238 HydrophobicContact CE2-CD1 3.49Å; Y206-F238 VanDerWaalsContact CE2-CD1 3.49Å; Y206-F238 AromaticContact CE2-CD2 3.79Å; Y206-F238 HydrophobicContact CE2-CD2 3.79Å; Y206-F238 AromaticContact CE2-CE1 3.67Å; Y206-F238 HydrophobicContact CE2-CE1 3.67Å; Y206-F238 AromaticContact CE2-CE2 3.95Å; Y206-F238 HydrophobicContact CE2-CE2 3.95Å; Y206-F238 AromaticContact CE2-CG 3.55Å; Y206-F238 HydrophobicContact CE2-CG 3.55Å; Y206-F238 AromaticContact CE2-CZ 3.89Å; Y206-F238 HydrophobicContact CE2-CZ 3.89Å; Y206-F238 AromaticContact CZ-CG 3.94Å; Y206-F242 HydrophobicContact CD1-CB 3.7Å; Y206-F242 AromaticContact CD1-CD2 3.79Å; Y206-F242 HydrophobicContact CD1-CD2 3.79Å; Y206-F242 AromaticContact CD1-CG 3.87Å; Y206-F242 HydrophobicContact CD1-CG 3.87Å; Y206-F242 AromaticContact CD2-CD2 3.69Å; Y206-F242 HydrophobicContact CD2-CD2 3.69Å; Y206-F242 HydrophobicContact CD2-CE2 4.12Å; Y206-F242 HydrophobicContact CE1-CB 3.64Å; Y206-F242 HydrophobicContact CE1-CD2 4.14Å; Y206-F242 HydrophobicContact CE1-CG 4.22Å; Y206-F242 HydrophobicContact CE2-CD2 4.05Å; Y206-F242 HydrophobicContact CG-CB 4.34Å; Y206-F242 AromaticContact CG-CD2 3.53Å; Y206-F242 HydrophobicContact CG-CD2 3.53Å; Y206-F242 HydrophobicContact CG-CE2 4.05Å; Y206-F242 HydrophobicContact CG-CG 4.04Å; Y206-T246 HydrophobicContact CD1-CG2 4.2Å; Y206-T246 HydrophobicContact CE1-CG2 4.11Å |
| 207 | K | 92.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -56.2 | -52.7 | 178.4 | -83.7 | 170.2 | 174.9 | 176.3 | 0 | 113.1 | V203 D204 Q245 T246 | V203-K207 HydrophobicContact CG1-CD 3.93Å; V203-K207 WeakPolarHBondContact O-CB 3.37Å; V203-K207 VanDerWaalsContact O-CG 3.24Å; V203-K207 WeakPolarHBondContact O-CG 3.35Å; V203-K207 PolarHBondContact O-N 2.87Å; D204-K207 PolarHBondContact O-N 3.39Å; K207-Q245 VanDerWaalsContact CE-CB 3.41Å; K207-Q245 VanDerWaalsContact CE-O 3.22Å; K207-Q245 WeakPolarHBondContact CE-O 3.27Å; K207-T246 HydrophobicContact CB-CG2 4.5Å; K207-T246 HydrophobicContact CG-CG2 3.48Å; K207-T246 VanDerWaalsContact CG-CG2 3.48Å |
| 208 | Q | 92.4 | Very high | 91.6 | Very high | 145 Ų | 145 | 45.7 Ų | 45.7 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -84 | -36.1 | -166.8 | -65.6 | -179.4 | 8 | 0 | 0 | 112.7 | D204 S212 | D204-Q208 WeakPolarHBondContact O-CB 3.43Å; D204-Q208 WeakPolarHBondContact O-CG 3.29Å; D204-Q208 PolarHBondContact O-N 2.9Å; Q208-S212 WeakPolarHBondContact O-CB 3.26Å |
| 209 | I | 92.8 | Very high | 91.7 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 30% | 0.297 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -111.7 | -62.2 | -169.8 | -51.4 | 175.2 | 0 | 0 | 0 | 110.2 | I148 L152 K205 G213 | I148-I209 HydrophobicContact CG2-CG2 3.69Å; L152-I209 HydrophobicContact CD1-CG2 4.28Å; K205-I209 WeakPolarHBondContact O-CB 3.34Å; K205-I209 PolarHBondContact O-N 3.16Å; I209-G213 PolarHBondContact O-N 3.29Å |
| 210 | V | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -65.8 | -57 | -170.1 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | I148 L195 V201 K205 Y206 S212 G213 V214 F238 | I148-V210 HydrophobicContact CD1-CG2 4.23Å; I148-V210 HydrophobicContact CG1-CG2 4.33Å; I148-V210 HydrophobicContact CG2-CG2 3.86Å; L195-V210 HydrophobicContact CB-CG1 4.45Å; L195-V210 HydrophobicContact CD1-CG1 4.07Å; L195-V210 HydrophobicContact CD2-CG1 4.47Å; V201-V210 HydrophobicContact CG1-CG2 4.21Å; K205-V210 PolarHBondContact O-N 3.38Å; Y206-V210 HydrophobicContact CD2-CB 3.92Å; Y206-V210 HydrophobicContact CD2-CG1 3.96Å; Y206-V210 HydrophobicContact CE2-CG1 4.19Å; Y206-V210 PolarHBondContact O-N 3.01Å; V210-S212 PolarHBondContact O-N 3.46Å; V210-G213 PolarHBondContact O-N 3.33Å; V210-V214 VanDerWaalsContact O-CG2 3.3Å; V210-V214 WeakPolarHBondContact O-CG2 3.41Å; V210-V214 PolarHBondContact O-N 3.19Å; V210-F238 HydrophobicContact CG1-CE1 4.35Å; V210-F238 HydrophobicContact CG1-CZ 4.07Å |
| 211 | L | 94.7 | Very high | 92.5 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | -177.1 | -178.8 | 63.9 | 0 | 0 | 0 | 110.9 | Y206 G213 V214 L215 I234 T246 | Y206-L211 HydrophobicContact CD1-CB 4.29Å; Y206-L211 HydrophobicContact CE1-CB 3.96Å; Y206-L211 HydrophobicContact CE1-CD1 4.42Å; Y206-L211 HydrophobicContact CE1-CD2 4.04Å; Y206-L211 HydrophobicContact CE1-CG 4.36Å; Y206-L211 HydrophobicContact CE2-CB 4.34Å; Y206-L211 VanDerWaalsContact O-CB 3.25Å; Y206-L211 WeakPolarHBondContact O-CB 3.38Å; Y206-L211 PolarHBondContact O-N 2.81Å; L211-G213 PolarHBondContact O-N 3.31Å; L211-V214 PolarHBondContact O-N 2.89Å; L211-L215 HydrophobicContact CD1-CD1 3.73Å; L211-L215 HydrophobicContact CD1-CD2 4.25Å; L211-L215 HydrophobicContact CD1-CG 3.74Å; L211-L215 HydrophobicContact CD2-CD1 4.18Å; L211-L215 HydrophobicContact CG-CD1 3.63Å; L211-L215 HydrophobicContact CG-CG 4.04Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 VanDerWaalsContact O-CG 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.26Å; L211-L215 PolarHBondContact O-N 3.29Å; L211-I234 HydrophobicContact CD1-CG2 4.36Å; L211-T246 HydrophobicContact CD2-CG2 3.52Å |
| 212 | S | 93.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 176.2 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | Q208 V210 V214 L215 E216 | Q208-S212 WeakPolarHBondContact O-CB 3.26Å; V210-S212 PolarHBondContact O-N 3.46Å; S212-V214 PolarHBondContact O-N 3.03Å; S212-L215 PolarHBondContact O-N 3.18Å; S212-E216 VanDerWaalsContact O-CB 3.31Å; S212-E216 WeakPolarHBondContact O-CB 3.34Å; S212-E216 PolarHBondContact O-N 3.38Å |
| 213 | G | 93.4 | Very high | 92.8 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I209 V210 L211 Q217 | I209-G213 PolarHBondContact O-N 3.29Å; V210-G213 PolarHBondContact O-N 3.33Å; L211-G213 PolarHBondContact O-N 3.31Å; G213-Q217 WeakPolarHBondContact O-CG 3.23Å; G213-Q217 PolarHBondContact O-N 2.86Å |
| 214 | V | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70 | -48.9 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | L152 F155 L192 V210 L211 S212 E216 Q217 V218 I234 | L152-V214 HydrophobicContact CD2-CG2 3.77Å; F155-V214 HydrophobicContact CD1-CG2 4.43Å; F155-V214 HydrophobicContact CE1-CB 4.27Å; F155-V214 HydrophobicContact CE1-CG1 3.97Å; F155-V214 HydrophobicContact CE1-CG2 4.17Å; F155-V214 HydrophobicContact CZ-CG1 4Å; L192-V214 HydrophobicContact CD2-CG1 4.08Å; L192-V214 HydrophobicContact CD2-CG2 3.69Å; V210-V214 VanDerWaalsContact O-CG2 3.3Å; V210-V214 WeakPolarHBondContact O-CG2 3.41Å; V210-V214 PolarHBondContact O-N 3.19Å; L211-V214 PolarHBondContact O-N 2.89Å; S212-V214 PolarHBondContact O-N 3.03Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 2.99Å; V214-Q217 PolarHBondContact O-N 3.44Å; V214-Q217 VanDerWaalsContact O-N 3.1Å; V214-V218 HydrophobicContact CG1-CG2 4.37Å; V214-V218 WeakPolarHBondContact O-CG2 3.35Å; V214-V218 PolarHBondContact O-N 3.35Å; V214-I234 HydrophobicContact CG1-CD1 3.54Å; V214-I234 HydrophobicContact CG1-CG1 3.92Å |
| 215 | L | 93.9 | Very high | 93 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | -179.6 | -69.9 | 178 | 0 | 0 | 0 | 112 | L211 S212 Q217 V218 V219 M231 I234 F250 | L211-L215 HydrophobicContact CD1-CD1 3.73Å; L211-L215 HydrophobicContact CD1-CD2 4.25Å; L211-L215 HydrophobicContact CD1-CG 3.74Å; L211-L215 HydrophobicContact CD2-CD1 4.18Å; L211-L215 HydrophobicContact CG-CD1 3.63Å; L211-L215 HydrophobicContact CG-CG 4.04Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 VanDerWaalsContact O-CG 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.26Å; L211-L215 PolarHBondContact O-N 3.29Å; S212-L215 PolarHBondContact O-N 3.18Å; L215-Q217 VanDerWaalsContact C-N 3.3Å; L215-Q217 PolarHBondContact O-N 3.05Å; L215-V218 PolarHBondContact O-N 3.5Å; L215-V218 VanDerWaalsContact O-N 3.16Å; L215-V219 WeakPolarHBondContact O-CG2 3.44Å; L215-V219 PolarHBondContact O-N 3.41Å; L215-M231 HydrophobicContact CD2-CE 4.44Å; L215-M231 HydrophobicContact CD2-SD 3.93Å; L215-I234 HydrophobicContact CD2-CD1 4.26Å; L215-F250 HydrophobicContact CD2-CD2 4.48Å |
| 216 | E | 92.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 46 Ų | 46 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.2 | -45.2 | 173.1 | -177.1 | -176.4 | -178.3 | 0 | 0 | 111.2 | S212 V214 N220 | S212-E216 VanDerWaalsContact O-CB 3.31Å; S212-E216 WeakPolarHBondContact O-CB 3.34Å; S212-E216 PolarHBondContact O-N 3.38Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 2.99Å; E216-N220 WeakPolarHBondContact CG-ND2 3.45Å; E216-N220 WeakPolarHBondContact O-CB 3.21Å; E216-N220 VanDerWaalsContact O-CG 3.23Å; E216-N220 PolarHBondContact O-N 3.06Å; E216-N220 PolarHBondContact O-ND2 2.69Å |
| 217 | Q | 92.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.9 | -37 | 177.3 | -60.7 | -51.6 | -55.5 | 0 | 0 | 112.3 | F155 A156 G213 V214 L215 C221 | F155-Q217 HydrophobicContact CD1-CG 4.23Å; F155-Q217 HydrophobicContact CE1-CB 3.81Å; F155-Q217 HydrophobicContact CE1-CG 3.98Å; A156-Q217 HydrophobicContact CB-CG 3.93Å; G213-Q217 WeakPolarHBondContact O-CG 3.23Å; G213-Q217 PolarHBondContact O-N 2.86Å; V214-Q217 PolarHBondContact O-N 3.44Å; V214-Q217 VanDerWaalsContact O-N 3.1Å; L215-Q217 VanDerWaalsContact C-N 3.3Å; L215-Q217 PolarHBondContact O-N 3.05Å; Q217-C221 WeakPolarHBondContact O-CB 3.33Å; Q217-C221 PolarHBondContact O-N 3Å |
| 218 | V | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -49.5 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | V214 L215 C221 Q227 L230 M231 L257 | V214-V218 HydrophobicContact CG1-CG2 4.37Å; V214-V218 WeakPolarHBondContact O-CG2 3.35Å; V214-V218 PolarHBondContact O-N 3.35Å; L215-V218 PolarHBondContact O-N 3.5Å; L215-V218 VanDerWaalsContact O-N 3.16Å; V218-C221 PolarHBondContact O-SG 3.47Å; V218-Q227 HydrophobicContact CG1-CB 4.35Å; V218-Q227 HydrophobicContact CG1-CG 4Å; V218-Q227 VanDerWaalsContact O-CG 3.3Å; V218-Q227 WeakPolarHBondContact O-CG 3.19Å; V218-Q227 PolarHBondContact O-NE2 3.14Å; V218-L230 HydrophobicContact CG2-CB 3.84Å; V218-L230 HydrophobicContact CG2-CD1 4.07Å; V218-M231 HydrophobicContact CG1-CG 3.86Å; V218-M231 HydrophobicContact CG1-SD 3.82Å; V218-L257 HydrophobicContact CG1-CD2 3.69Å |
| 219 | V | 91.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | -179.5 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | L215 C221 E256 | L215-V219 WeakPolarHBondContact O-CG2 3.44Å; L215-V219 PolarHBondContact O-N 3.41Å; V219-C221 PolarHBondContact O-N 3.09Å; V219-E256 HydrophobicContact CG1-CB 4.11Å; V219-E256 HydrophobicContact CG2-CB 4.23Å |
| 220 | N | 92.3 | Very high | 93.7 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.9 | -20.8 | -176.6 | -71.7 | -36.1 | 0 | 0 | 0 | 114.6 | E216 R222 | E216-N220 WeakPolarHBondContact CG-ND2 3.45Å; E216-N220 WeakPolarHBondContact O-CB 3.21Å; E216-N220 VanDerWaalsContact O-CG 3.23Å; E216-N220 PolarHBondContact O-N 3.06Å; E216-N220 PolarHBondContact O-ND2 2.69Å; N220-R222 VanDerWaalsContact C-N 3.28Å; N220-R222 PolarHBondContact O-N 3.39Å |
| 221 | C | 91.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 37 Ų | 37 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.1 | -23.1 | -175.9 | 73.8 | 0 | 0 | 0 | 0 | 114.2 | V163 Q217 V218 V219 D223 Q227 | V163-C221 HydrophobicContact CG2-CB 4.17Å; Q217-C221 WeakPolarHBondContact O-CB 3.33Å; Q217-C221 PolarHBondContact O-N 3Å; V218-C221 PolarHBondContact O-SG 3.47Å; V219-C221 PolarHBondContact O-N 3.09Å; C221-D223 PolarHBondContact O-N 3.29Å; C221-Q227 VanDerWaalsContact SG-CG 3.59Å |
| 222 | R | 90.7 | Very high | 93.7 | Very high | 205 Ų | 205 | 39.6 Ų | 39.6 | 77% | 0.774 | 20% | 0.201 | S | C | * | . | trans | 48.5 | 28.5 | 176.9 | -60.8 | -174.1 | 178.2 | -168.3 | -0.6 | 114.9 | N220 | N220-R222 VanDerWaalsContact C-N 3.28Å; N220-R222 PolarHBondContact O-N 3.39Å | ||
| 223 | D | 93.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | trans | -117.8 | 122 | 177.6 | 176.8 | 91.1 | 0 | 0 | 0 | 109 | V163 R181 C221 L225 A226 Q227 | V163-D223 HydrophobicContact CG1-CB 4.05Å; V163-D223 HydrophobicContact CG2-CB 3.92Å; R181-D223 IonicContact CZ-OD1 2.64Å; R181-D223 IonicContact CZ-OD2 3.63Å; R181-D223 IonicContact NH1-OD1 2.62Å; R181-D223 PolarHBondContact NH1-OD1 3.07Å; R181-D223 IonicContact NH1-OD2 3.73Å; R181-D223 PolarHBondContact NH1-OD2 3.25Å; R181-D223 VanDerWaalsContact NH2-CG 3.33Å; R181-D223 IonicContact NH2-OD1 2.66Å; R181-D223 IonicContact NH2-OD2 3.77Å; R181-D223 PolarHBondContact NH2-OD2 2.81Å; C221-D223 PolarHBondContact O-N 3.29Å; D223-L225 PolarHBondContact O-N 3.15Å; D223-L225 PolarHBondContact OD2-N 3.14Å; D223-A226 HydrophobicContact CB-CB 4.1Å; D223-A226 PolarHBondContact O-N 2.87Å; D223-A226 VanDerWaalsContact OD2-CB 3.31Å; D223-A226 WeakPolarHBondContact OD2-CB 3.25Å; D223-A226 PolarHBondContact OD2-N 3.12Å; D223-Q227 WeakPolarHBondContact O-CG 3.38Å; D223-Q227 PolarHBondContact O-N 3.18Å | ||
| 224 | S | 93.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 35.9 Ų | 35.9 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.5 | -42.4 | -171.7 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | A226 Q227 E228 | S224-A226 VanDerWaalsContact C-N 3.31Å; S224-A226 PolarHBondContact O-N 3.38Å; S224-Q227 PolarHBondContact O-N 2.8Å; S224-E228 WeakPolarHBondContact O-CB 3.34Å; S224-E228 PolarHBondContact O-N 3.14Å |
| 225 | L | 93.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 18% | 0.183 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.2 | -175.1 | 67.5 | 0 | 0 | 0 | 111.3 | W162 R181 D223 Y229 | W162-L225 HydrophobicContact CZ2-CD2 4.31Å; W162-L225 HydrophobicContact CZ2-CG 4.31Å; R181-L225 HydrophobicContact CB-CD2 3.8Å; D223-L225 PolarHBondContact O-N 3.15Å; D223-L225 PolarHBondContact OD2-N 3.14Å; L225-Y229 PolarHBondContact O-N 3.41Å |
| 226 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -45.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W162 V163 D223 S224 E228 L230 | W162-A226 HydrophobicContact CE3-CB 3.74Å; W162-A226 VanDerWaalsContact CH2-CA 3.47Å; W162-A226 HydrophobicContact CH2-CB 3.97Å; W162-A226 HydrophobicContact CZ3-CB 3.32Å; V163-A226 HydrophobicContact CG2-CB 4.1Å; D223-A226 HydrophobicContact CB-CB 4.1Å; D223-A226 PolarHBondContact O-N 2.87Å; D223-A226 VanDerWaalsContact OD2-CB 3.31Å; D223-A226 WeakPolarHBondContact OD2-CB 3.25Å; D223-A226 PolarHBondContact OD2-N 3.12Å; S224-A226 VanDerWaalsContact C-N 3.31Å; S224-A226 PolarHBondContact O-N 3.38Å; A226-E228 PolarHBondContact O-N 2.99Å; A226-L230 VanDerWaalsContact O-CB 3.25Å; A226-L230 WeakPolarHBondContact O-CB 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.43Å; A226-L230 PolarHBondContact O-N 3.49Å |
| 227 | Q | 95.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 178.8 | -73.8 | 179.3 | -16.5 | 0 | 0 | 112.2 | V218 C221 D223 S224 M231 L257 V261 | V218-Q227 HydrophobicContact CG1-CB 4.35Å; V218-Q227 HydrophobicContact CG1-CG 4Å; V218-Q227 VanDerWaalsContact O-CG 3.3Å; V218-Q227 WeakPolarHBondContact O-CG 3.19Å; V218-Q227 PolarHBondContact O-NE2 3.14Å; C221-Q227 VanDerWaalsContact SG-CG 3.59Å; D223-Q227 WeakPolarHBondContact O-CG 3.38Å; D223-Q227 PolarHBondContact O-N 3.18Å; S224-Q227 PolarHBondContact O-N 2.8Å; Q227-M231 WeakPolarHBondContact O-CB 3.36Å; Q227-M231 WeakPolarHBondContact O-CG 3.47Å; Q227-M231 PolarHBondContact O-N 2.77Å; Q227-L257 HydrophobicContact CB-CD2 4.22Å; Q227-L257 HydrophobicContact CG-CD2 4.25Å; Q227-V261 HydrophobicContact CB-CG2 3.78Å |
| 228 | E | 94.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.9 | -55.1 | 179.2 | -168.8 | 169.5 | 122.6 | 0 | 0 | 111.3 | S224 A226 L230 E232 V261 N262 | S224-E228 WeakPolarHBondContact O-CB 3.34Å; S224-E228 PolarHBondContact O-N 3.14Å; A226-E228 PolarHBondContact O-N 2.99Å; E228-L230 PolarHBondContact O-N 3.04Å; E228-E232 WeakPolarHBondContact O-CG 3.4Å; E228-E232 PolarHBondContact O-N 3.29Å; E228-V261 HydrophobicContact CB-CG1 4.1Å; E228-N262 WeakPolarHBondContact OE2-CB 3.4Å; E228-N262 PolarHBondContact OE2-N 3.01Å; E228-N262 VanDerWaalsContact OE2-N 3.16Å |
| 229 | Y | 95.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | -179.1 | 170.8 | -107.4 | 0 | 0 | 0 | 113.2 | W162 R185 I186 L225 E232 C233 | W162-Y229 AromaticContact CH2-CD1 3.9Å; W162-Y229 HydrophobicContact CH2-CD1 3.9Å; W162-Y229 HydrophobicContact CH2-CG 4.34Å; W162-Y229 HydrophobicContact CZ3-CD1 4.19Å; R185-Y229 HydrophobicContact CB-CD1 3.73Å; R185-Y229 HydrophobicContact CB-CD2 4.23Å; R185-Y229 HydrophobicContact CB-CE1 3.7Å; R185-Y229 HydrophobicContact CB-CE2 4.2Å; R185-Y229 HydrophobicContact CB-CG 3.98Å; R185-Y229 VanDerWaalsContact CD-CD2 3.46Å; R185-Y229 HydrophobicContact CG-CD1 4.18Å; R185-Y229 HydrophobicContact CG-CD2 3.79Å; R185-Y229 HydrophobicContact CG-CE1 4Å; R185-Y229 HydrophobicContact CG-CE2 3.58Å; R185-Y229 HydrophobicContact CG-CG 4.06Å; R185-Y229 WeakPolarHBondContact O-CE1 3.46Å; R185-Y229 PolarHBondContact O-OH 3.45Å; I186-Y229 WeakPolarHBondContact CA-OH 3.3Å; L225-Y229 PolarHBondContact O-N 3.41Å; Y229-E232 PolarHBondContact O-N 3.43Å; Y229-C233 WeakPolarHBondContact O-CB 3.41Å; Y229-C233 PolarHBondContact O-N 3.31Å |
| 230 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -39 | -176.1 | -70.8 | 174.4 | 0 | 0 | 0 | 111.8 | F155 W162 V188 L192 V218 A226 E228 C233 I234 | F155-L230 HydrophobicContact CE2-CD1 4.43Å; F155-L230 HydrophobicContact CE2-CD2 3.67Å; F155-L230 HydrophobicContact CZ-CD1 4.09Å; F155-L230 HydrophobicContact CZ-CD2 3.99Å; W162-L230 HydrophobicContact CZ3-CG 4.46Å; V188-L230 HydrophobicContact CG1-CD2 4.09Å; L192-L230 HydrophobicContact CD1-CD2 4.38Å; V218-L230 HydrophobicContact CG2-CB 3.84Å; V218-L230 HydrophobicContact CG2-CD1 4.07Å; A226-L230 VanDerWaalsContact O-CB 3.25Å; A226-L230 WeakPolarHBondContact O-CB 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.43Å; A226-L230 PolarHBondContact O-N 3.49Å; E228-L230 PolarHBondContact O-N 3.04Å; L230-C233 PolarHBondContact O-N 2.87Å; L230-I234 VanDerWaalsContact O-CG1 3.27Å; L230-I234 WeakPolarHBondContact O-CG1 3.15Å; L230-I234 PolarHBondContact O-N 3.47Å |
| 231 | M | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.8 | -70.3 | -65.2 | -77.6 | 0 | 0 | 111.8 | L215 V218 Q227 C233 I234 I235 F250 C254 L257 I266 | L215-M231 HydrophobicContact CD2-CE 4.44Å; L215-M231 HydrophobicContact CD2-SD 3.93Å; V218-M231 HydrophobicContact CG1-CG 3.86Å; V218-M231 HydrophobicContact CG1-SD 3.82Å; Q227-M231 WeakPolarHBondContact O-CB 3.36Å; Q227-M231 WeakPolarHBondContact O-CG 3.47Å; Q227-M231 PolarHBondContact O-N 2.77Å; M231-C233 VanDerWaalsContact C-N 3.33Å; M231-C233 PolarHBondContact O-N 3.16Å; M231-I234 PolarHBondContact O-N 2.98Å; M231-I234 HydrophobicContact SD-CD1 4.15Å; M231-I235 WeakPolarHBondContact O-CG1 3.17Å; M231-I235 PolarHBondContact O-N 3.06Å; M231-F250 HydrophobicContact CB-CZ 4.48Å; M231-F250 HydrophobicContact CE-CD1 4.33Å; M231-F250 HydrophobicContact CE-CD2 3.94Å; M231-F250 HydrophobicContact CE-CE1 3.88Å; M231-F250 HydrophobicContact CE-CE2 3.44Å; M231-F250 VanDerWaalsContact CE-CE2 3.44Å; M231-F250 HydrophobicContact CE-CG 4.36Å; M231-F250 HydrophobicContact CE-CZ 3.41Å; M231-F250 VanDerWaalsContact CE-CZ 3.41Å; M231-F250 HydrophobicContact SD-CE2 3.95Å; M231-F250 HydrophobicContact SD-CZ 4.27Å; M231-C254 WeakPolarHBondContact CE-SG 3.25Å; M231-L257 HydrophobicContact CE-CD1 4.4Å; M231-L257 HydrophobicContact CG-CD1 4.02Å; M231-L257 HydrophobicContact CG-CD2 4.24Å; M231-I266 HydrophobicContact CB-CD1 3.77Å; M231-I266 HydrophobicContact CB-CG1 4.28Å; M231-I266 HydrophobicContact CB-CG2 3.95Å; M231-I266 HydrophobicContact CG-CD1 4.34Å |
| 232 | E | 94.8 | Very high | 94.2 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 27% | 0.271 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 172.6 | -70.8 | -178.6 | 170.2 | 0 | 0 | 111.9 | E228 Y229 I234 I235 Q236 I266 | E228-E232 WeakPolarHBondContact O-CG 3.4Å; E228-E232 PolarHBondContact O-N 3.29Å; Y229-E232 PolarHBondContact O-N 3.43Å; E232-I234 VanDerWaalsContact C-N 3.35Å; E232-I234 PolarHBondContact O-N 3.34Å; E232-I235 WeakPolarHBondContact O-CB 3.47Å; E232-I235 PolarHBondContact O-N 3.49Å; E232-I235 VanDerWaalsContact O-N 3.16Å; E232-Q236 WeakPolarHBondContact O-CB 3.45Å; E232-Q236 PolarHBondContact O-N 3.49Å; E232-I266 HydrophobicContact CG-CG1 4.17Å |
| 233 | C | 95.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 179.2 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | L192 Y229 L230 M231 I235 Q236 V237 | L192-C233 HydrophobicContact CD1-CB 4.12Å; Y229-C233 WeakPolarHBondContact O-CB 3.41Å; Y229-C233 PolarHBondContact O-N 3.31Å; L230-C233 PolarHBondContact O-N 2.87Å; M231-C233 VanDerWaalsContact C-N 3.33Å; M231-C233 PolarHBondContact O-N 3.16Å; C233-I235 VanDerWaalsContact C-N 3.33Å; C233-I235 PolarHBondContact O-N 3.45Å; C233-Q236 PolarHBondContact O-N 3.2Å; C233-V237 WeakPolarHBondContact O-CB 3.26Å; C233-V237 WeakPolarHBondContact O-CG2 3.46Å; C233-V237 PolarHBondContact O-N 3.22Å |
| 234 | I | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 172.4 | -67.7 | 162.5 | 0 | 0 | 0 | 110.3 | L192 L211 V214 L215 L230 M231 E232 Q236 F238 H243 F250 | L192-I234 HydrophobicContact CD1-CG1 4.14Å; L211-I234 HydrophobicContact CD1-CG2 4.36Å; V214-I234 HydrophobicContact CG1-CD1 3.54Å; V214-I234 HydrophobicContact CG1-CG1 3.92Å; L215-I234 HydrophobicContact CD2-CD1 4.26Å; L230-I234 VanDerWaalsContact O-CG1 3.27Å; L230-I234 WeakPolarHBondContact O-CG1 3.15Å; L230-I234 PolarHBondContact O-N 3.47Å; M231-I234 PolarHBondContact O-N 2.98Å; M231-I234 HydrophobicContact SD-CD1 4.15Å; E232-I234 VanDerWaalsContact C-N 3.35Å; E232-I234 PolarHBondContact O-N 3.34Å; I234-Q236 VanDerWaalsContact C-N 3.32Å; I234-Q236 PolarHBondContact O-N 3.02Å; I234-F238 HydrophobicContact CB-CD2 4.49Å; I234-F238 HydrophobicContact CG2-CD2 4.07Å; I234-F238 WeakPolarHBondContact O-CD2 3.32Å; I234-F238 PolarHBondContact O-N 2.78Å; I234-H243 PolarHBondContact O-CE1 3.11Å; I234-H243 VanDerWaalsContact O-CE1 3.25Å; I234-H243 PolarHBondContact O-NE2 3.27Å; I234-F250 HydrophobicContact CB-CE2 4.22Å; I234-F250 HydrophobicContact CD1-CE2 4.45Å; I234-F250 HydrophobicContact CG2-CD2 4.27Å; I234-F250 HydrophobicContact CG2-CE2 3.85Å |
| 235 | I | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.6 | -62.4 | 163.2 | 0 | 0 | 0 | 110.6 | M231 E232 C233 H243 F250 I266 L270 R273 | M231-I235 WeakPolarHBondContact O-CG1 3.17Å; M231-I235 PolarHBondContact O-N 3.06Å; E232-I235 WeakPolarHBondContact O-CB 3.47Å; E232-I235 PolarHBondContact O-N 3.49Å; E232-I235 VanDerWaalsContact O-N 3.16Å; C233-I235 VanDerWaalsContact C-N 3.33Å; C233-I235 PolarHBondContact O-N 3.45Å; I235-H243 PolarHBondContact O-NE2 3.17Å; I235-F250 HydrophobicContact CD1-CE1 3.97Å; I235-F250 HydrophobicContact CD1-CZ 3.66Å; I235-F250 HydrophobicContact CG1-CE1 4.13Å; I235-F250 HydrophobicContact CG1-CE2 4.27Å; I235-F250 HydrophobicContact CG1-CZ 3.58Å; I235-I266 HydrophobicContact CD1-CG2 3.73Å; I235-I266 VanDerWaalsContact CD1-O 3.29Å; I235-I266 WeakPolarHBondContact CD1-O 3.43Å; I235-L270 HydrophobicContact CD1-CB 3.86Å; I235-L270 HydrophobicContact CG1-CB 4.33Å; I235-L270 HydrophobicContact CG1-CD1 4.32Å; I235-L270 HydrophobicContact CG2-CB 4.46Å; I235-L270 HydrophobicContact CG2-CD1 4.3Å; I235-R273 PolarHBondContact O-NH1 3.18Å |
| 236 | Q | 94.6 | Very high | 94 | Very high | 155 Ų | 155 | 28.9 Ų | 28.9 | 72% | 0.724 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -75.2 | -35.2 | -175.1 | -173 | 178.5 | 1 | 0 | 0 | 113.6 | E232 C233 I234 | E232-Q236 WeakPolarHBondContact O-CB 3.45Å; E232-Q236 PolarHBondContact O-N 3.49Å; C233-Q236 PolarHBondContact O-N 3.2Å; I234-Q236 VanDerWaalsContact C-N 3.32Å; I234-Q236 PolarHBondContact O-N 3.02Å |
| 237 | V | 95.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 29 Ų | 29 | 17% | 0.17 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -93.2 | -36.5 | -165 | 171.2 | 0 | 0 | 0 | 0 | 113.5 | L192 V193 S196 C233 | L192-V237 HydrophobicContact CB-CG1 4.39Å; L192-V237 WeakPolarHBondContact O-CG1 3.15Å; V193-V237 VanDerWaalsContact CA-CG1 3.5Å; V193-V237 HydrophobicContact CB-CG1 4.31Å; V193-V237 HydrophobicContact CG2-CG1 3.96Å; V193-V237 HydrophobicContact CG2-CG2 3.71Å; S196-V237 WeakPolarHBondContact CB-O 3.48Å; S196-V237 VanDerWaalsContact OG-CG1 3.22Å; S196-V237 WeakPolarHBondContact OG-CG1 3.45Å; S196-V237 PolarHBondContact OG-O 2.88Å; C233-V237 WeakPolarHBondContact O-CB 3.26Å; C233-V237 WeakPolarHBondContact O-CG2 3.46Å; C233-V237 PolarHBondContact O-N 3.22Å |
| 238 | F | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -88.1 | 149.6 | -178.8 | -68.1 | -70.6 | 0 | 0 | 0 | 111.6 | L192 L195 Y206 V210 I234 F242 H243 R273 | L192-F238 HydrophobicContact CB-CE2 4.44Å; L195-F238 HydrophobicContact CB-CE1 4.13Å; L195-F238 HydrophobicContact CB-CZ 4.04Å; Y206-F238 HydrophobicContact CD2-CD1 4.03Å; Y206-F238 HydrophobicContact CD2-CE1 4.09Å; Y206-F238 HydrophobicContact CD2-CG 4.49Å; Y206-F238 HydrophobicContact CE2-CB 4.25Å; Y206-F238 AromaticContact CE2-CD1 3.49Å; Y206-F238 HydrophobicContact CE2-CD1 3.49Å; Y206-F238 VanDerWaalsContact CE2-CD1 3.49Å; Y206-F238 AromaticContact CE2-CD2 3.79Å; Y206-F238 HydrophobicContact CE2-CD2 3.79Å; Y206-F238 AromaticContact CE2-CE1 3.67Å; Y206-F238 HydrophobicContact CE2-CE1 3.67Å; Y206-F238 AromaticContact CE2-CE2 3.95Å; Y206-F238 HydrophobicContact CE2-CE2 3.95Å; Y206-F238 AromaticContact CE2-CG 3.55Å; Y206-F238 HydrophobicContact CE2-CG 3.55Å; Y206-F238 AromaticContact CE2-CZ 3.89Å; Y206-F238 HydrophobicContact CE2-CZ 3.89Å; Y206-F238 AromaticContact CZ-CG 3.94Å; V210-F238 HydrophobicContact CG1-CE1 4.35Å; V210-F238 HydrophobicContact CG1-CZ 4.07Å; I234-F238 HydrophobicContact CB-CD2 4.49Å; I234-F238 HydrophobicContact CG2-CD2 4.07Å; I234-F238 WeakPolarHBondContact O-CD2 3.32Å; I234-F238 PolarHBondContact O-N 2.78Å; F238-F242 HydrophobicContact CB-CD2 4.3Å; F238-F242 HydrophobicContact CD1-CD2 4.27Å; F238-H243 PolarHBondContact O-NE2 2.86Å; F238-H243 VanDerWaalsContact O-NE2 3.16Å; F238-R273 PolarHBondContact O-NH1 2.93Å; F238-R273 PolarHBondContact O-NH2 3.35Å |
| 239 | P | 92.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 32 Ų | 32 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | trans | -67.2 | 160.3 | -177.9 | 28.9 | -36.7 | 0 | 0 | 0 | 113.4 | E241 F242 H243 | P239-E241 VanDerWaalsContact C-N 3.33Å; P239-E241 WeakPolarHBondContact CB-OE2 3.08Å; P239-E241 PolarHBondContact O-N 3.4Å; P239-F242 HydrophobicContact CG-CB 4.4Å; P239-F242 HydrophobicContact CG-CD1 3.89Å; P239-F242 HydrophobicContact CG-CD2 3.59Å; P239-F242 HydrophobicContact CG-CE1 3.96Å; P239-F242 HydrophobicContact CG-CE2 3.64Å; P239-F242 HydrophobicContact CG-CG 3.7Å; P239-F242 HydrophobicContact CG-CZ 3.82Å; P239-F242 WeakPolarHBondContact O-CB 3.24Å; P239-F242 PolarHBondContact O-N 3.13Å; P239-H243 PolarHBondContact O-CD2 3.34Å; P239-H243 VanDerWaalsContact O-CD2 3.24Å | ||
| 240 | D | 91.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 30.7 Ų | 30.7 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.6 | -33 | -174.5 | -63.9 | -69 | 0 | 0 | 0 | 112.7 | F242 H243 L244 R273 F277 | D240-F242 PolarHBondContact O-N 2.83Å; D240-H243 PolarHBondContact O-N 3.4Å; D240-H243 VanDerWaalsContact O-N 3.13Å; D240-L244 WeakPolarHBondContact O-CG 3.39Å; D240-L244 PolarHBondContact O-N 3.49Å; D240-R273 VanDerWaalsContact CG-CZ 3.46Å; D240-R273 WeakPolarHBondContact OD1-CD 3.29Å; D240-R273 WeakPolarHBondContact OD1-CG 3.13Å; D240-R273 IonicContact OD1-CZ 2.73Å; D240-R273 IonicContact OD1-NE 3.55Å; D240-R273 PolarHBondContact OD1-NE 3.24Å; D240-R273 VanDerWaalsContact OD1-NE 3.08Å; D240-R273 IonicContact OD1-NH1 2.82Å; D240-R273 PolarHBondContact OD1-NH1 3.37Å; D240-R273 IonicContact OD1-NH2 2.73Å; D240-R273 PolarHBondContact OD1-NH2 3.14Å; D240-R273 VanDerWaalsContact OD1-NH2 3.17Å; D240-R273 IonicContact OD2-CZ 3.85Å; D240-R273 IonicContact OD2-NE 2.87Å; D240-R273 IonicContact OD2-NH2 2.95Å; D240-R273 PolarHBondContact OD2-NH2 2.94Å; D240-F277 HydrophobicContact CB-CB 4.31Å; D240-F277 HydrophobicContact CB-CD1 4.37Å; D240-F277 HydrophobicContact CB-CD2 3.53Å; D240-F277 HydrophobicContact CB-CE2 3.82Å; D240-F277 HydrophobicContact CB-CG 3.82Å; D240-F277 HydrophobicContact CB-CZ 4.34Å |
| 241 | E | 90.1 | Very high | 93.2 | Very high | 76 Ų | 76 | 30.7 Ų | 30.7 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59 | -34.1 | 176 | -65.1 | 77.6 | -172.2 | 0 | 0 | 112 | P239 Q245 | P239-E241 VanDerWaalsContact C-N 3.33Å; P239-E241 WeakPolarHBondContact CB-OE2 3.08Å; P239-E241 PolarHBondContact O-N 3.4Å; E241-Q245 VanDerWaalsContact O-CG 3.29Å; E241-Q245 WeakPolarHBondContact O-CG 3.49Å |
| 242 | F | 93.4 | Very high | 93 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 11% | 0.114 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.8 | -45.1 | 177.5 | -68.5 | 4.1 | 0 | 0 | 0 | 110.1 | V201 V203 Y206 F238 P239 D240 L244 Q245 T246 | V201-F242 HydrophobicContact CG1-CE2 4.33Å; V201-F242 WeakPolarHBondContact O-CZ 3.49Å; V203-F242 HydrophobicContact CG2-CD1 3.47Å; V203-F242 VanDerWaalsContact CG2-CD1 3.47Å; V203-F242 HydrophobicContact CG2-CE1 3.74Å; Y206-F242 HydrophobicContact CD1-CB 3.7Å; Y206-F242 AromaticContact CD1-CD2 3.79Å; Y206-F242 HydrophobicContact CD1-CD2 3.79Å; Y206-F242 AromaticContact CD1-CG 3.87Å; Y206-F242 HydrophobicContact CD1-CG 3.87Å; Y206-F242 AromaticContact CD2-CD2 3.69Å; Y206-F242 HydrophobicContact CD2-CD2 3.69Å; Y206-F242 HydrophobicContact CD2-CE2 4.12Å; Y206-F242 HydrophobicContact CE1-CB 3.64Å; Y206-F242 HydrophobicContact CE1-CD2 4.14Å; Y206-F242 HydrophobicContact CE1-CG 4.22Å; Y206-F242 HydrophobicContact CE2-CD2 4.05Å; Y206-F242 HydrophobicContact CG-CB 4.34Å; Y206-F242 AromaticContact CG-CD2 3.53Å; Y206-F242 HydrophobicContact CG-CD2 3.53Å; Y206-F242 HydrophobicContact CG-CE2 4.05Å; Y206-F242 HydrophobicContact CG-CG 4.04Å; F238-F242 HydrophobicContact CB-CD2 4.3Å; F238-F242 HydrophobicContact CD1-CD2 4.27Å; P239-F242 HydrophobicContact CG-CB 4.4Å; P239-F242 HydrophobicContact CG-CD1 3.89Å; P239-F242 HydrophobicContact CG-CD2 3.59Å; P239-F242 HydrophobicContact CG-CE1 3.96Å; P239-F242 HydrophobicContact CG-CE2 3.64Å; P239-F242 HydrophobicContact CG-CG 3.7Å; P239-F242 HydrophobicContact CG-CZ 3.82Å; P239-F242 WeakPolarHBondContact O-CB 3.24Å; P239-F242 PolarHBondContact O-N 3.13Å; D240-F242 PolarHBondContact O-N 2.83Å; F242-L244 PolarHBondContact O-N 3.19Å; F242-Q245 PolarHBondContact O-N 3.06Å; F242-Q245 VanDerWaalsContact O-N 3.17Å; F242-T246 PolarHBondContact O-N 2.95Å; F242-T246 VanDerWaalsContact O-N 3.13Å; F242-T246 PolarHBondContact O-OG1 2.98Å |
| 243 | H | 93.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | -180 | -66.7 | -50.5 | 0 | 0 | 0 | 112.1 | I234 I235 F238 P239 D240 Q245 T246 L247 L270 R273 L274 | I234-H243 PolarHBondContact O-CE1 3.11Å; I234-H243 VanDerWaalsContact O-CE1 3.25Å; I234-H243 PolarHBondContact O-NE2 3.27Å; I235-H243 PolarHBondContact O-NE2 3.17Å; F238-H243 PolarHBondContact O-NE2 2.86Å; F238-H243 VanDerWaalsContact O-NE2 3.16Å; P239-H243 PolarHBondContact O-CD2 3.34Å; P239-H243 VanDerWaalsContact O-CD2 3.24Å; D240-H243 PolarHBondContact O-N 3.4Å; D240-H243 VanDerWaalsContact O-N 3.13Å; H243-Q245 PolarHBondContact O-N 3.47Å; H243-Q245 VanDerWaalsContact O-N 3.13Å; H243-T246 CarbonylContact O-C 3.48Å; H243-T246 PolarHBondContact O-N 3.2Å; H243-L247 VanDerWaalsContact O-CD2 3.23Å; H243-L247 WeakPolarHBondContact O-CD2 3.5Å; H243-L247 WeakPolarHBondContact O-CG 3.46Å; H243-L247 PolarHBondContact O-N 2.94Å; H243-L270 HydrophobicContact CB-CD1 4.21Å; H243-R273 PolarHBondContact CD2-NH1 3.12Å; H243-R273 PolarHBondContact NE2-NH1 3.5Å; H243-L274 HydrophobicContact CB-CD2 4.46Å |
| 244 | L | 90.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.5 | -39.6 | 177 | -73.5 | 174.8 | 0 | 0 | 0 | 112.3 | D240 F242 L274 F277 I290 L292 | D240-L244 WeakPolarHBondContact O-CG 3.39Å; D240-L244 PolarHBondContact O-N 3.49Å; F242-L244 PolarHBondContact O-N 3.19Å; L244-L274 HydrophobicContact CD2-CD2 3.89Å; L244-L274 HydrophobicContact CG-CD2 4.16Å; L244-F277 HydrophobicContact CD1-CD1 4.31Å; L244-F277 HydrophobicContact CD1-CE1 3.75Å; L244-I290 HydrophobicContact CB-CD1 3.93Å; L244-L292 HydrophobicContact CD2-CD1 4.28Å; L244-L292 HydrophobicContact CD2-CD2 3.72Å; L244-L292 HydrophobicContact CD2-CG 4.49Å |
| 245 | Q | 90.8 | Very high | 92.4 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 40% | 0.402 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -85.1 | -12.1 | -175.7 | -70.7 | -68 | -23.4 | 0 | 0 | 113.5 | V203 K207 E241 F242 H243 | V203-Q245 HydrophobicContact CG1-CB 4.35Å; V203-Q245 HydrophobicContact CG1-CG 4.34Å; K207-Q245 VanDerWaalsContact CE-CB 3.41Å; K207-Q245 VanDerWaalsContact CE-O 3.22Å; K207-Q245 WeakPolarHBondContact CE-O 3.27Å; E241-Q245 VanDerWaalsContact O-CG 3.29Å; E241-Q245 WeakPolarHBondContact O-CG 3.49Å; F242-Q245 PolarHBondContact O-N 3.06Å; F242-Q245 VanDerWaalsContact O-N 3.17Å; H243-Q245 PolarHBondContact O-N 3.47Å; H243-Q245 VanDerWaalsContact O-N 3.13Å |
| 246 | T | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -125.6 | 16.3 | -176.6 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | Y206 K207 L211 F242 H243 N248 P249 F250 | Y206-T246 HydrophobicContact CD1-CG2 4.2Å; Y206-T246 HydrophobicContact CE1-CG2 4.11Å; K207-T246 HydrophobicContact CB-CG2 4.5Å; K207-T246 HydrophobicContact CG-CG2 3.48Å; K207-T246 VanDerWaalsContact CG-CG2 3.48Å; L211-T246 HydrophobicContact CD2-CG2 3.52Å; F242-T246 PolarHBondContact O-N 2.95Å; F242-T246 VanDerWaalsContact O-N 3.13Å; F242-T246 PolarHBondContact O-OG1 2.98Å; H243-T246 CarbonylContact O-C 3.48Å; H243-T246 PolarHBondContact O-N 3.2Å; T246-N248 PolarHBondContact O-N 2.88Å; T246-P249 VanDerWaalsContact O-CD 3.31Å; T246-P249 WeakPolarHBondContact O-CD 3.3Å; T246-F250 WeakPolarHBondContact O-CB 3.16Å; T246-F250 PolarHBondContact O-N 3.49Å |
| 247 | L | 91.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.6 | -47.9 | -179.4 | -62.8 | 176.4 | 0 | 0 | 0 | 112.8 | H243 F250 L251 L270 L274 I290 L292 I295 F296 | H243-L247 VanDerWaalsContact O-CD2 3.23Å; H243-L247 WeakPolarHBondContact O-CD2 3.5Å; H243-L247 WeakPolarHBondContact O-CG 3.46Å; H243-L247 PolarHBondContact O-N 2.94Å; L247-F250 PolarHBondContact O-N 3.42Å; L247-L251 WeakPolarHBondContact O-CB 3.34Å; L247-L251 VanDerWaalsContact O-CG 3.23Å; L247-L251 WeakPolarHBondContact O-CG 3.23Å; L247-L251 PolarHBondContact O-N 2.87Å; L247-L270 HydrophobicContact CD2-CD2 4.16Å; L247-L274 HydrophobicContact CD2-CD1 3.86Å; L247-I290 HydrophobicContact CD1-CG2 4.35Å; L247-L292 HydrophobicContact CD1-CD2 3.32Å; L247-I295 HydrophobicContact CB-CG2 4.19Å; L247-F296 HydrophobicContact CD1-CE2 4.14Å; L247-F296 HydrophobicContact CD2-CE2 4.31Å; L247-F296 HydrophobicContact CD2-CZ 3.97Å |
| 248 | N | 91.1 | Very high | 92 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.5 | -52.7 | -177.6 | -77.6 | -69.2 | 0 | 0 | 0 | 112.5 | T246 F250 R252 Q299 | T246-N248 PolarHBondContact O-N 2.88Å; N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 PolarHBondContact O-N 2.87Å; N248-R252 WeakPolarHBondContact O-CB 3.37Å; N248-R252 VanDerWaalsContact O-CG 3.25Å; N248-R252 WeakPolarHBondContact O-CG 3.41Å; N248-R252 PolarHBondContact O-N 3.4Å; N248-Q299 PolarHBondContact OD1-NE2 3.04Å |
| 249 | P | 92.3 | Very high | 91.7 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.6 | -46.4 | 172.4 | -27.3 | 32.9 | 0 | 0 | 0 | 113.5 | T246 R252 S253 | T246-P249 VanDerWaalsContact O-CD 3.31Å; T246-P249 WeakPolarHBondContact O-CD 3.3Å; P249-R252 PolarHBondContact O-N 3.17Å; P249-S253 PolarHBondContact O-N 3.35Å; P249-S253 PolarHBondContact O-OG 2.84Å |
| 250 | F | 94 | Very high | 91.6 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | -177.4 | -175.3 | -93.1 | 0 | 0 | 0 | 112.3 | L215 M231 I234 I235 T246 L247 N248 R252 S253 C254 I266 L270 | L215-F250 HydrophobicContact CD2-CD2 4.48Å; M231-F250 HydrophobicContact CB-CZ 4.48Å; M231-F250 HydrophobicContact CE-CD1 4.33Å; M231-F250 HydrophobicContact CE-CD2 3.94Å; M231-F250 HydrophobicContact CE-CE1 3.88Å; M231-F250 HydrophobicContact CE-CE2 3.44Å; M231-F250 VanDerWaalsContact CE-CE2 3.44Å; M231-F250 HydrophobicContact CE-CG 4.36Å; M231-F250 HydrophobicContact CE-CZ 3.41Å; M231-F250 VanDerWaalsContact CE-CZ 3.41Å; M231-F250 HydrophobicContact SD-CE2 3.95Å; M231-F250 HydrophobicContact SD-CZ 4.27Å; I234-F250 HydrophobicContact CB-CE2 4.22Å; I234-F250 HydrophobicContact CD1-CE2 4.45Å; I234-F250 HydrophobicContact CG2-CD2 4.27Å; I234-F250 HydrophobicContact CG2-CE2 3.85Å; I235-F250 HydrophobicContact CD1-CE1 3.97Å; I235-F250 HydrophobicContact CD1-CZ 3.66Å; I235-F250 HydrophobicContact CG1-CE1 4.13Å; I235-F250 HydrophobicContact CG1-CE2 4.27Å; I235-F250 HydrophobicContact CG1-CZ 3.58Å; T246-F250 WeakPolarHBondContact O-CB 3.16Å; T246-F250 PolarHBondContact O-N 3.49Å; L247-F250 PolarHBondContact O-N 3.42Å; N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 PolarHBondContact O-N 2.87Å; F250-R252 PolarHBondContact O-N 2.92Å; F250-S253 WeakPolarHBondContact O-CB 3.29Å; F250-S253 PolarHBondContact O-N 3.4Å; F250-C254 PolarHBondContact O-N 3.13Å; F250-C254 PolarHBondContact O-SG 3.37Å; F250-I266 HydrophobicContact CE1-CG2 4.12Å; F250-I266 HydrophobicContact CZ-CG2 4.08Å; F250-L270 HydrophobicContact CD1-CD2 3.82Å; F250-L270 HydrophobicContact CE1-CD2 3.91Å |
| 251 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70 | -32 | -179.5 | -65.2 | 170.6 | 0 | 0 | 0 | 112.5 | L247 S253 C254 A255 I267 L270 I295 F296 Q299 | L247-L251 WeakPolarHBondContact O-CB 3.34Å; L247-L251 VanDerWaalsContact O-CG 3.23Å; L247-L251 WeakPolarHBondContact O-CG 3.23Å; L247-L251 PolarHBondContact O-N 2.87Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-C254 WeakPolarHBondContact O-CB 3.33Å; L251-C254 PolarHBondContact O-N 3.35Å; L251-A255 PolarHBondContact O-N 3.22Å; L251-I267 HydrophobicContact CD2-CG1 4.39Å; L251-L270 HydrophobicContact CD2-CD2 4.28Å; L251-I295 HydrophobicContact CD1-CG2 4.41Å; L251-F296 HydrophobicContact CD1-CD1 3.95Å; L251-F296 HydrophobicContact CD1-CE1 3.93Å; L251-F296 HydrophobicContact CD2-CE1 4.2Å; L251-Q299 HydrophobicContact CB-CB 3.84Å; L251-Q299 HydrophobicContact CB-CG 4.1Å; L251-Q299 HydrophobicContact CD1-CB 3.61Å; L251-Q299 HydrophobicContact CD1-CG 3.89Å; L251-Q299 HydrophobicContact CG-CB 4.3Å |
| 252 | R | 90.9 | Very high | 91.6 | Very high | 155 Ų | 155 | 44.5 Ų | 44.5 | 59% | 0.585 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62.6 | -42.5 | 169.6 | -74.4 | 176.5 | -169 | 174 | 3.4 | 111.3 | N248 P249 F250 C254 A255 E256 | N248-R252 WeakPolarHBondContact O-CB 3.37Å; N248-R252 VanDerWaalsContact O-CG 3.25Å; N248-R252 WeakPolarHBondContact O-CG 3.41Å; N248-R252 PolarHBondContact O-N 3.4Å; P249-R252 PolarHBondContact O-N 3.17Å; F250-R252 PolarHBondContact O-N 2.92Å; R252-C254 VanDerWaalsContact C-N 3.3Å; R252-C254 PolarHBondContact O-N 3.07Å; R252-A255 WeakPolarHBondContact O-CB 3.18Å; R252-A255 PolarHBondContact O-N 2.82Å; R252-A255 VanDerWaalsContact O-N 3.11Å; R252-E256 PolarHBondContact O-N 3.39Å |
| 253 | S | 92.1 | Very high | 91.5 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -32.6 | 174 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | P249 F250 L251 A255 E256 L257 | P249-S253 PolarHBondContact O-N 3.35Å; P249-S253 PolarHBondContact O-OG 2.84Å; F250-S253 WeakPolarHBondContact O-CB 3.29Å; F250-S253 PolarHBondContact O-N 3.4Å; L251-S253 VanDerWaalsContact C-N 3.34Å; S253-A255 VanDerWaalsContact C-N 3.26Å; S253-A255 PolarHBondContact O-N 3.4Å; S253-E256 PolarHBondContact O-N 2.85Å; S253-L257 WeakPolarHBondContact O-CG 3.46Å; S253-L257 PolarHBondContact O-N 3.47Å |
| 254 | C | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -36.1 | 170.8 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | M231 F250 L251 R252 E256 L257 V263 V303 R307 | M231-C254 WeakPolarHBondContact CE-SG 3.25Å; F250-C254 PolarHBondContact O-N 3.13Å; F250-C254 PolarHBondContact O-SG 3.37Å; L251-C254 WeakPolarHBondContact O-CB 3.33Å; L251-C254 PolarHBondContact O-N 3.35Å; R252-C254 VanDerWaalsContact C-N 3.3Å; R252-C254 PolarHBondContact O-N 3.07Å; C254-E256 VanDerWaalsContact C-N 3.28Å; C254-E256 PolarHBondContact O-N 3.44Å; C254-L257 PolarHBondContact O-N 3Å; C254-V263 HydrophobicContact CB-CG1 4.05Å; C254-V303 HydrophobicContact CB-CG2 4.28Å; C254-R307 PolarHBondContact O-NH2 3.21Å; C254-R307 VanDerWaalsContact O-NH2 3.09Å |
| 255 | A | 89.4 | Confident | 91.5 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.9 | -23.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L251 R252 S253 V303 S306 | L251-A255 PolarHBondContact O-N 3.22Å; R252-A255 WeakPolarHBondContact O-CB 3.18Å; R252-A255 PolarHBondContact O-N 2.82Å; R252-A255 VanDerWaalsContact O-N 3.11Å; S253-A255 VanDerWaalsContact C-N 3.26Å; S253-A255 PolarHBondContact O-N 3.4Å; A255-V303 HydrophobicContact CB-CG2 4.11Å; A255-S306 PolarHBondContact O-OG 2.95Å |
| 256 | E | 91.3 | Very high | 91.7 | Very high | 124 Ų | 124 | 43.6 Ų | 43.6 | 58% | 0.579 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -89.8 | -6.8 | 178.7 | -65 | -178.7 | 177.1 | 0 | 0 | 114 | V219 R252 S253 C254 | V219-E256 HydrophobicContact CG1-CB 4.11Å; V219-E256 HydrophobicContact CG2-CB 4.23Å; R252-E256 PolarHBondContact O-N 3.39Å; S253-E256 PolarHBondContact O-N 2.85Å; C254-E256 VanDerWaalsContact C-N 3.28Å; C254-E256 PolarHBondContact O-N 3.44Å |
| 257 | L | 92.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.8 | 155.5 | -179.9 | -52 | 176.1 | 0 | 0 | 0 | 111.9 | V218 Q227 M231 S253 C254 V261 V263 I266 R307 | V218-L257 HydrophobicContact CG1-CD2 3.69Å; Q227-L257 HydrophobicContact CB-CD2 4.22Å; Q227-L257 HydrophobicContact CG-CD2 4.25Å; M231-L257 HydrophobicContact CE-CD1 4.4Å; M231-L257 HydrophobicContact CG-CD1 4.02Å; M231-L257 HydrophobicContact CG-CD2 4.24Å; S253-L257 WeakPolarHBondContact O-CG 3.46Å; S253-L257 PolarHBondContact O-N 3.47Å; C254-L257 PolarHBondContact O-N 3Å; L257-V261 HydrophobicContact CB-CB 4.35Å; L257-V261 HydrophobicContact CB-CG2 4.27Å; L257-V261 HydrophobicContact CD1-CG1 4.05Å; L257-V263 HydrophobicContact CD1-CG2 4.32Å; L257-I266 HydrophobicContact CD1-CD1 3.95Å; L257-R307 PolarHBondContact O-NH2 2.95Å |
| 258 | H | 92.3 | Very high | 91.8 | Very high | 73 Ų | 73 | 45 Ų | 45 | 34% | 0.338 | 22% | 0.22 | S | C | . | . | trans | -55.3 | 144.4 | 177.5 | -169.9 | -80.2 | 0 | 0 | 0 | 111.9 | H260 V261 R307 | H258-H260 VanDerWaalsContact C-N 3.28Å; H258-H260 AromaticContact CE1-CD2 3.4Å; H258-H260 PolarHBondContact CE1-CD2 3.34Å; H258-H260 VanDerWaalsContact CE1-CD2 3.4Å; H258-H260 AromaticContact ND1-CD2 3.86Å; H258-H260 PolarHBondContact ND1-N 3.37Å; H258-H260 PolarHBondContact O-N 2.8Å; H258-V261 HydrophobicContact CB-CG2 4.1Å; H258-V261 WeakPolarHBondContact O-CB 3.16Å; H258-V261 WeakPolarHBondContact O-CG2 3.31Å; H258-V261 PolarHBondContact O-N 2.91Å; H258-R307 PolarHBondContact O-NH1 2.86Å | ||
| 259 | Q | 90 | Very high | 91.9 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.2 | -171.4 | -66.9 | -64.7 | -31.5 | 0 | 0 | 113.6 | V261 S306 R307 | Q259-V261 VanDerWaalsContact C-N 3.29Å; Q259-V261 PolarHBondContact O-N 3.43Å; Q259-S306 PolarHBondContact NE2-O 3.18Å; Q259-R307 VanDerWaalsContact CA-NH1 3.26Å; Q259-R307 PolarHBondContact O-NH1 2.84Å; Q259-R307 VanDerWaalsContact O-NH1 3.15Å |
| 260 | H | 90.1 | Very high | 92 | Very high | 152 Ų | 152 | 41.4 Ų | 41.4 | 70% | 0.704 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.5 | 178 | -60.2 | -46.2 | 0 | 0 | 0 | 116.2 | H258 | H258-H260 VanDerWaalsContact C-N 3.28Å; H258-H260 AromaticContact CE1-CD2 3.4Å; H258-H260 PolarHBondContact CE1-CD2 3.34Å; H258-H260 VanDerWaalsContact CE1-CD2 3.4Å; H258-H260 AromaticContact ND1-CD2 3.86Å; H258-H260 PolarHBondContact ND1-N 3.37Å; H258-H260 PolarHBondContact O-N 2.8Å |
| 261 | V | 92.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.1 | 134.5 | 176.2 | 176 | 0 | 0 | 0 | 0 | 109.7 | Q227 E228 L257 H258 Q259 V263 I266 | Q227-V261 HydrophobicContact CB-CG2 3.78Å; E228-V261 HydrophobicContact CB-CG1 4.1Å; L257-V261 HydrophobicContact CB-CB 4.35Å; L257-V261 HydrophobicContact CB-CG2 4.27Å; L257-V261 HydrophobicContact CD1-CG1 4.05Å; H258-V261 HydrophobicContact CB-CG2 4.1Å; H258-V261 WeakPolarHBondContact O-CB 3.16Å; H258-V261 WeakPolarHBondContact O-CG2 3.31Å; H258-V261 PolarHBondContact O-N 2.91Å; Q259-V261 VanDerWaalsContact C-N 3.29Å; Q259-V261 PolarHBondContact O-N 3.43Å; V261-V263 VanDerWaalsContact C-N 3.28Å; V261-V263 HydrophobicContact CB-CG2 4.35Å; V261-V263 HydrophobicContact CG1-CG2 4.16Å; V261-V263 PolarHBondContact O-N 3.35Å; V261-I266 HydrophobicContact CG1-CD1 3.82Å |
| 262 | N | 90.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | trans | -76.4 | 80.1 | 173.6 | -167.6 | -24.7 | 0 | 0 | 0 | 111.2 | E228 K264 N265 | E228-N262 WeakPolarHBondContact OE2-CB 3.4Å; E228-N262 PolarHBondContact OE2-N 3.01Å; E228-N262 VanDerWaalsContact OE2-N 3.16Å; N262-K264 PolarHBondContact O-N 3.25Å; N262-K264 WeakPolarHBondContact OD1-CB 3.23Å; N262-K264 PolarHBondContact OD1-N 3.11Å; N262-N265 PolarHBondContact ND2-ND2 3.42Å; N262-N265 PolarHBondContact O-N 3.47Å; N262-N265 PolarHBondContact OD1-N 3.46Å | ||
| 263 | V | 91.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -24.9 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | C254 L257 V261 N265 I266 I267 V303 R307 | C254-V263 HydrophobicContact CB-CG1 4.05Å; L257-V263 HydrophobicContact CD1-CG2 4.32Å; V261-V263 VanDerWaalsContact C-N 3.28Å; V261-V263 HydrophobicContact CB-CG2 4.35Å; V261-V263 HydrophobicContact CG1-CG2 4.16Å; V261-V263 PolarHBondContact O-N 3.35Å; V263-N265 PolarHBondContact O-N 3.22Å; V263-I266 PolarHBondContact O-N 3.31Å; V263-I267 HydrophobicContact CG1-CD1 3.74Å; V263-I267 HydrophobicContact CG1-CG1 4.06Å; V263-I267 WeakPolarHBondContact O-CG1 3.42Å; V263-I267 PolarHBondContact O-N 3.4Å; V263-V303 HydrophobicContact CG1-CG1 3.76Å; V263-R307 VanDerWaalsContact CG2-NH2 3.31Å |
| 264 | K | 91.2 | Very high | 91.7 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.9 | -53.1 | 175.6 | 174.2 | -169.8 | 69.6 | -175.8 | 0 | 110.7 | N262 I266 I267 I268 D314 L318 | N262-K264 PolarHBondContact O-N 3.25Å; N262-K264 WeakPolarHBondContact OD1-CB 3.23Å; N262-K264 PolarHBondContact OD1-N 3.11Å; K264-I266 VanDerWaalsContact C-N 3.28Å; K264-I266 PolarHBondContact O-N 3.06Å; K264-I267 PolarHBondContact O-N 3.09Å; K264-I268 HydrophobicContact CD-CD1 4.08Å; K264-I268 HydrophobicContact CG-CD1 3.55Å; K264-I268 HydrophobicContact CG-CG1 4.24Å; K264-I268 WeakPolarHBondContact O-CB 3.36Å; K264-I268 WeakPolarHBondContact O-CG1 3.3Å; K264-I268 PolarHBondContact O-N 2.83Å; K264-D314 HydrophobicContact CB-CB 4.49Å; K264-D314 HydrophobicContact CD-CB 4.02Å; K264-D314 WeakPolarHBondContact CD-OD1 3.43Å; K264-D314 WeakPolarHBondContact CE-OD1 3.33Å; K264-D314 IonicContact NZ-OD1 2.81Å; K264-D314 PolarHBondContact NZ-OD1 3.09Å; K264-L318 HydrophobicContact CG-CD2 4.4Å; K264-L318 HydrophobicContact CG-CG 4.49Å |
| 265 | N | 92.5 | Very high | 91.5 | Very high | 64 Ų | 64 | 39 Ų | 39 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.1 | -39.1 | -176.8 | -69.5 | -4 | 0 | 0 | 0 | 111.9 | N262 V263 A269 | N262-N265 PolarHBondContact ND2-ND2 3.42Å; N262-N265 PolarHBondContact O-N 3.47Å; N262-N265 PolarHBondContact OD1-N 3.46Å; V263-N265 PolarHBondContact O-N 3.22Å; N265-A269 VanDerWaalsContact O-CB 3.23Å; N265-A269 WeakPolarHBondContact O-CB 3.33Å; N265-A269 PolarHBondContact O-N 2.83Å |
| 266 | I | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 177.8 | -58.5 | 170.2 | 0 | 0 | 0 | 110.8 | M231 E232 I235 F250 L257 V261 V263 K264 L270 | M231-I266 HydrophobicContact CB-CD1 3.77Å; M231-I266 HydrophobicContact CB-CG1 4.28Å; M231-I266 HydrophobicContact CB-CG2 3.95Å; M231-I266 HydrophobicContact CG-CD1 4.34Å; E232-I266 HydrophobicContact CG-CG1 4.17Å; I235-I266 HydrophobicContact CD1-CG2 3.73Å; I235-I266 VanDerWaalsContact CD1-O 3.29Å; I235-I266 WeakPolarHBondContact CD1-O 3.43Å; F250-I266 HydrophobicContact CE1-CG2 4.12Å; F250-I266 HydrophobicContact CZ-CG2 4.08Å; L257-I266 HydrophobicContact CD1-CD1 3.95Å; V261-I266 HydrophobicContact CG1-CD1 3.82Å; V263-I266 PolarHBondContact O-N 3.31Å; K264-I266 VanDerWaalsContact C-N 3.28Å; K264-I266 PolarHBondContact O-N 3.06Å; I266-L270 PolarHBondContact O-N 3.47Å; I266-L270 VanDerWaalsContact O-N 3.11Å |
| 267 | I | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | -178.2 | -65.9 | 174.7 | 0 | 0 | 0 | 110.8 | L251 V263 K264 A269 L270 I271 V300 V303 L318 | L251-I267 HydrophobicContact CD2-CG1 4.39Å; V263-I267 HydrophobicContact CG1-CD1 3.74Å; V263-I267 HydrophobicContact CG1-CG1 4.06Å; V263-I267 WeakPolarHBondContact O-CG1 3.42Å; V263-I267 PolarHBondContact O-N 3.4Å; K264-I267 PolarHBondContact O-N 3.09Å; I267-A269 PolarHBondContact O-N 3.12Å; I267-L270 PolarHBondContact O-N 3.39Å; I267-I271 HydrophobicContact CG2-CD1 3.77Å; I267-I271 HydrophobicContact CG2-CG1 4.37Å; I267-I271 WeakPolarHBondContact O-CG1 3.34Å; I267-I271 PolarHBondContact O-N 2.84Å; I267-V300 HydrophobicContact CD1-CG2 4.48Å; I267-V300 HydrophobicContact CG2-CG2 4.02Å; I267-V303 HydrophobicContact CD1-CB 4.44Å; I267-V303 HydrophobicContact CD1-CG1 4.04Å; I267-V303 HydrophobicContact CD1-CG2 4.47Å; I267-L318 HydrophobicContact CB-CD2 3.83Å; I267-L318 HydrophobicContact CD1-CD2 4.31Å; I267-L318 HydrophobicContact CG2-CD2 3.73Å |
| 268 | I | 92.9 | Very high | 90.8 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 18% | 0.179 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.2 | -67.8 | 178.1 | 0 | 0 | 0 | 110.3 | K264 L270 I271 D272 L318 | K264-I268 HydrophobicContact CD-CD1 4.08Å; K264-I268 HydrophobicContact CG-CD1 3.55Å; K264-I268 HydrophobicContact CG-CG1 4.24Å; K264-I268 WeakPolarHBondContact O-CB 3.36Å; K264-I268 WeakPolarHBondContact O-CG1 3.3Å; K264-I268 PolarHBondContact O-N 2.83Å; I268-L270 VanDerWaalsContact C-N 3.29Å; I268-L270 PolarHBondContact O-N 3.31Å; I268-I271 PolarHBondContact O-N 3.44Å; I268-D272 WeakPolarHBondContact CG2-OD2 3.21Å; I268-D272 WeakPolarHBondContact O-CB 3.24Å; I268-D272 PolarHBondContact O-N 3.23Å; I268-L318 HydrophobicContact CG1-CD2 4.33Å |
| 269 | A | 93.8 | Very high | 90.3 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N265 I267 R273 | N265-A269 VanDerWaalsContact O-CB 3.23Å; N265-A269 WeakPolarHBondContact O-CB 3.33Å; N265-A269 PolarHBondContact O-N 2.83Å; I267-A269 PolarHBondContact O-N 3.12Å; A269-R273 VanDerWaalsContact O-CB 3.28Å; A269-R273 WeakPolarHBondContact O-CB 3.13Å; A269-R273 PolarHBondContact O-N 3.22Å; A269-R273 VanDerWaalsContact O-N 3.13Å |
| 270 | L | 94 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | 175.2 | 179.5 | 60.3 | 0 | 0 | 0 | 111.7 | I235 H243 L247 F250 L251 I266 I267 I268 R273 L274 F296 | I235-L270 HydrophobicContact CD1-CB 3.86Å; I235-L270 HydrophobicContact CG1-CB 4.33Å; I235-L270 HydrophobicContact CG1-CD1 4.32Å; I235-L270 HydrophobicContact CG2-CB 4.46Å; I235-L270 HydrophobicContact CG2-CD1 4.3Å; H243-L270 HydrophobicContact CB-CD1 4.21Å; L247-L270 HydrophobicContact CD2-CD2 4.16Å; F250-L270 HydrophobicContact CD1-CD2 3.82Å; F250-L270 HydrophobicContact CE1-CD2 3.91Å; L251-L270 HydrophobicContact CD2-CD2 4.28Å; I266-L270 PolarHBondContact O-N 3.47Å; I266-L270 VanDerWaalsContact O-N 3.11Å; I267-L270 PolarHBondContact O-N 3.39Å; I268-L270 VanDerWaalsContact C-N 3.29Å; I268-L270 PolarHBondContact O-N 3.31Å; L270-R273 PolarHBondContact O-N 3.25Å; L270-L274 HydrophobicContact CD1-CD1 4.15Å; L270-L274 HydrophobicContact CD1-CG 4.33Å; L270-L274 HydrophobicContact CG-CD1 4.22Å; L270-L274 WeakPolarHBondContact O-CG 3.21Å; L270-L274 PolarHBondContact O-N 2.75Å; L270-F296 HydrophobicContact CD2-CE1 3.94Å; L270-F296 HydrophobicContact CD2-CZ 3.91Å; L270-F296 HydrophobicContact CG-CE1 4.32Å; L270-F296 HydrophobicContact CG-CZ 4.01Å |
| 271 | I | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 180 | -74.1 | 173.4 | 0 | 0 | 0 | 110.9 | I267 I268 R273 L274 A275 F296 S321 L322 L325 | I267-I271 HydrophobicContact CG2-CD1 3.77Å; I267-I271 HydrophobicContact CG2-CG1 4.37Å; I267-I271 WeakPolarHBondContact O-CG1 3.34Å; I267-I271 PolarHBondContact O-N 2.84Å; I268-I271 PolarHBondContact O-N 3.44Å; I271-R273 VanDerWaalsContact C-N 3.27Å; I271-R273 PolarHBondContact O-N 3.17Å; I271-L274 PolarHBondContact O-N 3.41Å; I271-A275 WeakPolarHBondContact O-CB 3.32Å; I271-A275 PolarHBondContact O-N 3.39Å; I271-F296 HydrophobicContact CD1-CD1 3.97Å; I271-F296 HydrophobicContact CD1-CE1 4.23Å; I271-F296 HydrophobicContact CD1-CG 4.45Å; I271-F296 HydrophobicContact CG1-CD1 3.87Å; I271-F296 HydrophobicContact CG1-CE1 3.66Å; I271-F296 HydrophobicContact CG1-CE2 4.45Å; I271-F296 HydrophobicContact CG1-CG 4.36Å; I271-F296 HydrophobicContact CG1-CZ 3.99Å; I271-S321 WeakPolarHBondContact CD1-OG 3.3Å; I271-L322 HydrophobicContact CD1-CD2 4.21Å; I271-L325 HydrophobicContact CG2-CB 3.84Å; I271-L325 HydrophobicContact CG2-CD1 4.13Å; I271-L325 HydrophobicContact CG2-CD2 4.48Å; I271-L325 HydrophobicContact CG2-CG 4.36Å |
| 272 | D | 90.1 | Very high | 88.6 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | -179.6 | -77.4 | -22.3 | 0 | 0 | 0 | 111 | I268 A275 L276 | I268-D272 WeakPolarHBondContact CG2-OD2 3.21Å; I268-D272 WeakPolarHBondContact O-CB 3.24Å; I268-D272 PolarHBondContact O-N 3.23Å; D272-A275 PolarHBondContact O-N 3.21Å; D272-L276 VanDerWaalsContact O-CG 3.32Å; D272-L276 WeakPolarHBondContact O-CG 3.42Å; D272-L276 PolarHBondContact O-N 3.26Å |
| 273 | R | 90.9 | Very high | 87.6 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 21% | 0.211 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 177 | -166.1 | 178.6 | 178.3 | -130.5 | -18.4 | 112.2 | I235 F238 D240 H243 A269 L270 I271 A275 L276 F277 | I235-R273 PolarHBondContact O-NH1 3.18Å; F238-R273 PolarHBondContact O-NH1 2.93Å; F238-R273 PolarHBondContact O-NH2 3.35Å; D240-R273 VanDerWaalsContact CG-CZ 3.46Å; D240-R273 WeakPolarHBondContact OD1-CD 3.29Å; D240-R273 WeakPolarHBondContact OD1-CG 3.13Å; D240-R273 IonicContact OD1-CZ 2.73Å; D240-R273 IonicContact OD1-NE 3.55Å; D240-R273 PolarHBondContact OD1-NE 3.24Å; D240-R273 VanDerWaalsContact OD1-NE 3.08Å; D240-R273 IonicContact OD1-NH1 2.82Å; D240-R273 PolarHBondContact OD1-NH1 3.37Å; D240-R273 IonicContact OD1-NH2 2.73Å; D240-R273 PolarHBondContact OD1-NH2 3.14Å; D240-R273 VanDerWaalsContact OD1-NH2 3.17Å; D240-R273 IonicContact OD2-CZ 3.85Å; D240-R273 IonicContact OD2-NE 2.87Å; D240-R273 IonicContact OD2-NH2 2.95Å; D240-R273 PolarHBondContact OD2-NH2 2.94Å; H243-R273 PolarHBondContact CD2-NH1 3.12Å; H243-R273 PolarHBondContact NE2-NH1 3.5Å; A269-R273 VanDerWaalsContact O-CB 3.28Å; A269-R273 WeakPolarHBondContact O-CB 3.13Å; A269-R273 PolarHBondContact O-N 3.22Å; A269-R273 VanDerWaalsContact O-N 3.13Å; L270-R273 PolarHBondContact O-N 3.25Å; I271-R273 VanDerWaalsContact C-N 3.27Å; I271-R273 PolarHBondContact O-N 3.17Å; R273-A275 VanDerWaalsContact C-N 3.33Å; R273-A275 PolarHBondContact O-N 3.25Å; R273-L276 WeakPolarHBondContact O-CB 3.35Å; R273-L276 PolarHBondContact O-N 3.48Å; R273-F277 PolarHBondContact O-N 2.73Å |
| 274 | L | 89.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 176.4 | -66 | 174.8 | 0 | 0 | 0 | 112.3 | H243 L244 L247 L270 I271 L276 F277 A278 F296 | H243-L274 HydrophobicContact CB-CD2 4.46Å; L244-L274 HydrophobicContact CD2-CD2 3.89Å; L244-L274 HydrophobicContact CG-CD2 4.16Å; L247-L274 HydrophobicContact CD2-CD1 3.86Å; L270-L274 HydrophobicContact CD1-CD1 4.15Å; L270-L274 HydrophobicContact CD1-CG 4.33Å; L270-L274 HydrophobicContact CG-CD1 4.22Å; L270-L274 WeakPolarHBondContact O-CG 3.21Å; L270-L274 PolarHBondContact O-N 2.75Å; I271-L274 PolarHBondContact O-N 3.41Å; L274-L276 VanDerWaalsContact C-N 3.35Å; L274-F277 WeakPolarHBondContact O-CB 3.39Å; L274-F277 PolarHBondContact O-N 3.09Å; L274-A278 PolarHBondContact O-N 2.92Å; L274-F296 HydrophobicContact CD1-CE2 3.67Å; L274-F296 HydrophobicContact CD1-CZ 3.66Å |
| 275 | A | 87 | Confident | 86.3 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I271 D272 R273 A278 H279 K328 | I271-A275 WeakPolarHBondContact O-CB 3.32Å; I271-A275 PolarHBondContact O-N 3.39Å; D272-A275 PolarHBondContact O-N 3.21Å; R273-A275 VanDerWaalsContact C-N 3.33Å; R273-A275 PolarHBondContact O-N 3.25Å; A275-A278 WeakPolarHBondContact O-CB 3.32Å; A275-A278 PolarHBondContact O-N 3.5Å; A275-H279 PolarHBondContact O-N 2.91Å; A275-H279 PolarHBondContact O-ND1 3.33Å; A275-K328 HydrophobicContact CB-CB 4.36Å; A275-K328 HydrophobicContact CB-CD 3.85Å |
| 276 | L | 87.6 | Confident | 85.9 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 65% | 0.654 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 171.2 | -70.6 | 171.8 | 0 | 0 | 0 | 111.7 | D272 R273 L274 A278 H279 R280 | D272-L276 VanDerWaalsContact O-CG 3.32Å; D272-L276 WeakPolarHBondContact O-CG 3.42Å; D272-L276 PolarHBondContact O-N 3.26Å; R273-L276 WeakPolarHBondContact O-CB 3.35Å; R273-L276 PolarHBondContact O-N 3.48Å; L274-L276 VanDerWaalsContact C-N 3.35Å; L276-A278 VanDerWaalsContact C-N 3.3Å; L276-A278 PolarHBondContact O-N 3.3Å; L276-H279 PolarHBondContact O-N 3.5Å; L276-R280 PolarHBondContact O-N 3.46Å |
| 277 | F | 87.5 | Confident | 85.4 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 174.8 | -175.9 | -103.6 | 0 | 0 | 0 | 112.1 | D240 L244 R273 L274 H279 R280 P284 G285 I286 | D240-F277 HydrophobicContact CB-CB 4.31Å; D240-F277 HydrophobicContact CB-CD1 4.37Å; D240-F277 HydrophobicContact CB-CD2 3.53Å; D240-F277 HydrophobicContact CB-CE2 3.82Å; D240-F277 HydrophobicContact CB-CG 3.82Å; D240-F277 HydrophobicContact CB-CZ 4.34Å; L244-F277 HydrophobicContact CD1-CD1 4.31Å; L244-F277 HydrophobicContact CD1-CE1 3.75Å; R273-F277 PolarHBondContact O-N 2.73Å; L274-F277 WeakPolarHBondContact O-CB 3.39Å; L274-F277 PolarHBondContact O-N 3.09Å; F277-H279 VanDerWaalsContact C-N 3.25Å; F277-H279 PolarHBondContact O-N 2.72Å; F277-R280 WeakPolarHBondContact O-CB 3.14Å; F277-R280 PolarHBondContact O-N 3.34Å; F277-P284 HydrophobicContact CZ-CG 4.01Å; F277-G285 VanDerWaalsContact CE1-O 3.24Å; F277-G285 WeakPolarHBondContact CE1-O 3.35Å; F277-I286 HydrophobicContact CD1-CG1 4.33Å |
| 278 | A | 83.8 | Confident | 84.7 | Confident | 32 Ų | 32 | 64.3 Ų | 64.3 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -34.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L274 A275 L276 R280 I286 | L274-A278 PolarHBondContact O-N 2.92Å; A275-A278 WeakPolarHBondContact O-CB 3.32Å; A275-A278 PolarHBondContact O-N 3.5Å; L276-A278 VanDerWaalsContact C-N 3.3Å; L276-A278 PolarHBondContact O-N 3.3Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-I286 HydrophobicContact CB-CD1 3.41Å; A278-I286 VanDerWaalsContact CB-CD1 3.41Å; A278-I286 HydrophobicContact CB-CG1 4.27Å |
| 279 | H | 81.5 | Confident | 84.2 | Confident | 115 Ų | 115 | 71 Ų | 71 | 53% | 0.532 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.4 | -177.7 | -75.8 | 69.4 | 0 | 0 | 0 | 113.6 | A275 L276 F277 E281 K328 | A275-H279 PolarHBondContact O-N 2.91Å; A275-H279 PolarHBondContact O-ND1 3.33Å; L276-H279 PolarHBondContact O-N 3.5Å; F277-H279 VanDerWaalsContact C-N 3.25Å; F277-H279 PolarHBondContact O-N 2.72Å; H279-E281 PolarHBondContact O-N 3.4Å; H279-K328 VanDerWaalsContact CE1-CB 3.46Å; H279-K328 WeakPolarHBondContact CE1-CB 3.4Å; H279-K328 PolarHBondContact CE1-O 3.31Å; H279-K328 VanDerWaalsContact CE1-O 3.29Å |
| 280 | R | 85.8 | Confident | 83.7 | Confident | 162 Ų | 162 | 70 Ų | 70 | 61% | 0.611 | 37% | 0.371 | S | S | * | . | trans | -82.6 | 103.2 | -175.9 | -165.2 | 175 | -175.6 | -179.1 | -0.5 | 110.1 | L276 F277 A278 D282 G283 | L276-R280 PolarHBondContact O-N 3.46Å; F277-R280 WeakPolarHBondContact O-CB 3.14Å; F277-R280 PolarHBondContact O-N 3.34Å; A278-R280 VanDerWaalsContact C-N 3.34Å; R280-D282 VanDerWaalsContact C-N 3.32Å; R280-D282 PolarHBondContact O-N 3.02Å; R280-G283 PolarHBondContact O-N 3.42Å | ||
| 281 | E | 74.3 | Confident | 83.4 | Confident | 189 Ų | 189 | 75.6 Ų | 75.6 | 88% | 0.883 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35 | -176.5 | -64.1 | -173.6 | 166.9 | 0 | 0 | 113.6 | H279 G283 | H279-E281 PolarHBondContact O-N 3.4Å; E281-G283 VanDerWaalsContact C-N 3.29Å; E281-G283 PolarHBondContact O-N 3.28Å |
| 282 | D | 75.8 | Confident | 83.2 | Confident | 164 Ų | 164 | 75.6 Ų | 75.6 | 88% | 0.877 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 11.5 | -178.4 | -62.6 | -40.9 | 0 | 0 | 0 | 114.1 | R280 | R280-D282 VanDerWaalsContact C-N 3.32Å; R280-D282 PolarHBondContact O-N 3.02Å |
| 283 | G | 71.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 29% | 0.289 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -107 | 168.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R280 E281 G285 | R280-G283 PolarHBondContact O-N 3.42Å; E281-G283 VanDerWaalsContact C-N 3.29Å; E281-G283 PolarHBondContact O-N 3.28Å; G283-G285 PolarHBondContact O-N 2.89Å; G283-G285 VanDerWaalsContact O-N 3.08Å |
| 284 | P | 74.8 | Confident | 83.2 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 69% | 0.688 | 39% | 0.388 | S | S | * | . | trans | -65.7 | -7.6 | 173.2 | 28 | -33.6 | 0 | 0 | 0 | 113.4 | F277 | F277-P284 HydrophobicContact CZ-CG 4.01Š| ||
| 285 | G | 80.6 | Confident | 83.2 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | trans | 63.6 | -171.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F277 G283 P287 | F277-G285 VanDerWaalsContact CE1-O 3.24Å; F277-G285 WeakPolarHBondContact CE1-O 3.35Å; G283-G285 PolarHBondContact O-N 2.89Å; G283-G285 VanDerWaalsContact O-N 3.08Å; G285-P287 WeakPolarHBondContact O-CD 3.44Å | ||
| 286 | I | 82.6 | Confident | 83.4 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 21% | 0.205 | 40% | 0.395 | C | S | . | . | trans | -83 | 122.6 | 177.1 | -63 | 162.1 | 0 | 0 | 0 | 109.3 | F277 A278 L292 C329 | F277-I286 HydrophobicContact CD1-CG1 4.33Å; A278-I286 HydrophobicContact CB-CD1 3.41Å; A278-I286 VanDerWaalsContact CB-CD1 3.41Å; A278-I286 HydrophobicContact CB-CG1 4.27Å; I286-L292 HydrophobicContact CD1-CD1 3.51Å; I286-L292 HydrophobicContact CG1-CD1 4.01Å; I286-L292 HydrophobicContact CG2-CD1 3.81Å; I286-L292 HydrophobicContact CG2-CG 4.06Å; I286-C329 HydrophobicContact CD1-CB 4.09Å | ||
| 287 | P | 84.3 | Confident | 83.5 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | trans | -62.8 | 136.4 | 175.4 | -22.5 | 34 | 0 | 0 | 0 | 111.9 | G285 E289 I290 | G285-P287 WeakPolarHBondContact O-CD 3.44Å; P287-E289 PolarHBondContact O-N 3.3Å; P287-E289 VanDerWaalsContact O-N 3.17Å; P287-I290 HydrophobicContact CG-CD1 4.38Å; P287-I290 PolarHBondContact O-N 3.46Å; P287-I290 VanDerWaalsContact O-N 3.1Å | ||
| 288 | P | 78.1 | Confident | 83.6 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 81% | 0.805 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.8 | -177 | 27.5 | -35.5 | 0 | 0 | 0 | 113.7 | I290 | P288-I290 VanDerWaalsContact C-N 3.25Å; P288-I290 PolarHBondContact O-N 3.47Å |
| 289 | E | 82.8 | Confident | 83.7 | Confident | 174 Ų | 174 | 75.6 Ų | 75.6 | 81% | 0.813 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -30 | 175.5 | -62.4 | 172.6 | -177 | 0 | 0 | 112 | P287 K291 | P287-E289 PolarHBondContact O-N 3.3Å; P287-E289 VanDerWaalsContact O-N 3.17Å; E289-K291 PolarHBondContact O-N 2.72Å |
| 290 | I | 83.8 | Confident | 84 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -96.6 | 97 | -176.9 | -53.8 | 176.6 | 0 | 0 | 0 | 108.5 | L244 L247 P287 P288 L292 I295 | L244-I290 HydrophobicContact CB-CD1 3.93Å; L247-I290 HydrophobicContact CD1-CG2 4.35Å; P287-I290 HydrophobicContact CG-CD1 4.38Å; P287-I290 PolarHBondContact O-N 3.46Å; P287-I290 VanDerWaalsContact O-N 3.1Å; P288-I290 VanDerWaalsContact C-N 3.25Å; P288-I290 PolarHBondContact O-N 3.47Å; I290-L292 VanDerWaalsContact C-N 3.35Å; I290-L292 HydrophobicContact CG2-CD2 3.77Å; I290-L292 HydrophobicContact CG2-CG 4.49Å; I290-L292 PolarHBondContact O-N 3.2Å; I290-I295 HydrophobicContact CG2-CD1 4.02Å |
| 291 | K | 87.1 | Confident | 84.1 | Confident | 119 Ų | 119 | 65 Ų | 65 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | trans | -77 | 84.9 | 175.5 | -58.9 | -176.8 | -173.6 | 177.5 | 0 | 110.2 | E289 F293 D294 I295 | E289-K291 PolarHBondContact O-N 2.72Å; K291-F293 VanDerWaalsContact C-N 3.29Å; K291-F293 PolarHBondContact O-N 3.01Å; K291-D294 HydrophobicContact CB-CB 4.18Å; K291-D294 WeakPolarHBondContact CD-OD2 3.18Å; K291-D294 PolarHBondContact O-N 3.37Å; K291-I295 WeakPolarHBondContact O-CG1 3.38Å; K291-I295 PolarHBondContact O-N 2.87Å | ||
| 292 | L | 89.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.3 | -46 | -176.7 | -66.2 | -177 | 0 | 0 | 0 | 111.9 | L244 L247 I286 I290 D294 I295 F296 Y330 | L244-L292 HydrophobicContact CD2-CD1 4.28Å; L244-L292 HydrophobicContact CD2-CD2 3.72Å; L244-L292 HydrophobicContact CD2-CG 4.49Å; L247-L292 HydrophobicContact CD1-CD2 3.32Å; I286-L292 HydrophobicContact CD1-CD1 3.51Å; I286-L292 HydrophobicContact CG1-CD1 4.01Å; I286-L292 HydrophobicContact CG2-CD1 3.81Å; I286-L292 HydrophobicContact CG2-CG 4.06Å; I290-L292 VanDerWaalsContact C-N 3.35Å; I290-L292 HydrophobicContact CG2-CD2 3.77Å; I290-L292 HydrophobicContact CG2-CG 4.49Å; I290-L292 PolarHBondContact O-N 3.2Å; L292-D294 PolarHBondContact O-N 3.42Å; L292-I295 PolarHBondContact O-N 3.1Å; L292-F296 HydrophobicContact CB-CD2 4.29Å; L292-F296 HydrophobicContact CD2-CE2 4.33Å; L292-F296 WeakPolarHBondContact O-CB 3.23Å; L292-F296 VanDerWaalsContact O-CD2 3.26Å; L292-F296 WeakPolarHBondContact O-CD2 3.49Å; L292-F296 PolarHBondContact O-N 3.24Å; L292-Y330 PolarHBondContact N-OH 3.48Å |
| 293 | F | 89.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -51.6 | -177.5 | -177.4 | -97.8 | 0 | 0 | 0 | 112.2 | K291 I295 F296 S297 A326 Y330 Y336 K339 V340 | K291-F293 VanDerWaalsContact C-N 3.29Å; K291-F293 PolarHBondContact O-N 3.01Å; F293-I295 VanDerWaalsContact C-N 3.33Å; F293-I295 PolarHBondContact O-N 3.29Å; F293-F296 PolarHBondContact O-N 3.12Å; F293-S297 WeakPolarHBondContact O-CB 3.25Å; F293-S297 PolarHBondContact O-N 3.11Å; F293-A326 HydrophobicContact CD2-CB 3.9Å; F293-A326 HydrophobicContact CE2-CB 3.94Å; F293-Y330 HydrophobicContact CB-CD2 4.43Å; F293-Y330 HydrophobicContact CB-CE2 4.07Å; F293-Y336 HydrophobicContact CB-CD2 4.44Å; F293-Y336 AromaticContact CD1-CD1 3.33Å; F293-Y336 HydrophobicContact CD1-CD1 3.33Å; F293-Y336 HydrophobicContact CD1-CD2 4.4Å; F293-Y336 AromaticContact CD1-CE1 3.74Å; F293-Y336 HydrophobicContact CD1-CE1 3.74Å; F293-Y336 AromaticContact CD1-CG 3.7Å; F293-Y336 HydrophobicContact CD1-CG 3.7Å; F293-Y336 HydrophobicContact CD2-CG 4.41Å; F293-Y336 AromaticContact CE1-CD1 3.53Å; F293-Y336 HydrophobicContact CE1-CD1 3.53Å; F293-Y336 HydrophobicContact CE1-CE1 4.27Å; F293-Y336 AromaticContact CE1-CG 3.97Å; F293-Y336 HydrophobicContact CE1-CG 3.97Å; F293-Y336 HydrophobicContact CG-CD1 4.04Å; F293-Y336 HydrophobicContact CG-CD2 4.31Å; F293-Y336 HydrophobicContact CG-CE1 4.48Å; F293-Y336 AromaticContact CG-CG 3.94Å; F293-Y336 HydrophobicContact CG-CG 3.94Å; F293-Y336 HydrophobicContact CZ-CD1 4.36Å; F293-Y336 HydrophobicContact CZ-CG 4.43Å; F293-Y336 VanDerWaalsContact CZ-O 3.24Å; F293-Y336 WeakPolarHBondContact CZ-O 3.4Å; F293-K339 HydrophobicContact CE1-CB 4.43Å; F293-K339 HydrophobicContact CZ-CB 4.38Å; F293-V340 HydrophobicContact CE2-CG2 3.34Å; F293-V340 HydrophobicContact CZ-CG2 3.49Å; F293-V340 VanDerWaalsContact CZ-CG2 3.49Å |
| 294 | D | 89.9 | Confident | 86 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | -179.2 | -62.4 | -19.6 | 0 | 0 | 0 | 111.4 | K291 L292 Q298 | K291-D294 HydrophobicContact CB-CB 4.18Å; K291-D294 WeakPolarHBondContact CD-OD2 3.18Å; K291-D294 PolarHBondContact O-N 3.37Å; L292-D294 PolarHBondContact O-N 3.42Å; D294-Q298 WeakPolarHBondContact O-CB 3.41Å; D294-Q298 PolarHBondContact O-N 2.94Å; D294-Q298 VanDerWaalsContact O-N 3.09Å |
| 295 | I | 90.3 | Very high | 86.4 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 16% | 0.159 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -51.9 | 179.1 | -64.2 | 167.4 | 0 | 0 | 0 | 110.2 | L247 L251 I290 K291 L292 F293 Q298 Q299 | L247-I295 HydrophobicContact CB-CG2 4.19Å; L251-I295 HydrophobicContact CD1-CG2 4.41Å; I290-I295 HydrophobicContact CG2-CD1 4.02Å; K291-I295 WeakPolarHBondContact O-CG1 3.38Å; K291-I295 PolarHBondContact O-N 2.87Å; L292-I295 PolarHBondContact O-N 3.1Å; F293-I295 VanDerWaalsContact C-N 3.33Å; F293-I295 PolarHBondContact O-N 3.29Å; I295-Q298 PolarHBondContact O-N 2.89Å; I295-Q299 HydrophobicContact CG2-CG 4.19Å; I295-Q299 VanDerWaalsContact O-CB 3.29Å; I295-Q299 WeakPolarHBondContact O-CB 3.28Å; I295-Q299 WeakPolarHBondContact O-CG 3.43Å; I295-Q299 PolarHBondContact O-N 3.39Å |
| 296 | F | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | -179.3 | -84 | -72.5 | 0 | 0 | 0 | 111.5 | L247 L251 L270 I271 L274 L292 F293 Q298 Q299 V300 L322 L325 | L247-F296 HydrophobicContact CD1-CE2 4.14Å; L247-F296 HydrophobicContact CD2-CE2 4.31Å; L247-F296 HydrophobicContact CD2-CZ 3.97Å; L251-F296 HydrophobicContact CD1-CD1 3.95Å; L251-F296 HydrophobicContact CD1-CE1 3.93Å; L251-F296 HydrophobicContact CD2-CE1 4.2Å; L270-F296 HydrophobicContact CD2-CE1 3.94Å; L270-F296 HydrophobicContact CD2-CZ 3.91Å; L270-F296 HydrophobicContact CG-CE1 4.32Å; L270-F296 HydrophobicContact CG-CZ 4.01Å; I271-F296 HydrophobicContact CD1-CD1 3.97Å; I271-F296 HydrophobicContact CD1-CE1 4.23Å; I271-F296 HydrophobicContact CD1-CG 4.45Å; I271-F296 HydrophobicContact CG1-CD1 3.87Å; I271-F296 HydrophobicContact CG1-CE1 3.66Å; I271-F296 HydrophobicContact CG1-CE2 4.45Å; I271-F296 HydrophobicContact CG1-CG 4.36Å; I271-F296 HydrophobicContact CG1-CZ 3.99Å; L274-F296 HydrophobicContact CD1-CE2 3.67Å; L274-F296 HydrophobicContact CD1-CZ 3.66Å; L292-F296 HydrophobicContact CB-CD2 4.29Å; L292-F296 HydrophobicContact CD2-CE2 4.33Å; L292-F296 WeakPolarHBondContact O-CB 3.23Å; L292-F296 VanDerWaalsContact O-CD2 3.26Å; L292-F296 WeakPolarHBondContact O-CD2 3.49Å; L292-F296 PolarHBondContact O-N 3.24Å; F293-F296 PolarHBondContact O-N 3.12Å; F296-Q298 VanDerWaalsContact C-N 3.32Å; F296-Q298 PolarHBondContact O-N 3.43Å; F296-Q299 PolarHBondContact O-N 2.97Å; F296-V300 HydrophobicContact CD1-CG2 4.49Å; F296-V300 WeakPolarHBondContact O-CB 3.39Å; F296-V300 WeakPolarHBondContact O-CG2 3.32Å; F296-V300 PolarHBondContact O-N 3.05Å; F296-L322 HydrophobicContact CB-CD2 3.69Å; F296-L325 HydrophobicContact CB-CD2 4.29Å; F296-L325 HydrophobicContact CD2-CD2 3.68Å; F296-L325 HydrophobicContact CE2-CD2 4.33Å; F296-L325 HydrophobicContact CG-CD2 4.17Å |
| 297 | S | 89.4 | Confident | 86.8 | Confident | 34 Ų | 34 | 54 Ų | 54 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 178 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | F293 A301 | F293-S297 WeakPolarHBondContact O-CB 3.25Å; F293-S297 PolarHBondContact O-N 3.11Å; S297-A301 WeakPolarHBondContact O-CB 3.41Å; S297-A301 PolarHBondContact O-N 3.13Å |
| 298 | Q | 89 | Confident | 86.6 | Confident | 132 Ų | 132 | 60.3 Ų | 60.3 | 62% | 0.617 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.3 | -44.3 | -179.8 | -171.4 | 178.4 | 18.5 | 0 | 0 | 112.5 | D294 I295 F296 T302 | D294-Q298 WeakPolarHBondContact O-CB 3.41Å; D294-Q298 PolarHBondContact O-N 2.94Å; D294-Q298 VanDerWaalsContact O-N 3.09Å; I295-Q298 PolarHBondContact O-N 2.89Å; F296-Q298 VanDerWaalsContact C-N 3.32Å; F296-Q298 PolarHBondContact O-N 3.43Å; Q298-T302 PolarHBondContact O-N 3.4Å; Q298-T302 VanDerWaalsContact O-N 3.09Å; Q298-T302 PolarHBondContact O-OG1 3.16Å |
| 299 | Q | 87.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.4 | -39 | -176.6 | -66.6 | -57.6 | -30.1 | 0 | 0 | 112 | N248 L251 I295 F296 A301 T302 V303 | N248-Q299 PolarHBondContact OD1-NE2 3.04Å; L251-Q299 HydrophobicContact CB-CB 3.84Å; L251-Q299 HydrophobicContact CB-CG 4.1Å; L251-Q299 HydrophobicContact CD1-CB 3.61Å; L251-Q299 HydrophobicContact CD1-CG 3.89Å; L251-Q299 HydrophobicContact CG-CB 4.3Å; I295-Q299 HydrophobicContact CG2-CG 4.19Å; I295-Q299 VanDerWaalsContact O-CB 3.29Å; I295-Q299 WeakPolarHBondContact O-CB 3.28Å; I295-Q299 WeakPolarHBondContact O-CG 3.43Å; I295-Q299 PolarHBondContact O-N 3.39Å; F296-Q299 PolarHBondContact O-N 2.97Å; Q299-A301 VanDerWaalsContact C-N 3.34Å; Q299-A301 PolarHBondContact O-N 3.39Å; Q299-T302 CarbonylContact O-C 3.25Å; Q299-T302 WeakPolarHBondContact O-CB 3.36Å; Q299-T302 PolarHBondContact O-N 2.65Å; Q299-T302 VanDerWaalsContact O-N 3.12Å; Q299-V303 VanDerWaalsContact O-CG2 3.32Å; Q299-V303 WeakPolarHBondContact O-CG2 3.22Å; Q299-V303 PolarHBondContact O-N 3.24Å |
| 300 | V | 88 | Confident | 86.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | I267 F296 T302 V303 I304 L318 L322 | I267-V300 HydrophobicContact CD1-CG2 4.48Å; I267-V300 HydrophobicContact CG2-CG2 4.02Å; F296-V300 HydrophobicContact CD1-CG2 4.49Å; F296-V300 WeakPolarHBondContact O-CB 3.39Å; F296-V300 WeakPolarHBondContact O-CG2 3.32Å; F296-V300 PolarHBondContact O-N 3.05Å; V300-T302 VanDerWaalsContact C-N 3.29Å; V300-T302 PolarHBondContact O-N 3.43Å; V300-V303 PolarHBondContact O-N 2.91Å; V300-I304 HydrophobicContact CG1-CD1 3.75Å; V300-I304 HydrophobicContact CG1-CG1 4.4Å; V300-I304 WeakPolarHBondContact O-CD1 3.19Å; V300-I304 VanDerWaalsContact O-CG1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 3.16Å; V300-L318 HydrophobicContact CG1-CB 4.09Å; V300-L318 HydrophobicContact CG1-CD1 4.08Å; V300-L322 HydrophobicContact CB-CD1 4.48Å; V300-L322 HydrophobicContact CG1-CD1 4.31Å; V300-L322 HydrophobicContact CG2-CD2 4.47Å |
| 301 | A | 86.4 | Confident | 87 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S297 Q299 I304 Q305 | S297-A301 WeakPolarHBondContact O-CB 3.41Å; S297-A301 PolarHBondContact O-N 3.13Å; Q299-A301 VanDerWaalsContact C-N 3.34Å; Q299-A301 PolarHBondContact O-N 3.39Å; A301-I304 PolarHBondContact O-N 3.2Å; A301-Q305 WeakPolarHBondContact O-CB 3.49Å; A301-Q305 PolarHBondContact O-N 3.27Å |
| 302 | T | 87.5 | Confident | 87 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | Q298 Q299 V300 Q305 S306 | Q298-T302 PolarHBondContact O-N 3.4Å; Q298-T302 VanDerWaalsContact O-N 3.09Å; Q298-T302 PolarHBondContact O-OG1 3.16Å; Q299-T302 CarbonylContact O-C 3.25Å; Q299-T302 WeakPolarHBondContact O-CB 3.36Å; Q299-T302 PolarHBondContact O-N 2.65Å; Q299-T302 VanDerWaalsContact O-N 3.12Å; V300-T302 VanDerWaalsContact C-N 3.29Å; V300-T302 PolarHBondContact O-N 3.43Å; T302-Q305 PolarHBondContact O-N 2.89Å; T302-S306 PolarHBondContact O-N 3.31Å |
| 303 | V | 87.6 | Confident | 87 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | C254 A255 V263 I267 Q299 V300 Q305 S306 R307 | C254-V303 HydrophobicContact CB-CG2 4.28Å; A255-V303 HydrophobicContact CB-CG2 4.11Å; V263-V303 HydrophobicContact CG1-CG1 3.76Å; I267-V303 HydrophobicContact CD1-CB 4.44Å; I267-V303 HydrophobicContact CD1-CG1 4.04Å; I267-V303 HydrophobicContact CD1-CG2 4.47Å; Q299-V303 VanDerWaalsContact O-CG2 3.32Å; Q299-V303 WeakPolarHBondContact O-CG2 3.22Å; Q299-V303 PolarHBondContact O-N 3.24Å; V300-V303 PolarHBondContact O-N 2.91Å; V303-Q305 VanDerWaalsContact C-N 3.27Å; V303-Q305 PolarHBondContact O-N 2.75Å; V303-S306 PolarHBondContact O-N 3.06Å; V303-S306 PolarHBondContact O-OG 3.32Å; V303-S306 VanDerWaalsContact O-OG 3.1Å; V303-R307 VanDerWaalsContact O-CG 3.23Å; V303-R307 WeakPolarHBondContact O-CG 3.48Å; V303-R307 PolarHBondContact O-N 3.09Å |
| 304 | I | 85.4 | Confident | 87 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.8 | -67 | 160 | 0 | 0 | 0 | 109.8 | V300 A301 S306 R307 M310 I315 L318 | V300-I304 HydrophobicContact CG1-CD1 3.75Å; V300-I304 HydrophobicContact CG1-CG1 4.4Å; V300-I304 WeakPolarHBondContact O-CD1 3.19Å; V300-I304 VanDerWaalsContact O-CG1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 3.16Å; A301-I304 PolarHBondContact O-N 3.2Å; I304-S306 VanDerWaalsContact C-N 3.33Å; I304-S306 PolarHBondContact O-N 3.15Å; I304-R307 PolarHBondContact O-N 3.08Å; I304-M310 HydrophobicContact CG1-SD 4.23Å; I304-I315 HydrophobicContact CD1-CG2 3.96Å; I304-I315 HydrophobicContact CG2-CD1 3.95Å; I304-I315 HydrophobicContact CG2-CG1 4.13Å; I304-L318 HydrophobicContact CD1-CD1 4.33Å; I304-L318 HydrophobicContact CG1-CD1 4.18Å |
| 305 | Q | 85.1 | Confident | 87 | Confident | 155 Ų | 155 | 54.3 Ų | 54.3 | 72% | 0.724 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.4 | -25 | 179.7 | -170.7 | 160.3 | 13.4 | 0 | 0 | 114.1 | A301 T302 V303 R307 | A301-Q305 WeakPolarHBondContact O-CB 3.49Å; A301-Q305 PolarHBondContact O-N 3.27Å; T302-Q305 PolarHBondContact O-N 2.89Å; V303-Q305 VanDerWaalsContact C-N 3.27Å; V303-Q305 PolarHBondContact O-N 2.75Å; Q305-R307 VanDerWaalsContact C-N 3.29Å |
| 306 | S | 86.6 | Confident | 87 | Confident | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.3 | -13.5 | 176 | 81.1 | 0 | 0 | 0 | 0 | 113.5 | A255 Q259 T302 V303 I304 | A255-S306 PolarHBondContact O-OG 2.95Å; Q259-S306 PolarHBondContact NE2-O 3.18Å; T302-S306 PolarHBondContact O-N 3.31Å; V303-S306 PolarHBondContact O-N 3.06Å; V303-S306 PolarHBondContact O-OG 3.32Å; V303-S306 VanDerWaalsContact O-OG 3.1Å; I304-S306 VanDerWaalsContact C-N 3.33Å; I304-S306 PolarHBondContact O-N 3.15Å |
| 307 | R | 85.1 | Confident | 87 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | trans | -90.6 | 131.8 | -179.1 | -64.7 | -78.2 | 160.3 | -169.6 | -17.9 | 110.1 | C254 L257 H258 Q259 V263 V303 I304 Q305 M310 | C254-R307 PolarHBondContact O-NH2 3.21Å; C254-R307 VanDerWaalsContact O-NH2 3.09Å; L257-R307 PolarHBondContact O-NH2 2.95Å; H258-R307 PolarHBondContact O-NH1 2.86Å; Q259-R307 VanDerWaalsContact CA-NH1 3.26Å; Q259-R307 PolarHBondContact O-NH1 2.84Å; Q259-R307 VanDerWaalsContact O-NH1 3.15Å; V263-R307 VanDerWaalsContact CG2-NH2 3.31Å; V303-R307 VanDerWaalsContact O-CG 3.23Å; V303-R307 WeakPolarHBondContact O-CG 3.48Å; V303-R307 PolarHBondContact O-N 3.09Å; I304-R307 PolarHBondContact O-N 3.08Å; Q305-R307 VanDerWaalsContact C-N 3.29Å; R307-M310 HydrophobicContact CB-CB 4.09Å; R307-M310 HydrophobicContact CG-CE 3.96Å | ||
| 308 | Q | 79.5 | Confident | 87.1 | Confident | 173 Ų | 173 | 51.7 Ų | 51.7 | 81% | 0.808 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -84 | -31.4 | -177.9 | -66.8 | -178.5 | 0.2 | 0 | 0 | 112.9 | ||
| 309 | D | 80.7 | Confident | 87.2 | Confident | 156 Ų | 156 | 45.9 Ų | 45.9 | 83% | 0.834 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -145.3 | 66.2 | -172 | -164.3 | 24.2 | 0 | 0 | 0 | 110 | ||
| 310 | M | 83.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 16% | 0.163 | 25% | 0.245 | C | C | . | . | trans | -94.1 | 125.4 | 174.2 | -178.1 | 170.7 | -87.6 | 0 | 0 | 109.1 | I304 R307 D314 I315 L318 | I304-M310 HydrophobicContact CG1-SD 4.23Å; R307-M310 HydrophobicContact CB-CB 4.09Å; R307-M310 HydrophobicContact CG-CE 3.96Å; M310-D314 HydrophobicContact CG-CB 4Å; M310-D314 HydrophobicContact SD-CB 4.47Å; M310-I315 HydrophobicContact CG-CG1 3.95Å; M310-I315 HydrophobicContact SD-CG1 3.82Å; M310-L318 HydrophobicContact SD-CD1 4.42Å | ||
| 311 | P | 88.1 | Confident | 87.7 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | trans | -58.5 | 142.6 | 175.4 | -22.3 | 32.3 | 0 | 0 | 0 | 112.1 | E313 D314 I315 | P311-E313 HydrophobicContact CB-CG 4.13Å; P311-E313 VanDerWaalsContact CB-OE1 3.31Å; P311-E313 WeakPolarHBondContact CB-OE1 3.4Å; P311-E313 VanDerWaalsContact CB-OE2 3.26Å; P311-E313 WeakPolarHBondContact CB-OE2 3.39Å; P311-E313 PolarHBondContact O-N 3.47Å; P311-D314 WeakPolarHBondContact O-CB 3.4Å; P311-D314 PolarHBondContact O-N 3.28Å; P311-I315 PolarHBondContact O-N 3.27Å | ||
| 312 | S | 86.9 | Confident | 87.9 | Confident | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -33.5 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | D314 I315 V316 | S312-D314 VanDerWaalsContact C-N 3.26Å; S312-D314 PolarHBondContact O-N 3.41Å; S312-I315 WeakPolarHBondContact O-CB 3.45Å; S312-I315 PolarHBondContact O-N 3Å; S312-V316 WeakPolarHBondContact O-CG2 3.03Å; S312-V316 PolarHBondContact O-N 3.43Å |
| 313 | E | 89.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 175.6 | 63.8 | -87.8 | -153.2 | 0 | 0 | 112.7 | P311 S317 A361 V362 | P311-E313 HydrophobicContact CB-CG 4.13Å; P311-E313 VanDerWaalsContact CB-OE1 3.31Å; P311-E313 WeakPolarHBondContact CB-OE1 3.4Å; P311-E313 VanDerWaalsContact CB-OE2 3.26Å; P311-E313 WeakPolarHBondContact CB-OE2 3.39Å; P311-E313 PolarHBondContact O-N 3.47Å; E313-S317 WeakPolarHBondContact O-CB 3.45Å; E313-S317 PolarHBondContact O-N 3.1Å; E313-S317 PolarHBondContact O-OG 3.21Å; E313-A361 HydrophobicContact CB-CB 4.01Å; E313-A361 HydrophobicContact CG-CB 4.19Å; E313-V362 HydrophobicContact CB-CG2 4.12Å |
| 314 | D | 90.2 | Very high | 88.3 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.6 | -36.7 | 177.3 | -72.7 | -19 | 0 | 0 | 0 | 110.8 | K264 M310 P311 S312 S317 L318 | K264-D314 HydrophobicContact CB-CB 4.49Å; K264-D314 HydrophobicContact CD-CB 4.02Å; K264-D314 WeakPolarHBondContact CD-OD1 3.43Å; K264-D314 WeakPolarHBondContact CE-OD1 3.33Å; K264-D314 IonicContact NZ-OD1 2.81Å; K264-D314 PolarHBondContact NZ-OD1 3.09Å; M310-D314 HydrophobicContact CG-CB 4Å; M310-D314 HydrophobicContact SD-CB 4.47Å; P311-D314 WeakPolarHBondContact O-CB 3.4Å; P311-D314 PolarHBondContact O-N 3.28Å; S312-D314 VanDerWaalsContact C-N 3.26Å; S312-D314 PolarHBondContact O-N 3.41Å; D314-S317 WeakPolarHBondContact O-CB 3.49Å; D314-S317 PolarHBondContact O-N 3.25Å; D314-L318 WeakPolarHBondContact O-CG 3.47Å; D314-L318 PolarHBondContact O-N 3.01Å; D314-L318 VanDerWaalsContact O-N 3.09Å |
| 315 | I | 89.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 173.8 | -60.3 | 173.3 | 0 | 0 | 0 | 110.2 | I304 M310 P311 S312 S317 L318 Q319 I347 | I304-I315 HydrophobicContact CD1-CG2 3.96Å; I304-I315 HydrophobicContact CG2-CD1 3.95Å; I304-I315 HydrophobicContact CG2-CG1 4.13Å; M310-I315 HydrophobicContact CG-CG1 3.95Å; M310-I315 HydrophobicContact SD-CG1 3.82Å; P311-I315 PolarHBondContact O-N 3.27Å; S312-I315 WeakPolarHBondContact O-CB 3.45Å; S312-I315 PolarHBondContact O-N 3Å; I315-S317 VanDerWaalsContact C-N 3.35Å; I315-L318 WeakPolarHBondContact O-CB 3.49Å; I315-L318 PolarHBondContact O-N 3.37Å; I315-Q319 PolarHBondContact O-N 3.43Å; I315-Q319 VanDerWaalsContact O-N 3.16Å; I315-I347 HydrophobicContact CG2-CD1 4.05Å; I315-I347 HydrophobicContact CG2-CG2 3.86Å |
| 316 | V | 90.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | S312 L318 Q319 V320 F348 V362 E365 L369 | S312-V316 WeakPolarHBondContact O-CG2 3.03Å; S312-V316 PolarHBondContact O-N 3.43Å; V316-L318 PolarHBondContact O-N 2.88Å; V316-Q319 CarbonylContact O-C 3.56Å; V316-Q319 WeakPolarHBondContact O-CA 3.43Å; V316-Q319 WeakPolarHBondContact O-CB 3.39Å; V316-Q319 PolarHBondContact O-N 3.42Å; V316-V320 WeakPolarHBondContact O-CG2 3.22Å; V316-V320 PolarHBondContact O-N 2.73Å; V316-F348 HydrophobicContact CG2-CE1 3.93Å; V316-F348 HydrophobicContact CG2-CZ 3.69Å; V316-V362 HydrophobicContact CG2-CG1 4.2Å; V316-E365 HydrophobicContact CB-CB 4.16Å; V316-E365 HydrophobicContact CG1-CB 3.76Å; V316-L369 HydrophobicContact CG1-CD1 4.05Å |
| 317 | S | 92.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -37.2 | 175 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | E313 D314 I315 V320 S321 | E313-S317 WeakPolarHBondContact O-CB 3.45Å; E313-S317 PolarHBondContact O-N 3.1Å; E313-S317 PolarHBondContact O-OG 3.21Å; D314-S317 WeakPolarHBondContact O-CB 3.49Å; D314-S317 PolarHBondContact O-N 3.25Å; I315-S317 VanDerWaalsContact C-N 3.35Å; S317-V320 WeakPolarHBondContact O-CB 3.34Å; S317-V320 PolarHBondContact O-N 3.01Å; S317-S321 PolarHBondContact O-N 2.96Å; S317-S321 VanDerWaalsContact O-N 3.16Å |
| 318 | L | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 173 | -69.3 | 170.1 | 0 | 0 | 0 | 111.2 | K264 I267 I268 V300 I304 M310 D314 I315 V316 V320 S321 L322 | K264-L318 HydrophobicContact CG-CD2 4.4Å; K264-L318 HydrophobicContact CG-CG 4.49Å; I267-L318 HydrophobicContact CB-CD2 3.83Å; I267-L318 HydrophobicContact CD1-CD2 4.31Å; I267-L318 HydrophobicContact CG2-CD2 3.73Å; I268-L318 HydrophobicContact CG1-CD2 4.33Å; V300-L318 HydrophobicContact CG1-CB 4.09Å; V300-L318 HydrophobicContact CG1-CD1 4.08Å; I304-L318 HydrophobicContact CD1-CD1 4.33Å; I304-L318 HydrophobicContact CG1-CD1 4.18Å; M310-L318 HydrophobicContact SD-CD1 4.42Å; D314-L318 WeakPolarHBondContact O-CG 3.47Å; D314-L318 PolarHBondContact O-N 3.01Å; D314-L318 VanDerWaalsContact O-N 3.09Å; I315-L318 WeakPolarHBondContact O-CB 3.49Å; I315-L318 PolarHBondContact O-N 3.37Å; V316-L318 PolarHBondContact O-N 2.88Å; L318-V320 VanDerWaalsContact C-N 3.29Å; L318-V320 PolarHBondContact O-N 3.15Å; L318-S321 PolarHBondContact O-N 3.36Å; L318-S321 VanDerWaalsContact O-N 3.13Å; L318-S321 PolarHBondContact O-OG 3.42Å; L318-L322 WeakPolarHBondContact O-CG 3.38Å; L318-L322 PolarHBondContact O-N 3.27Å |
| 319 | Q | 91.2 | Very high | 89.1 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 173.7 | -58.9 | -51.4 | -42.6 | 0 | 0 | 112 | I315 V316 S321 L322 I323 V340 I347 L369 | I315-Q319 PolarHBondContact O-N 3.43Å; I315-Q319 VanDerWaalsContact O-N 3.16Å; V316-Q319 CarbonylContact O-C 3.56Å; V316-Q319 WeakPolarHBondContact O-CA 3.43Å; V316-Q319 WeakPolarHBondContact O-CB 3.39Å; V316-Q319 PolarHBondContact O-N 3.42Å; Q319-S321 VanDerWaalsContact C-N 3.32Å; Q319-S321 PolarHBondContact O-N 3.37Å; Q319-L322 WeakPolarHBondContact O-CB 3.24Å; Q319-L322 PolarHBondContact O-N 3.19Å; Q319-L322 VanDerWaalsContact O-N 3.11Å; Q319-I323 PolarHBondContact O-N 3.1Å; Q319-V340 HydrophobicContact CB-CG1 4.22Å; Q319-I347 HydrophobicContact CG-CD1 4.34Å; Q319-L369 HydrophobicContact CB-CD1 3.75Å |
| 320 | V | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | V316 S317 L318 L322 I323 N324 R368 L369 I372 | V316-V320 WeakPolarHBondContact O-CG2 3.22Å; V316-V320 PolarHBondContact O-N 2.73Å; S317-V320 WeakPolarHBondContact O-CB 3.34Å; S317-V320 PolarHBondContact O-N 3.01Å; L318-V320 VanDerWaalsContact C-N 3.29Å; L318-V320 PolarHBondContact O-N 3.15Å; V320-L322 VanDerWaalsContact C-N 3.3Å; V320-L322 PolarHBondContact O-N 3.11Å; V320-I323 PolarHBondContact O-N 3.12Å; V320-N324 WeakPolarHBondContact O-CB 3.46Å; V320-N324 PolarHBondContact O-N 3.1Å; V320-R368 HydrophobicContact CG1-CG 4.49Å; V320-R368 VanDerWaalsContact CG1-NH1 3.32Å; V320-R368 VanDerWaalsContact CG1-NH2 3.29Å; V320-L369 HydrophobicContact CG2-CB 3.68Å; V320-L369 HydrophobicContact CG2-CD1 4.25Å; V320-L369 HydrophobicContact CG2-CG 4.2Å; V320-I372 HydrophobicContact CG1-CD1 3.44Å; V320-I372 VanDerWaalsContact CG1-CD1 3.44Å |
| 321 | S | 91.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | I271 S317 L318 Q319 N324 L325 | I271-S321 WeakPolarHBondContact CD1-OG 3.3Å; S317-S321 PolarHBondContact O-N 2.96Å; S317-S321 VanDerWaalsContact O-N 3.16Å; L318-S321 PolarHBondContact O-N 3.36Å; L318-S321 VanDerWaalsContact O-N 3.13Å; L318-S321 PolarHBondContact O-OG 3.42Å; Q319-S321 VanDerWaalsContact C-N 3.32Å; Q319-S321 PolarHBondContact O-N 3.37Å; S321-N324 PolarHBondContact O-N 2.91Å; S321-L325 WeakPolarHBondContact O-CB 3.08Å; S321-L325 PolarHBondContact O-N 3.28Å |
| 322 | L | 91.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.7 | -41.6 | 175.6 | -69.8 | 175.3 | 0 | 0 | 0 | 112.5 | I271 F296 V300 L318 Q319 V320 L325 A326 V340 | I271-L322 HydrophobicContact CD1-CD2 4.21Å; F296-L322 HydrophobicContact CB-CD2 3.69Å; V300-L322 HydrophobicContact CB-CD1 4.48Å; V300-L322 HydrophobicContact CG1-CD1 4.31Å; V300-L322 HydrophobicContact CG2-CD2 4.47Å; L318-L322 WeakPolarHBondContact O-CG 3.38Å; L318-L322 PolarHBondContact O-N 3.27Å; Q319-L322 WeakPolarHBondContact O-CB 3.24Å; Q319-L322 PolarHBondContact O-N 3.19Å; Q319-L322 VanDerWaalsContact O-N 3.11Å; V320-L322 VanDerWaalsContact C-N 3.3Å; V320-L322 PolarHBondContact O-N 3.11Å; L322-L325 PolarHBondContact O-N 3.13Å; L322-A326 WeakPolarHBondContact O-CB 3.4Å; L322-A326 PolarHBondContact O-N 2.93Å; L322-V340 HydrophobicContact CB-CG1 4.17Å; L322-V340 HydrophobicContact CB-CG2 4.11Å |
| 323 | I | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 172.1 | -65.6 | -164.9 | 0 | 0 | 0 | 109.7 | Q319 V320 L325 A326 M327 V337 V340 L341 L369 I372 P373 | Q319-I323 PolarHBondContact O-N 3.1Å; V320-I323 PolarHBondContact O-N 3.12Å; I323-L325 VanDerWaalsContact C-N 3.29Å; I323-L325 PolarHBondContact O-N 3.46Å; I323-A326 PolarHBondContact O-N 3.42Å; I323-A326 VanDerWaalsContact O-N 3.17Å; I323-M327 HydrophobicContact CG2-CG 4.02Å; I323-M327 WeakPolarHBondContact O-CB 3.21Å; I323-M327 VanDerWaalsContact O-CG 3.22Å; I323-M327 WeakPolarHBondContact O-CG 3.48Å; I323-M327 PolarHBondContact O-N 3.38Å; I323-V337 HydrophobicContact CG2-CG1 4.41Å; I323-V340 HydrophobicContact CD1-CB 4.37Å; I323-V340 HydrophobicContact CD1-CG1 4.05Å; I323-V340 HydrophobicContact CG1-CB 3.73Å; I323-V340 HydrophobicContact CG1-CG1 3.38Å; I323-V340 HydrophobicContact CG1-CG2 4.27Å; I323-L341 HydrophobicContact CD1-CD2 3.66Å; I323-L341 HydrophobicContact CD1-CG 4.32Å; I323-L369 HydrophobicContact CD1-CD1 4.36Å; I323-L369 HydrophobicContact CD1-CD2 3.44Å; I323-L369 VanDerWaalsContact CD1-CD2 3.44Å; I323-L369 HydrophobicContact CD1-CG 3.66Å; I323-I372 HydrophobicContact CG2-CB 4.38Å; I323-I372 HydrophobicContact CG2-CG2 3.86Å; I323-P373 HydrophobicContact CG2-CG 4.34Å |
| 324 | N | 90.3 | Very high | 88.9 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 179.5 | -163.8 | 25.8 | 0 | 0 | 0 | 111.3 | V320 S321 K328 | V320-N324 WeakPolarHBondContact O-CB 3.46Å; V320-N324 PolarHBondContact O-N 3.1Å; S321-N324 PolarHBondContact O-N 2.91Å; N324-K328 WeakPolarHBondContact O-CB 3.42Å; N324-K328 VanDerWaalsContact O-CG 3.3Å; N324-K328 WeakPolarHBondContact O-CG 3.34Å; N324-K328 PolarHBondContact O-N 2.74Å; N324-K328 WeakPolarHBondContact OD1-CE 3.47Å |
| 325 | L | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 174.7 | -178.2 | 70 | 0 | 0 | 0 | 111.7 | I271 F296 S321 L322 I323 K328 C329 | I271-L325 HydrophobicContact CG2-CB 3.84Å; I271-L325 HydrophobicContact CG2-CD1 4.13Å; I271-L325 HydrophobicContact CG2-CD2 4.48Å; I271-L325 HydrophobicContact CG2-CG 4.36Å; F296-L325 HydrophobicContact CB-CD2 4.29Å; F296-L325 HydrophobicContact CD2-CD2 3.68Å; F296-L325 HydrophobicContact CE2-CD2 4.33Å; F296-L325 HydrophobicContact CG-CD2 4.17Å; S321-L325 WeakPolarHBondContact O-CB 3.08Å; S321-L325 PolarHBondContact O-N 3.28Å; L322-L325 PolarHBondContact O-N 3.13Å; I323-L325 VanDerWaalsContact C-N 3.29Å; I323-L325 PolarHBondContact O-N 3.46Å; L325-K328 PolarHBondContact O-N 3.36Å; L325-C329 WeakPolarHBondContact CD1-SG 3.44Å; L325-C329 VanDerWaalsContact O-CB 3.26Å; L325-C329 WeakPolarHBondContact O-CB 3.41Å; L325-C329 PolarHBondContact O-N 3.09Å; L325-C329 PolarHBondContact O-SG 2.87Å; L325-C329 VanDerWaalsContact O-SG 3.39Å |
| 326 | A | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F293 L322 I323 K328 Y330 V337 | F293-A326 HydrophobicContact CD2-CB 3.9Å; F293-A326 HydrophobicContact CE2-CB 3.94Å; L322-A326 WeakPolarHBondContact O-CB 3.4Å; L322-A326 PolarHBondContact O-N 2.93Å; I323-A326 PolarHBondContact O-N 3.42Å; I323-A326 VanDerWaalsContact O-N 3.17Å; A326-K328 PolarHBondContact O-N 3.07Å; A326-Y330 CarbonylContact O-C 3.46Å; A326-Y330 VanDerWaalsContact O-C 3.25Å; A326-Y330 VanDerWaalsContact O-CA 3.32Å; A326-Y330 WeakPolarHBondContact O-CA 3.2Å; A326-Y330 PolarHBondContact O-N 2.98Å; A326-V337 HydrophobicContact CB-CG2 4.25Å |
| 327 | M | 86.7 | Confident | 88.9 | Confident | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.054 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 179.1 | -67.9 | -62.5 | -73.3 | 0 | 0 | 112.5 | I323 P331 V337 I372 T376 Y377 | I323-M327 HydrophobicContact CG2-CG 4.02Å; I323-M327 WeakPolarHBondContact O-CB 3.21Å; I323-M327 VanDerWaalsContact O-CG 3.22Å; I323-M327 WeakPolarHBondContact O-CG 3.48Å; I323-M327 PolarHBondContact O-N 3.38Å; M327-P331 WeakPolarHBondContact O-CG 3.5Å; M327-V337 HydrophobicContact CG-CG2 4.1Å; M327-V337 HydrophobicContact SD-CB 4.49Å; M327-V337 HydrophobicContact SD-CG1 4.4Å; M327-V337 HydrophobicContact SD-CG2 3.36Å; M327-V337 WeakPolarHBondContact SD-CG2 3.44Å; M327-I372 HydrophobicContact CG-CG2 4.33Å; M327-T376 VanDerWaalsContact CE-CB 3.42Å; M327-T376 HydrophobicContact CE-CG2 3.47Å; M327-T376 VanDerWaalsContact CE-CG2 3.47Å; M327-Y377 HydrophobicContact CE-CD1 4.11Å; M327-Y377 HydrophobicContact CE-CD2 3.81Å; M327-Y377 HydrophobicContact CE-CE1 3.82Å; M327-Y377 HydrophobicContact CE-CE2 3.48Å; M327-Y377 VanDerWaalsContact CE-CE2 3.48Å; M327-Y377 HydrophobicContact CE-CG 4.11Å; M327-Y377 VanDerWaalsContact CE-CZ 3.49Å; M327-Y377 HydrophobicContact SD-CE1 4.3Å; M327-Y377 HydrophobicContact SD-CE2 3.72Å; M327-Y377 VanDerWaalsContact SD-CZ 3.55Å; M327-Y377 PolarHBondContact SD-OH 3.37Å; M327-Y377 VanDerWaalsContact SD-OH 3.37Å |
| 328 | K | 85.9 | Confident | 88.8 | Confident | 76 Ų | 76 | 34.9 Ų | 34.9 | 33% | 0.33 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -77.4 | -40.8 | -177.2 | -80.8 | -175 | 179 | 178.6 | 0 | 113.5 | A275 H279 N324 L325 A326 | A275-K328 HydrophobicContact CB-CB 4.36Å; A275-K328 HydrophobicContact CB-CD 3.85Å; H279-K328 VanDerWaalsContact CE1-CB 3.46Å; H279-K328 WeakPolarHBondContact CE1-CB 3.4Å; H279-K328 PolarHBondContact CE1-O 3.31Å; H279-K328 VanDerWaalsContact CE1-O 3.29Å; N324-K328 WeakPolarHBondContact O-CB 3.42Å; N324-K328 VanDerWaalsContact O-CG 3.3Å; N324-K328 WeakPolarHBondContact O-CG 3.34Å; N324-K328 PolarHBondContact O-N 2.74Å; N324-K328 WeakPolarHBondContact OD1-CE 3.47Å; L325-K328 PolarHBondContact O-N 3.36Å; A326-K328 PolarHBondContact O-N 3.07Å |
| 329 | C | 85.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 14% | 0.142 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -90.9 | -27.2 | -175.4 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | I286 L325 | I286-C329 HydrophobicContact CD1-CB 4.09Å; L325-C329 WeakPolarHBondContact CD1-SG 3.44Å; L325-C329 VanDerWaalsContact O-CB 3.26Å; L325-C329 WeakPolarHBondContact O-CB 3.41Å; L325-C329 PolarHBondContact O-N 3.09Å; L325-C329 PolarHBondContact O-SG 2.87Å; L325-C329 VanDerWaalsContact O-SG 3.39Å |
| 330 | Y | 84.9 | Confident | 88.9 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 21% | 0.212 | 19% | 0.19 | C | C | . | . | trans | -137.2 | 63.4 | -175.8 | -50 | -73.9 | 0 | 0 | 0 | 112.3 | L292 F293 A326 D332 R333 Y336 | L292-Y330 PolarHBondContact N-OH 3.48Å; F293-Y330 HydrophobicContact CB-CD2 4.43Å; F293-Y330 HydrophobicContact CB-CE2 4.07Å; A326-Y330 CarbonylContact O-C 3.46Å; A326-Y330 VanDerWaalsContact O-C 3.25Å; A326-Y330 VanDerWaalsContact O-CA 3.32Å; A326-Y330 WeakPolarHBondContact O-CA 3.2Å; A326-Y330 PolarHBondContact O-N 2.98Å; Y330-D332 PolarHBondContact O-N 2.87Å; Y330-D332 VanDerWaalsContact O-N 3.13Å; Y330-R333 PolarHBondContact O-N 3.44Å; Y330-Y336 HydrophobicContact CD2-CD2 4.07Å; Y330-Y336 HydrophobicContact CD2-CE2 4.16Å; Y330-Y336 HydrophobicContact CG-CD2 4.11Å; Y330-Y336 HydrophobicContact CG-CE2 4.08Å | ||
| 331 | P | 82.9 | Confident | 88.8 | Confident | 77 Ų | 77 | 38.1 Ų | 38.1 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.6 | -178.2 | -21.3 | 30.6 | 0 | 0 | 0 | 114 | M327 R333 | M327-P331 WeakPolarHBondContact O-CG 3.5Å; P331-R333 VanDerWaalsContact C-N 3.27Å; P331-R333 PolarHBondContact O-N 3.07Å |
| 332 | D | 83.5 | Confident | 88.8 | Confident | 154 Ų | 154 | 40.4 Ų | 40.4 | 82% | 0.824 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.1 | -178.1 | -54.5 | -32.2 | 0 | 0 | 0 | 113.2 | Y330 | Y330-D332 PolarHBondContact O-N 2.87Å; Y330-D332 VanDerWaalsContact O-N 3.13Å |
| 333 | R | 85.1 | Confident | 88.6 | Confident | 114 Ų | 114 | 41.3 Ų | 41.3 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | trans | -105 | 78 | -169.4 | -67 | -65.2 | -63.9 | -115.1 | -4.2 | 111.4 | Y330 P331 D335 Y336 | Y330-R333 PolarHBondContact O-N 3.44Å; P331-R333 VanDerWaalsContact C-N 3.27Å; P331-R333 PolarHBondContact O-N 3.07Å; R333-D335 VanDerWaalsContact C-OD1 3.31Å; R333-D335 WeakPolarHBondContact CA-OD1 3.24Å; R333-D335 VanDerWaalsContact CB-OD1 3.3Å; R333-D335 WeakPolarHBondContact CB-OD1 3.46Å; R333-D335 IonicContact CZ-OD1 2.73Å; R333-D335 IonicContact CZ-OD2 3.15Å; R333-D335 IonicContact NE-OD1 3.83Å; R333-D335 PolarHBondContact NE-OD1 3.39Å; R333-D335 IonicContact NE-OD2 3.34Å; R333-D335 PolarHBondContact NE-OD2 2.73Å; R333-D335 IonicContact NH2-OD1 2.74Å; R333-D335 IonicContact NH2-OD2 2.63Å; R333-D335 PolarHBondContact NH2-OD2 3.31Å; R333-D335 PolarHBondContact O-N 3.16Å; R333-Y336 HydrophobicContact CB-CD2 3.59Å; R333-Y336 HydrophobicContact CB-CE2 3.98Å; R333-Y336 HydrophobicContact CB-CG 4.3Å; R333-Y336 HydrophobicContact CG-CD2 4.27Å; R333-Y336 HydrophobicContact CG-CE2 4.14Å; R333-Y336 PolarHBondContact O-N 2.85Å | ||
| 334 | V | 86.4 | Confident | 88.5 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -27.6 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | Y336 V337 D338 Y377 M382 L386 | V334-Y336 VanDerWaalsContact C-N 3.3Å; V334-Y336 PolarHBondContact O-N 3.01Å; V334-V337 PolarHBondContact O-N 3.35Å; V334-D338 PolarHBondContact O-N 2.93Å; V334-Y377 HydrophobicContact CG2-CE1 4.45Å; V334-M382 HydrophobicContact CG2-CE 3.69Å; V334-L386 HydrophobicContact CG1-CD2 3.49Å; V334-L386 VanDerWaalsContact CG1-CD2 3.49Å; V334-L386 HydrophobicContact CG1-CG 4.47Å |
| 335 | D | 89.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.6 | -34.2 | 178 | 59.5 | -51.7 | 0 | 0 | 0 | 113.3 | R333 K339 | R333-D335 VanDerWaalsContact C-OD1 3.31Å; R333-D335 WeakPolarHBondContact CA-OD1 3.24Å; R333-D335 VanDerWaalsContact CB-OD1 3.3Å; R333-D335 WeakPolarHBondContact CB-OD1 3.46Å; R333-D335 IonicContact CZ-OD1 2.73Å; R333-D335 IonicContact CZ-OD2 3.15Å; R333-D335 IonicContact NE-OD1 3.83Å; R333-D335 PolarHBondContact NE-OD1 3.39Å; R333-D335 IonicContact NE-OD2 3.34Å; R333-D335 PolarHBondContact NE-OD2 2.73Å; R333-D335 IonicContact NH2-OD1 2.74Å; R333-D335 IonicContact NH2-OD2 2.63Å; R333-D335 PolarHBondContact NH2-OD2 3.31Å; R333-D335 PolarHBondContact O-N 3.16Å; D335-K339 WeakPolarHBondContact O-CB 3.47Å; D335-K339 PolarHBondContact O-N 3.39Å |
| 336 | Y | 90.6 | Very high | 88.4 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 14% | 0.137 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 175.8 | -69 | -33.1 | 0 | 0 | 0 | 112.1 | F293 Y330 R333 V334 K339 V340 | F293-Y336 HydrophobicContact CB-CD2 4.44Å; F293-Y336 AromaticContact CD1-CD1 3.33Å; F293-Y336 HydrophobicContact CD1-CD1 3.33Å; F293-Y336 HydrophobicContact CD1-CD2 4.4Å; F293-Y336 AromaticContact CD1-CE1 3.74Å; F293-Y336 HydrophobicContact CD1-CE1 3.74Å; F293-Y336 AromaticContact CD1-CG 3.7Å; F293-Y336 HydrophobicContact CD1-CG 3.7Å; F293-Y336 HydrophobicContact CD2-CG 4.41Å; F293-Y336 AromaticContact CE1-CD1 3.53Å; F293-Y336 HydrophobicContact CE1-CD1 3.53Å; F293-Y336 HydrophobicContact CE1-CE1 4.27Å; F293-Y336 AromaticContact CE1-CG 3.97Å; F293-Y336 HydrophobicContact CE1-CG 3.97Å; F293-Y336 HydrophobicContact CG-CD1 4.04Å; F293-Y336 HydrophobicContact CG-CD2 4.31Å; F293-Y336 HydrophobicContact CG-CE1 4.48Å; F293-Y336 AromaticContact CG-CG 3.94Å; F293-Y336 HydrophobicContact CG-CG 3.94Å; F293-Y336 HydrophobicContact CZ-CD1 4.36Å; F293-Y336 HydrophobicContact CZ-CG 4.43Å; F293-Y336 VanDerWaalsContact CZ-O 3.24Å; F293-Y336 WeakPolarHBondContact CZ-O 3.4Å; Y330-Y336 HydrophobicContact CD2-CD2 4.07Å; Y330-Y336 HydrophobicContact CD2-CE2 4.16Å; Y330-Y336 HydrophobicContact CG-CD2 4.11Å; Y330-Y336 HydrophobicContact CG-CE2 4.08Å; R333-Y336 HydrophobicContact CB-CD2 3.59Å; R333-Y336 HydrophobicContact CB-CE2 3.98Å; R333-Y336 HydrophobicContact CB-CG 4.3Å; R333-Y336 HydrophobicContact CG-CD2 4.27Å; R333-Y336 HydrophobicContact CG-CE2 4.14Å; R333-Y336 PolarHBondContact O-N 2.85Å; V334-Y336 VanDerWaalsContact C-N 3.3Å; V334-Y336 PolarHBondContact O-N 3.01Å; Y336-K339 PolarHBondContact O-N 3.07Å; Y336-V340 WeakPolarHBondContact O-CG2 3.4Å; Y336-V340 PolarHBondContact O-N 2.79Å; Y336-V340 VanDerWaalsContact O-N 3.08Å |
| 337 | V | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 110 | I323 A326 M327 V334 K339 V340 L341 P373 L386 | I323-V337 HydrophobicContact CG2-CG1 4.41Å; A326-V337 HydrophobicContact CB-CG2 4.25Å; M327-V337 HydrophobicContact CG-CG2 4.1Å; M327-V337 HydrophobicContact SD-CB 4.49Å; M327-V337 HydrophobicContact SD-CG1 4.4Å; M327-V337 HydrophobicContact SD-CG2 3.36Å; M327-V337 WeakPolarHBondContact SD-CG2 3.44Å; V334-V337 PolarHBondContact O-N 3.35Å; V337-K339 PolarHBondContact O-N 3.05Å; V337-V340 PolarHBondContact O-N 2.95Å; V337-V340 VanDerWaalsContact O-N 3.16Å; V337-L341 WeakPolarHBondContact O-CG 3.13Å; V337-L341 PolarHBondContact O-N 3.17Å; V337-L341 VanDerWaalsContact O-N 3.09Å; V337-P373 HydrophobicContact CG1-CG 4.25Å; V337-L386 HydrophobicContact CB-CD2 4.45Å; V337-L386 HydrophobicContact CG1-CD1 4.34Å; V337-L386 HydrophobicContact CG1-CD2 4.36Å |
| 338 | D | 91.1 | Very high | 88.1 | Confident | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -35.1 | 176.8 | -163.7 | 58.9 | 0 | 0 | 0 | 111.7 | V334 L341 E342 L386 K387 H388 | V334-D338 PolarHBondContact O-N 2.93Å; D338-L341 PolarHBondContact O-N 3.35Å; D338-E342 WeakPolarHBondContact O-CB 3.47Å; D338-E342 PolarHBondContact O-N 3.14Å; D338-L386 HydrophobicContact CB-CD2 3.86Å; D338-L386 WeakPolarHBondContact OD1-CA 3.38Å; D338-K387 PolarHBondContact OD1-N 3.25Å; D338-H388 VanDerWaalsContact CG-ND1 3.34Å; D338-H388 IonicContact OD1-CG 3.46Å; D338-H388 PolarHBondContact OD1-N 3.38Å; D338-H388 IonicContact OD1-ND1 3.77Å; D338-H388 PolarHBondContact OD1-ND1 2.87Å; D338-H388 IonicContact OD2-CE1 3.19Å; D338-H388 IonicContact OD2-ND1 2.96Å; D338-H388 PolarHBondContact OD2-ND1 2.87Å |
| 339 | K | 91 | Very high | 88.1 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -37.7 | 175.8 | -169.3 | 51.5 | 168.3 | 172.2 | 0 | 113.1 | F293 D335 Y336 V337 L341 E342 S343 | F293-K339 HydrophobicContact CE1-CB 4.43Å; F293-K339 HydrophobicContact CZ-CB 4.38Å; D335-K339 WeakPolarHBondContact O-CB 3.47Å; D335-K339 PolarHBondContact O-N 3.39Å; Y336-K339 PolarHBondContact O-N 3.07Å; V337-K339 PolarHBondContact O-N 3.05Å; K339-L341 VanDerWaalsContact C-N 3.35Å; K339-E342 HydrophobicContact CD-CB 4.48Å; K339-E342 WeakPolarHBondContact CD-OE2 3.48Å; K339-E342 WeakPolarHBondContact CE-OE2 3.37Å; K339-E342 IonicContact NZ-OE1 2.94Å; K339-E342 PolarHBondContact NZ-OE1 3.35Å; K339-E342 IonicContact NZ-OE2 3.22Å; K339-E342 PolarHBondContact NZ-OE2 3.2Å; K339-E342 PolarHBondContact O-N 3Å; K339-S343 PolarHBondContact O-N 3.29Å; K339-S343 PolarHBondContact O-OG 3.09Å |
| 340 | V | 92.3 | Very high | 88 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | F293 Q319 L322 I323 Y336 V337 S343 T344 | F293-V340 HydrophobicContact CE2-CG2 3.34Å; F293-V340 HydrophobicContact CZ-CG2 3.49Å; F293-V340 VanDerWaalsContact CZ-CG2 3.49Å; Q319-V340 HydrophobicContact CB-CG1 4.22Å; L322-V340 HydrophobicContact CB-CG1 4.17Å; L322-V340 HydrophobicContact CB-CG2 4.11Å; I323-V340 HydrophobicContact CD1-CB 4.37Å; I323-V340 HydrophobicContact CD1-CG1 4.05Å; I323-V340 HydrophobicContact CG1-CB 3.73Å; I323-V340 HydrophobicContact CG1-CG1 3.38Å; I323-V340 HydrophobicContact CG1-CG2 4.27Å; Y336-V340 WeakPolarHBondContact O-CG2 3.4Å; Y336-V340 PolarHBondContact O-N 2.79Å; Y336-V340 VanDerWaalsContact O-N 3.08Å; V337-V340 PolarHBondContact O-N 2.95Å; V337-V340 VanDerWaalsContact O-N 3.16Å; V340-S343 PolarHBondContact O-N 3.45Å; V340-T344 WeakPolarHBondContact O-CB 3.33Å; V340-T344 PolarHBondContact O-N 3.25Å; V340-T344 PolarHBondContact O-OG1 2.72Å |
| 341 | L | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176 | -61.6 | 174.6 | 0 | 0 | 0 | 111 | I323 V337 D338 K339 S343 T344 V345 L369 L370 L386 H388 F389 L392 | I323-L341 HydrophobicContact CD1-CD2 3.66Å; I323-L341 HydrophobicContact CD1-CG 4.32Å; V337-L341 WeakPolarHBondContact O-CG 3.13Å; V337-L341 PolarHBondContact O-N 3.17Å; V337-L341 VanDerWaalsContact O-N 3.09Å; D338-L341 PolarHBondContact O-N 3.35Å; K339-L341 VanDerWaalsContact C-N 3.35Å; L341-S343 PolarHBondContact O-N 3.45Å; L341-T344 WeakPolarHBondContact O-CB 3.43Å; L341-T344 PolarHBondContact O-N 2.9Å; L341-T344 VanDerWaalsContact O-N 3.11Å; L341-V345 WeakPolarHBondContact O-CG2 3.44Å; L341-V345 PolarHBondContact O-N 3.34Å; L341-L369 HydrophobicContact CD2-CD2 3.53Å; L341-L370 HydrophobicContact CD2-CD2 4.24Å; L341-L386 HydrophobicContact CD1-CB 4.18Å; L341-L386 HydrophobicContact CD1-CD1 3.93Å; L341-L386 HydrophobicContact CD1-CG 4.47Å; L341-H388 HydrophobicContact CB-CB 3.92Å; L341-F389 HydrophobicContact CD1-CB 4.06Å; L341-F389 HydrophobicContact CD1-CD2 4.22Å; L341-L392 HydrophobicContact CB-CD1 4.06Å; L341-L392 HydrophobicContact CD2-CD1 3.54Å; L341-L392 HydrophobicContact CG-CD1 4.35Å |
| 342 | E | 91.9 | Very high | 87.8 | Confident | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.8 | -51.3 | 174 | -174.9 | -171.8 | 170.1 | 0 | 0 | 111.2 | D338 K339 T344 V345 E346 H388 | D338-E342 WeakPolarHBondContact O-CB 3.47Å; D338-E342 PolarHBondContact O-N 3.14Å; K339-E342 HydrophobicContact CD-CB 4.48Å; K339-E342 WeakPolarHBondContact CD-OE2 3.48Å; K339-E342 WeakPolarHBondContact CE-OE2 3.37Å; K339-E342 IonicContact NZ-OE1 2.94Å; K339-E342 PolarHBondContact NZ-OE1 3.35Å; K339-E342 IonicContact NZ-OE2 3.22Å; K339-E342 PolarHBondContact NZ-OE2 3.2Å; K339-E342 PolarHBondContact O-N 3Å; E342-T344 PolarHBondContact O-N 3.01Å; E342-V345 WeakPolarHBondContact O-CB 3.42Å; E342-V345 PolarHBondContact O-N 3.4Å; E342-V345 VanDerWaalsContact O-N 3.16Å; E342-E346 WeakPolarHBondContact O-CG 3.46Å; E342-E346 PolarHBondContact O-N 3.33Å; E342-H388 HydrophobicContact CB-CB 4.37Å |
| 343 | S | 88.8 | Confident | 87.4 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -32.9 | 176.6 | -69.7 | 0 | 0 | 0 | 0 | 112.8 | K339 V340 L341 E346 I347 | K339-S343 PolarHBondContact O-N 3.29Å; K339-S343 PolarHBondContact O-OG 3.09Å; V340-S343 PolarHBondContact O-N 3.45Å; L341-S343 PolarHBondContact O-N 3.45Å; S343-E346 PolarHBondContact O-N 3.11Å; S343-I347 WeakPolarHBondContact O-CB 3.45Å; S343-I347 WeakPolarHBondContact O-CD1 3.49Å; S343-I347 WeakPolarHBondContact O-CG1 3.2Å; S343-I347 PolarHBondContact O-N 3.27Å |
| 344 | T | 89.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | V340 L341 E342 I347 F348 L369 L392 | V340-T344 WeakPolarHBondContact O-CB 3.33Å; V340-T344 PolarHBondContact O-N 3.25Å; V340-T344 PolarHBondContact O-OG1 2.72Å; L341-T344 WeakPolarHBondContact O-CB 3.43Å; L341-T344 PolarHBondContact O-N 2.9Å; L341-T344 VanDerWaalsContact O-N 3.11Å; E342-T344 PolarHBondContact O-N 3.01Å; T344-I347 PolarHBondContact O-N 3.16Å; T344-F348 HydrophobicContact CG2-CD2 3.92Å; T344-F348 HydrophobicContact CG2-CE2 3.5Å; T344-F348 HydrophobicContact CG2-CZ 4.26Å; T344-F348 VanDerWaalsContact O-CD2 3.29Å; T344-F348 WeakPolarHBondContact O-CD2 3.38Å; T344-F348 PolarHBondContact O-N 3.02Å; T344-L369 HydrophobicContact CG2-CD1 4.16Å; T344-L392 HydrophobicContact CG2-CD2 4Å |
| 345 | V | 89.6 | Confident | 86.1 | Confident | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 172.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L341 E342 I347 F348 N349 P391 L392 | L341-V345 WeakPolarHBondContact O-CG2 3.44Å; L341-V345 PolarHBondContact O-N 3.34Å; E342-V345 WeakPolarHBondContact O-CB 3.42Å; E342-V345 PolarHBondContact O-N 3.4Å; E342-V345 VanDerWaalsContact O-N 3.16Å; V345-I347 VanDerWaalsContact C-N 3.31Å; V345-I347 PolarHBondContact O-N 3.24Å; V345-F348 PolarHBondContact O-N 3.35Å; V345-N349 WeakPolarHBondContact O-CB 3.41Å; V345-N349 PolarHBondContact O-N 3.06Å; V345-N349 PolarHBondContact O-ND2 3.4Å; V345-P391 HydrophobicContact CG2-CB 4.32Å; V345-L392 HydrophobicContact CB-CD2 4.48Å; V345-L392 HydrophobicContact CG2-CD1 4.47Å; V345-L392 HydrophobicContact CG2-CD2 3.47Å; V345-L392 VanDerWaalsContact CG2-CD2 3.47Å; V345-L392 HydrophobicContact CG2-CG 3.66Å |
| 346 | E | 87.9 | Confident | 85.9 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 176.1 | -70.4 | 177.1 | 167.1 | 0 | 0 | 112.3 | E342 S343 K350 | E342-E346 WeakPolarHBondContact O-CG 3.46Å; E342-E346 PolarHBondContact O-N 3.33Å; S343-E346 PolarHBondContact O-N 3.11Å; E346-K350 WeakPolarHBondContact O-CB 3.4Å; E346-K350 PolarHBondContact O-N 2.93Å |
| 347 | I | 85.1 | Confident | 85.5 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -48 | 175.8 | -71.8 | 163.2 | 0 | 0 | 0 | 110.5 | I315 Q319 S343 T344 V345 N349 K350 L351 | I315-I347 HydrophobicContact CG2-CD1 4.05Å; I315-I347 HydrophobicContact CG2-CG2 3.86Å; Q319-I347 HydrophobicContact CG-CD1 4.34Å; S343-I347 WeakPolarHBondContact O-CB 3.45Å; S343-I347 WeakPolarHBondContact O-CD1 3.49Å; S343-I347 WeakPolarHBondContact O-CG1 3.2Å; S343-I347 PolarHBondContact O-N 3.27Å; T344-I347 PolarHBondContact O-N 3.16Å; V345-I347 VanDerWaalsContact C-N 3.31Å; V345-I347 PolarHBondContact O-N 3.24Å; I347-N349 PolarHBondContact O-N 3.33Å; I347-K350 PolarHBondContact O-N 3.33Å; I347-L351 HydrophobicContact CG2-CD1 3.77Å; I347-L351 HydrophobicContact CG2-CG 4.38Å; I347-L351 WeakPolarHBondContact O-CB 3.37Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.44Å; I347-L351 PolarHBondContact O-N 3.2Å |
| 348 | F | 85.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 178.7 | -74.7 | -48.5 | 0 | 0 | 0 | 112.5 | V316 T344 V345 K350 L351 N352 L353 I356 V362 L366 L392 Y395 | V316-F348 HydrophobicContact CG2-CE1 3.93Å; V316-F348 HydrophobicContact CG2-CZ 3.69Å; T344-F348 HydrophobicContact CG2-CD2 3.92Å; T344-F348 HydrophobicContact CG2-CE2 3.5Å; T344-F348 HydrophobicContact CG2-CZ 4.26Å; T344-F348 VanDerWaalsContact O-CD2 3.29Å; T344-F348 WeakPolarHBondContact O-CD2 3.38Å; T344-F348 PolarHBondContact O-N 3.02Å; V345-F348 PolarHBondContact O-N 3.35Å; F348-K350 VanDerWaalsContact C-N 3.32Å; F348-K350 PolarHBondContact O-N 3.3Å; F348-L351 PolarHBondContact O-N 2.94Å; F348-N352 PolarHBondContact O-N 3.34Å; F348-N352 VanDerWaalsContact O-N 3.08Å; F348-L353 HydrophobicContact CD1-CB 4.42Å; F348-L353 HydrophobicContact CD1-CD1 3.66Å; F348-L353 HydrophobicContact CE1-CD1 4.03Å; F348-L353 PolarHBondContact O-N 3.33Å; F348-I356 HydrophobicContact CD1-CD1 4.45Å; F348-I356 HydrophobicContact CE1-CD1 4Å; F348-I356 HydrophobicContact CZ-CD1 4.26Å; F348-V362 HydrophobicContact CE1-CG1 3.94Å; F348-V362 HydrophobicContact CZ-CG1 4.28Å; F348-L366 HydrophobicContact CE2-CD1 3.82Å; F348-L366 HydrophobicContact CE2-CD2 4.04Å; F348-L366 HydrophobicContact CZ-CD1 4.16Å; F348-L366 HydrophobicContact CZ-CD2 4.11Å; F348-L392 HydrophobicContact CD2-CD2 3.88Å; F348-L392 HydrophobicContact CE2-CD2 3.97Å; F348-Y395 HydrophobicContact CB-CD1 4.29Å; F348-Y395 HydrophobicContact CB-CE1 3.91Å; F348-Y395 HydrophobicContact CB-CE2 4.22Å; F348-Y395 HydrophobicContact CD2-CD2 4.17Å; F348-Y395 HydrophobicContact CD2-CE2 4.3Å |
| 349 | N | 86.8 | Confident | 84.8 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 174.3 | -75.3 | -30.5 | 0 | 0 | 0 | 112 | V345 I347 L351 N352 Y395 | V345-N349 WeakPolarHBondContact O-CB 3.41Å; V345-N349 PolarHBondContact O-N 3.06Å; V345-N349 PolarHBondContact O-ND2 3.4Å; I347-N349 PolarHBondContact O-N 3.33Å; N349-L351 VanDerWaalsContact C-N 3.35Å; N349-N352 PolarHBondContact O-N 3.49Å; N349-Y395 VanDerWaalsContact CG-OH 3.3Å; N349-Y395 PolarHBondContact ND2-OH 3.16Å; N349-Y395 PolarHBondContact OD1-OH 3.32Å |
| 350 | K | 84.8 | Confident | 84.8 | Confident | 173 Ų | 173 | 60.5 Ų | 60.5 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68.6 | -33.5 | 177.7 | -172.6 | 177.1 | 179.6 | -177.4 | 0 | 112.9 | E346 I347 F348 | E346-K350 WeakPolarHBondContact O-CB 3.4Å; E346-K350 PolarHBondContact O-N 2.93Å; I347-K350 PolarHBondContact O-N 3.33Å; F348-K350 VanDerWaalsContact C-N 3.32Å; F348-K350 PolarHBondContact O-N 3.3Å |
| 351 | L | 79.5 | Confident | 84.6 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.6 | -6.1 | 176.4 | -66.7 | 174.1 | 0 | 0 | 0 | 112.9 | I347 F348 N349 L353 | I347-L351 HydrophobicContact CG2-CD1 3.77Å; I347-L351 HydrophobicContact CG2-CG 4.38Å; I347-L351 WeakPolarHBondContact O-CB 3.37Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.44Å; I347-L351 PolarHBondContact O-N 3.2Å; F348-L351 PolarHBondContact O-N 2.94Å; N349-L351 VanDerWaalsContact C-N 3.35Å; L351-L353 HydrophobicContact CB-CD1 3.88Å; L351-L353 HydrophobicContact CB-CG 3.92Å; L351-L353 HydrophobicContact CD1-CD1 4.02Å; L351-L353 PolarHBondContact O-N 3.11Å |
| 352 | N | 82.4 | Confident | 84.5 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 65% | 0.647 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42 | -177.8 | -155.7 | 69.2 | 0 | 0 | 0 | 112.5 | F348 N349 | F348-N352 PolarHBondContact O-N 3.34Å; F348-N352 VanDerWaalsContact O-N 3.08Å; N349-N352 PolarHBondContact O-N 3.49Å |
| 353 | L | 76.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | trans | -86.3 | 114.8 | 175.4 | -69.8 | 169.6 | 0 | 0 | 0 | 108.3 | F348 L351 Y395 | F348-L353 HydrophobicContact CD1-CB 4.42Å; F348-L353 HydrophobicContact CD1-CD1 3.66Å; F348-L353 HydrophobicContact CE1-CD1 4.03Å; F348-L353 PolarHBondContact O-N 3.33Å; L351-L353 HydrophobicContact CB-CD1 3.88Å; L351-L353 HydrophobicContact CB-CG 3.92Å; L351-L353 HydrophobicContact CD1-CD1 4.02Å; L351-L353 PolarHBondContact O-N 3.11Å; L353-Y395 VanDerWaalsContact O-CD1 3.23Å; L353-Y395 WeakPolarHBondContact O-CD1 3.43Å; L353-Y395 WeakPolarHBondContact O-CE1 3.43Å | ||
| 354 | E | 66.2 | Low | 84.5 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | trans | -102 | -43.8 | -178 | -69.7 | 178.5 | 177.3 | 0 | 0 | 112.3 | ||||
| 355 | H | 78 | Confident | 84.6 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | trans | -133.6 | 114.5 | 179.8 | -80.5 | -72.1 | 0 | 0 | 0 | 112 | ||||
| 356 | I | 83.3 | Confident | 84.7 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -99 | 108.2 | 179.2 | -53.4 | 170.9 | 0 | 0 | 0 | 108.7 | F348 V362 L366 Y395 D397 | F348-I356 HydrophobicContact CD1-CD1 4.45Å; F348-I356 HydrophobicContact CE1-CD1 4Å; F348-I356 HydrophobicContact CZ-CD1 4.26Å; I356-V362 HydrophobicContact CD1-CG1 3.98Å; I356-V362 HydrophobicContact CG2-CB 4.06Å; I356-V362 HydrophobicContact CG2-CG1 4.25Å; I356-L366 HydrophobicContact CD1-CD2 4.21Å; I356-Y395 WeakPolarHBondContact CB-O 3.49Å; I356-Y395 PolarHBondContact N-O 3.45Å; I356-D397 PolarHBondContact O-N 3.32Å |
| 357 | A | 84 | Confident | 84.8 | Confident | 48 Ų | 48 | 64 Ų | 64 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | trans | -64.9 | 146.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S359 S360 S363 | A357-S359 PolarHBondContact O-N 3.29Å; A357-S359 VanDerWaalsContact O-N 3.16Å; A357-S360 WeakPolarHBondContact O-CB 3.49Å; A357-S360 PolarHBondContact O-N 2.88Å; A357-S363 WeakPolarHBondContact O-CB 3.28Å | ||
| 358 | T | 83.7 | Confident | 85.2 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.7 | 179.9 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | S360 D397 S400 | T358-S360 PolarHBondContact O-N 3.43Å; T358-D397 WeakPolarHBondContact CB-OD2 3.45Å; T358-D397 PolarHBondContact N-OD2 2.95Å; T358-D397 PolarHBondContact OG1-OD1 2.94Å; T358-D397 PolarHBondContact OG1-OD2 3.42Å; T358-S400 PolarHBondContact OG1-OG 3.28Å |
| 359 | S | 83.4 | Confident | 85.6 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.9 | 178.4 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | A357 | A357-S359 PolarHBondContact O-N 3.29Å; A357-S359 VanDerWaalsContact O-N 3.16Å |
| 360 | S | 89.3 | Confident | 85.8 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -69.8 | 140.7 | -179.7 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | A357 T358 V362 S363 K364 | A357-S360 WeakPolarHBondContact O-CB 3.49Å; A357-S360 PolarHBondContact O-N 2.88Å; T358-S360 PolarHBondContact O-N 3.43Å; S360-V362 PolarHBondContact O-N 2.76Å; S360-V362 PolarHBondContact OG-N 3.3Å; S360-S363 PolarHBondContact O-N 3.23Å; S360-S363 VanDerWaalsContact O-N 3.14Å; S360-K364 PolarHBondContact O-N 3.42Å |
| 361 | A | 89 | Confident | 86.1 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -32.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E313 S363 K364 E365 | E313-A361 HydrophobicContact CB-CB 4.01Å; E313-A361 HydrophobicContact CG-CB 4.19Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.18Å; A361-K364 PolarHBondContact O-N 3.48Å; A361-E365 PolarHBondContact O-N 2.86Å; A361-E365 VanDerWaalsContact O-N 3.09Å |
| 362 | V | 89.6 | Confident | 86.6 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | E313 V316 F348 I356 S360 K364 E365 L366 | E313-V362 HydrophobicContact CB-CG2 4.12Å; V316-V362 HydrophobicContact CG2-CG1 4.2Å; F348-V362 HydrophobicContact CE1-CG1 3.94Å; F348-V362 HydrophobicContact CZ-CG1 4.28Å; I356-V362 HydrophobicContact CD1-CG1 3.98Å; I356-V362 HydrophobicContact CG2-CB 4.06Å; I356-V362 HydrophobicContact CG2-CG1 4.25Å; S360-V362 PolarHBondContact O-N 2.76Å; S360-V362 PolarHBondContact OG-N 3.3Å; V362-K364 VanDerWaalsContact C-N 3.33Å; V362-K364 PolarHBondContact O-N 3.01Å; V362-E365 PolarHBondContact O-N 3.49Å; V362-L366 VanDerWaalsContact O-CB 3.31Å; V362-L366 WeakPolarHBondContact O-CB 3.23Å; V362-L366 PolarHBondContact O-N 3.16Å |
| 363 | S | 90.2 | Very high | 87 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | A357 S360 A361 L366 T367 S400 | A357-S363 WeakPolarHBondContact O-CB 3.28Å; S360-S363 PolarHBondContact O-N 3.23Å; S360-S363 VanDerWaalsContact O-N 3.14Å; A361-S363 VanDerWaalsContact C-N 3.34Å; A361-S363 PolarHBondContact O-N 3.18Å; S363-L366 PolarHBondContact O-N 2.94Å; S363-T367 VanDerWaalsContact O-CB 3.31Å; S363-T367 WeakPolarHBondContact O-CB 3.39Å; S363-T367 PolarHBondContact O-N 3Å; S363-T367 PolarHBondContact O-OG1 2.55Å; S363-S400 PolarHBondContact OG-OG 3.34Å; S363-S400 VanDerWaalsContact OG-OG 3.07Å |
| 364 | K | 90.6 | Very high | 87.6 | Confident | 139 Ų | 139 | 47 Ų | 47 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 178.1 | -65.1 | -178.9 | -178.1 | 177.6 | 0 | 112 | S360 A361 V362 T367 R368 | S360-K364 PolarHBondContact O-N 3.42Å; A361-K364 PolarHBondContact O-N 3.48Å; V362-K364 VanDerWaalsContact C-N 3.33Å; V362-K364 PolarHBondContact O-N 3.01Å; K364-T367 PolarHBondContact O-N 3.47Å; K364-R368 WeakPolarHBondContact O-CB 3.45Å; K364-R368 PolarHBondContact O-N 3.26Å |
| 365 | E | 90.4 | Very high | 88.6 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -38.7 | 177.1 | -71.2 | -57.7 | 141.4 | 0 | 0 | 112.2 | V316 A361 V362 R368 L369 | V316-E365 HydrophobicContact CB-CB 4.16Å; V316-E365 HydrophobicContact CG1-CB 3.76Å; A361-E365 PolarHBondContact O-N 2.86Å; A361-E365 VanDerWaalsContact O-N 3.09Å; V362-E365 PolarHBondContact O-N 3.49Å; E365-R368 WeakPolarHBondContact O-CB 3.43Å; E365-R368 PolarHBondContact O-N 3.45Å; E365-R368 IonicContact OE1-NE 3.46Å; E365-R368 IonicContact OE2-CZ 2.8Å; E365-R368 VanDerWaalsContact OE2-CZ 3.23Å; E365-R368 IonicContact OE2-NE 2.97Å; E365-R368 PolarHBondContact OE2-NE 3.36Å; E365-R368 IonicContact OE2-NH2 3.17Å; E365-R368 PolarHBondContact OE2-NH2 3.33Å; E365-L369 WeakPolarHBondContact O-CB 3.43Å; E365-L369 PolarHBondContact O-N 3.12Å |
| 366 | L | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 174.8 | -177.2 | 58.1 | 0 | 0 | 0 | 111.8 | F348 I356 V362 S363 R368 L369 L370 L392 F396 | F348-L366 HydrophobicContact CE2-CD1 3.82Å; F348-L366 HydrophobicContact CE2-CD2 4.04Å; F348-L366 HydrophobicContact CZ-CD1 4.16Å; F348-L366 HydrophobicContact CZ-CD2 4.11Å; I356-L366 HydrophobicContact CD1-CD2 4.21Å; V362-L366 VanDerWaalsContact O-CB 3.31Å; V362-L366 WeakPolarHBondContact O-CB 3.23Å; V362-L366 PolarHBondContact O-N 3.16Å; S363-L366 PolarHBondContact O-N 2.94Å; L366-R368 VanDerWaalsContact C-N 3.33Å; L366-R368 PolarHBondContact O-N 3.35Å; L366-L369 WeakPolarHBondContact O-CB 3.4Å; L366-L369 PolarHBondContact O-N 3.1Å; L366-L370 HydrophobicContact CD1-CD1 4.29Å; L366-L370 HydrophobicContact CD1-CG 4.4Å; L366-L370 HydrophobicContact CG-CD1 4.28Å; L366-L370 WeakPolarHBondContact O-CG 3.17Å; L366-L370 PolarHBondContact O-N 3.46Å; L366-L392 HydrophobicContact CD1-CD2 4.42Å; L366-F396 HydrophobicContact CB-CE1 3.96Å; L366-F396 HydrophobicContact CB-CZ 4.05Å; L366-F396 HydrophobicContact CD2-CD1 4.08Å; L366-F396 HydrophobicContact CD2-CE1 3.66Å; L366-F396 HydrophobicContact CD2-CE2 4.27Å; L366-F396 HydrophobicContact CD2-CZ 3.77Å; L366-F396 HydrophobicContact CG-CE1 3.78Å; L366-F396 HydrophobicContact CG-CE2 4.26Å; L366-F396 HydrophobicContact CG-CZ 3.54Å |
| 367 | T | 91.9 | Very high | 88.8 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 173.1 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | S363 K364 L369 L370 K371 M404 | S363-T367 VanDerWaalsContact O-CB 3.31Å; S363-T367 WeakPolarHBondContact O-CB 3.39Å; S363-T367 PolarHBondContact O-N 3Å; S363-T367 PolarHBondContact O-OG1 2.55Å; K364-T367 PolarHBondContact O-N 3.47Å; T367-L369 VanDerWaalsContact C-N 3.32Å; T367-L369 PolarHBondContact O-N 3.47Å; T367-L370 PolarHBondContact O-N 3.11Å; T367-K371 HydrophobicContact CG2-CD 4.24Å; T367-K371 HydrophobicContact CG2-CG 4.47Å; T367-K371 WeakPolarHBondContact O-CB 3.48Å; T367-K371 VanDerWaalsContact O-CG 3.29Å; T367-K371 WeakPolarHBondContact O-CG 3.49Å; T367-K371 PolarHBondContact O-N 3.45Å; T367-M404 HydrophobicContact CG2-SD 4.34Å |
| 368 | R | 93 | Very high | 88.3 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 40% | 0.404 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 175.7 | -170.2 | 174.5 | 72.7 | 106.8 | -3.4 | 111.9 | V320 K364 E365 L366 K371 I372 | V320-R368 HydrophobicContact CG1-CG 4.49Å; V320-R368 VanDerWaalsContact CG1-NH1 3.32Å; V320-R368 VanDerWaalsContact CG1-NH2 3.29Å; K364-R368 WeakPolarHBondContact O-CB 3.45Å; K364-R368 PolarHBondContact O-N 3.26Å; E365-R368 WeakPolarHBondContact O-CB 3.43Å; E365-R368 PolarHBondContact O-N 3.45Å; E365-R368 IonicContact OE1-NE 3.46Å; E365-R368 IonicContact OE2-CZ 2.8Å; E365-R368 VanDerWaalsContact OE2-CZ 3.23Å; E365-R368 IonicContact OE2-NE 2.97Å; E365-R368 PolarHBondContact OE2-NE 3.36Å; E365-R368 IonicContact OE2-NH2 3.17Å; E365-R368 PolarHBondContact OE2-NH2 3.33Å; L366-R368 VanDerWaalsContact C-N 3.33Å; L366-R368 PolarHBondContact O-N 3.35Å; R368-K371 PolarHBondContact O-N 3.02Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 3.08Å |
| 369 | L | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 177.4 | -171.9 | 155 | 0 | 0 | 0 | 111.5 | V316 Q319 V320 I323 L341 T344 E365 L366 T367 P373 | V316-L369 HydrophobicContact CG1-CD1 4.05Å; Q319-L369 HydrophobicContact CB-CD1 3.75Å; V320-L369 HydrophobicContact CG2-CB 3.68Å; V320-L369 HydrophobicContact CG2-CD1 4.25Å; V320-L369 HydrophobicContact CG2-CG 4.2Å; I323-L369 HydrophobicContact CD1-CD1 4.36Å; I323-L369 HydrophobicContact CD1-CD2 3.44Å; I323-L369 VanDerWaalsContact CD1-CD2 3.44Å; I323-L369 HydrophobicContact CD1-CG 3.66Å; L341-L369 HydrophobicContact CD2-CD2 3.53Å; T344-L369 HydrophobicContact CG2-CD1 4.16Å; E365-L369 WeakPolarHBondContact O-CB 3.43Å; E365-L369 PolarHBondContact O-N 3.12Å; L366-L369 WeakPolarHBondContact O-CB 3.4Å; L366-L369 PolarHBondContact O-N 3.1Å; T367-L369 VanDerWaalsContact C-N 3.32Å; T367-L369 PolarHBondContact O-N 3.47Å; L369-P373 WeakPolarHBondContact O-CD 3.13Å |
| 370 | L | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.6 | -24.5 | -176.8 | -64.5 | 169.9 | 0 | 0 | 0 | 113.5 | L341 L366 T367 P373 V374 F389 L392 F393 F396 M404 | L341-L370 HydrophobicContact CD2-CD2 4.24Å; L366-L370 HydrophobicContact CD1-CD1 4.29Å; L366-L370 HydrophobicContact CD1-CG 4.4Å; L366-L370 HydrophobicContact CG-CD1 4.28Å; L366-L370 WeakPolarHBondContact O-CG 3.17Å; L366-L370 PolarHBondContact O-N 3.46Å; T367-L370 PolarHBondContact O-N 3.11Å; L370-P373 WeakPolarHBondContact O-CD 3.15Å; L370-V374 WeakPolarHBondContact O-CG2 3.44Å; L370-F389 HydrophobicContact CB-CE2 4.04Å; L370-F389 HydrophobicContact CB-CZ 4.33Å; L370-F389 HydrophobicContact CD2-CD2 3.67Å; L370-F389 HydrophobicContact CD2-CE2 3.56Å; L370-F389 HydrophobicContact CD2-CG 4.43Å; L370-F389 HydrophobicContact CD2-CZ 4.25Å; L370-F389 HydrophobicContact CG-CE2 4.38Å; L370-L392 HydrophobicContact CD1-CB 4.33Å; L370-L392 HydrophobicContact CD2-CB 4.14Å; L370-L392 HydrophobicContact CD2-CD1 3.8Å; L370-F393 HydrophobicContact CD1-CD2 4.31Å; L370-F393 HydrophobicContact CD1-CE2 4.02Å; L370-F396 HydrophobicContact CD1-CE2 3.41Å; L370-F396 VanDerWaalsContact CD1-CE2 3.41Å; L370-F396 HydrophobicContact CD1-CZ 3.84Å; L370-M404 HydrophobicContact CB-CE 3.76Å; L370-M404 HydrophobicContact CB-SD 4.46Å |
| 371 | K | 91.2 | Very high | 87.3 | Confident | 61 Ų | 61 | 39.4 Ų | 39.4 | 27% | 0.265 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.6 | -35.3 | 173.6 | -77.3 | -173.5 | 174.1 | -169.1 | 0 | 112.9 | T367 R368 V374 D375 M404 Y407 | T367-K371 HydrophobicContact CG2-CD 4.24Å; T367-K371 HydrophobicContact CG2-CG 4.47Å; T367-K371 WeakPolarHBondContact O-CB 3.48Å; T367-K371 VanDerWaalsContact O-CG 3.29Å; T367-K371 WeakPolarHBondContact O-CG 3.49Å; T367-K371 PolarHBondContact O-N 3.45Å; R368-K371 PolarHBondContact O-N 3.02Å; K371-V374 WeakPolarHBondContact O-CB 3.47Å; K371-V374 PolarHBondContact O-N 3.24Å; K371-V374 VanDerWaalsContact O-N 3.07Å; K371-D375 VanDerWaalsContact O-CG 3.24Å; K371-D375 PolarHBondContact O-N 3.04Å; K371-M404 HydrophobicContact CG-CE 3.98Å; K371-M404 HydrophobicContact CG-SD 3.98Å; K371-Y407 HydrophobicContact CB-CE1 4.19Å; K371-Y407 HydrophobicContact CD-CD1 4.29Å; K371-Y407 HydrophobicContact CD-CE1 3.94Å; K371-Y407 HydrophobicContact CD-CE2 4.22Å; K371-Y407 HydrophobicContact CG-CD1 3.9Å; K371-Y407 HydrophobicContact CG-CE1 3.64Å |
| 372 | I | 90.6 | Very high | 86.8 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.5 | -51.1 | -176.7 | -69.8 | 160.9 | 0 | 0 | 0 | 112.7 | V320 I323 M327 R368 V374 D375 T376 | V320-I372 HydrophobicContact CG1-CD1 3.44Å; V320-I372 VanDerWaalsContact CG1-CD1 3.44Å; I323-I372 HydrophobicContact CG2-CB 4.38Å; I323-I372 HydrophobicContact CG2-CG2 3.86Å; M327-I372 HydrophobicContact CG-CG2 4.33Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 3.08Å; I372-V374 VanDerWaalsContact C-N 3.32Å; I372-V374 PolarHBondContact O-N 2.69Å; I372-D375 PolarHBondContact O-N 3.46Å; I372-T376 VanDerWaalsContact O-CB 3.28Å; I372-T376 WeakPolarHBondContact O-CB 3.47Å; I372-T376 PolarHBondContact O-N 3Å; I372-T376 PolarHBondContact O-OG1 3.49Å |
| 373 | P | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 174.7 | -25.7 | 34 | 0 | 0 | 0 | 113.1 | I323 V337 L369 L370 Y377 L386 | I323-P373 HydrophobicContact CG2-CG 4.34Å; V337-P373 HydrophobicContact CG1-CG 4.25Å; L369-P373 WeakPolarHBondContact O-CD 3.13Å; L370-P373 WeakPolarHBondContact O-CD 3.15Å; P373-Y377 HydrophobicContact CB-CD2 4.14Å; P373-Y377 HydrophobicContact CB-CE2 4.24Å; P373-Y377 WeakPolarHBondContact O-CB 3.29Å; P373-Y377 WeakPolarHBondContact O-CD2 3.19Å; P373-Y377 PolarHBondContact O-N 2.96Å; P373-Y377 VanDerWaalsContact O-N 3.09Å; P373-L386 HydrophobicContact CB-CD1 4.31Å |
| 374 | V | 88.9 | Confident | 86 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | -178.8 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | L370 K371 I372 V383 F389 M404 Y407 V408 N411 | L370-V374 WeakPolarHBondContact O-CG2 3.44Å; K371-V374 WeakPolarHBondContact O-CB 3.47Å; K371-V374 PolarHBondContact O-N 3.24Å; K371-V374 VanDerWaalsContact O-N 3.07Å; I372-V374 VanDerWaalsContact C-N 3.32Å; I372-V374 PolarHBondContact O-N 2.69Å; V374-V383 HydrophobicContact CG2-CG1 4.19Å; V374-V383 HydrophobicContact CG2-CG2 4.48Å; V374-F389 HydrophobicContact CG2-CE2 4.4Å; V374-F389 HydrophobicContact CG2-CZ 4.03Å; V374-M404 HydrophobicContact CG2-CE 4.13Å; V374-Y407 HydrophobicContact CG1-CD1 4.18Å; V374-Y407 HydrophobicContact CG1-CE1 4.05Å; V374-V408 HydrophobicContact CG2-CG2 4.13Å; V374-N411 HydrophobicContact CG1-CB 3.89Å; V374-N411 WeakPolarHBondContact CG1-ND2 3.42Å; V374-N411 PolarHBondContact O-ND2 3.17Å |
| 375 | D | 87.9 | Confident | 85.6 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 33% | 0.326 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73.1 | -37.8 | -177.8 | -62.5 | -18.2 | 0 | 0 | 0 | 112.5 | K371 I372 N378 Y407 | K371-D375 VanDerWaalsContact O-CG 3.24Å; K371-D375 PolarHBondContact O-N 3.04Å; I372-D375 PolarHBondContact O-N 3.46Å; D375-N378 PolarHBondContact O-OD1 3.44Å; D375-N378 VanDerWaalsContact O-OD1 3.12Å; D375-Y407 WeakPolarHBondContact OD1-CE1 3.24Å; D375-Y407 VanDerWaalsContact OD1-CZ 3.24Å; D375-Y407 PolarHBondContact OD1-OH 2.97Å; D375-Y407 PolarHBondContact OD2-OH 3.43Å; D375-Y407 VanDerWaalsContact OD2-OH 3.11Å |
| 376 | T | 84.6 | Confident | 85.3 | Confident | 77 Ų | 77 | 38.3 Ų | 38.3 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -82 | -40 | -171.6 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | M327 I372 | M327-T376 VanDerWaalsContact CE-CB 3.42Å; M327-T376 HydrophobicContact CE-CG2 3.47Å; M327-T376 VanDerWaalsContact CE-CG2 3.47Å; I372-T376 VanDerWaalsContact O-CB 3.28Å; I372-T376 WeakPolarHBondContact O-CB 3.47Å; I372-T376 PolarHBondContact O-N 3Å; I372-T376 PolarHBondContact O-OG1 3.49Å |
| 377 | Y | 81.9 | Confident | 85 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.9 | -28.1 | 179.8 | -73.8 | -59.8 | 0 | 0 | 0 | 112.4 | M327 V334 P373 N379 M382 V383 | M327-Y377 HydrophobicContact CE-CD1 4.11Å; M327-Y377 HydrophobicContact CE-CD2 3.81Å; M327-Y377 HydrophobicContact CE-CE1 3.82Å; M327-Y377 HydrophobicContact CE-CE2 3.48Å; M327-Y377 VanDerWaalsContact CE-CE2 3.48Å; M327-Y377 HydrophobicContact CE-CG 4.11Å; M327-Y377 VanDerWaalsContact CE-CZ 3.49Å; M327-Y377 HydrophobicContact SD-CE1 4.3Å; M327-Y377 HydrophobicContact SD-CE2 3.72Å; M327-Y377 VanDerWaalsContact SD-CZ 3.55Å; M327-Y377 PolarHBondContact SD-OH 3.37Å; M327-Y377 VanDerWaalsContact SD-OH 3.37Å; V334-Y377 HydrophobicContact CG2-CE1 4.45Å; P373-Y377 HydrophobicContact CB-CD2 4.14Å; P373-Y377 HydrophobicContact CB-CE2 4.24Å; P373-Y377 WeakPolarHBondContact O-CB 3.29Å; P373-Y377 WeakPolarHBondContact O-CD2 3.19Å; P373-Y377 PolarHBondContact O-N 2.96Å; P373-Y377 VanDerWaalsContact O-N 3.09Å; Y377-N379 PolarHBondContact O-N 3.27Å; Y377-M382 HydrophobicContact CG-CB 4.37Å; Y377-V383 HydrophobicContact CD2-CG2 4.23Å |
| 378 | N | 73.3 | Confident | 84.9 | Confident | 88 Ų | 88 | 47.3 Ų | 47.3 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | trans | 55.4 | -14.2 | -171.3 | -61.2 | -64.4 | 0 | 0 | 0 | 115.4 | D375 S415 | D375-N378 PolarHBondContact O-OD1 3.44Å; D375-N378 VanDerWaalsContact O-OD1 3.12Å; N378-S415 VanDerWaalsContact O-CB 3.22Å; N378-S415 WeakPolarHBondContact O-CB 3.23Å; N378-S415 PolarHBondContact O-OG 3Å; N378-S415 VanDerWaalsContact O-OG 3.1Å | ||
| 379 | N | 78.4 | Confident | 84.7 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | trans | -107.9 | 106.3 | 176.4 | -174.1 | -12.3 | 0 | 0 | 0 | 109.4 | Y377 L381 M382 | Y377-N379 PolarHBondContact O-N 3.27Å; N379-L381 PolarHBondContact O-N 3.44Å; N379-L381 VanDerWaalsContact O-N 3.17Å; N379-L381 WeakPolarHBondContact OD1-CB 3.44Å; N379-L381 WeakPolarHBondContact OD1-CG 3.29Å; N379-L381 PolarHBondContact OD1-N 2.95Å; N379-M382 HydrophobicContact CB-CG 4.32Å; N379-M382 WeakPolarHBondContact O-CB 3.39Å; N379-M382 PolarHBondContact O-N 3.08Å | ||
| 380 | V | 76.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -23.2 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | M382 V383 L384 V408 T412 | V380-M382 VanDerWaalsContact C-N 3.28Å; V380-M382 PolarHBondContact O-N 3.11Å; V380-V383 WeakPolarHBondContact O-CB 3.48Å; V380-V383 PolarHBondContact O-N 2.87Å; V380-V383 VanDerWaalsContact O-N 3.14Å; V380-L384 HydrophobicContact CG1-CD1 4.13Å; V380-L384 HydrophobicContact CG1-CG 4.2Å; V380-L384 WeakPolarHBondContact O-CD1 3.47Å; V380-L384 VanDerWaalsContact O-CG 3.24Å; V380-L384 WeakPolarHBondContact O-CG 3.47Å; V380-L384 PolarHBondContact O-N 2.7Å; V380-V408 HydrophobicContact CG1-CG1 4.01Å; V380-T412 HydrophobicContact CB-CG2 4.34Å; V380-T412 HydrophobicContact CG2-CG2 4.31Å; V380-T412 WeakPolarHBondContact CG2-OG1 3.49Å |
| 381 | L | 78.9 | Confident | 84.2 | Confident | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -34.2 | 174.3 | -57.7 | 177.1 | 0 | 0 | 0 | 112.7 | N379 L384 Q385 T417 I419 Q424 | N379-L381 PolarHBondContact O-N 3.44Å; N379-L381 VanDerWaalsContact O-N 3.17Å; N379-L381 WeakPolarHBondContact OD1-CB 3.44Å; N379-L381 WeakPolarHBondContact OD1-CG 3.29Å; N379-L381 PolarHBondContact OD1-N 2.95Å; L381-L384 HydrophobicContact CD2-CD1 4.22Å; L381-Q385 WeakPolarHBondContact O-CG 3.35Å; L381-Q385 PolarHBondContact O-N 3.32Å; L381-T417 HydrophobicContact CD1-CG2 4.14Å; L381-T417 HydrophobicContact CG-CG2 3.98Å; L381-I419 HydrophobicContact CD2-CG1 4.48Å; L381-Q424 HydrophobicContact CD2-CB 4.21Å; L381-Q424 HydrophobicContact CD2-CG 4.05Å |
| 382 | M | 80.5 | Confident | 84 | Confident | 58 Ų | 58 | 44 Ų | 44 | 29% | 0.286 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71 | -38.1 | 174.7 | -67.6 | -64.9 | -69.5 | 0 | 0 | 111.1 | V334 Y377 N379 V380 L384 Q385 | V334-M382 HydrophobicContact CG2-CE 3.69Å; Y377-M382 HydrophobicContact CG-CB 4.37Å; N379-M382 HydrophobicContact CB-CG 4.32Å; N379-M382 WeakPolarHBondContact O-CB 3.39Å; N379-M382 PolarHBondContact O-N 3.08Å; V380-M382 VanDerWaalsContact C-N 3.28Å; V380-M382 PolarHBondContact O-N 3.11Å; M382-L384 VanDerWaalsContact C-N 3.31Å; M382-L384 PolarHBondContact O-N 3.22Å; M382-Q385 WeakPolarHBondContact O-CB 3.46Å; M382-Q385 PolarHBondContact O-N 3.2Å |
| 383 | V | 83.3 | Confident | 83.8 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | V374 Y377 V380 Q385 L386 F389 | V374-V383 HydrophobicContact CG2-CG1 4.19Å; V374-V383 HydrophobicContact CG2-CG2 4.48Å; Y377-V383 HydrophobicContact CD2-CG2 4.23Å; V380-V383 WeakPolarHBondContact O-CB 3.48Å; V380-V383 PolarHBondContact O-N 2.87Å; V380-V383 VanDerWaalsContact O-N 3.14Å; V383-Q385 VanDerWaalsContact C-N 3.25Å; V383-Q385 PolarHBondContact O-N 3.05Å; V383-L386 HydrophobicContact CG1-CD1 4.38Å; V383-L386 WeakPolarHBondContact O-CB 3.43Å; V383-L386 WeakPolarHBondContact O-CG 3.24Å; V383-L386 PolarHBondContact O-N 2.76Å; V383-L386 VanDerWaalsContact O-N 3.11Å; V383-F389 HydrophobicContact CG1-CD1 4.15Å; V383-F389 HydrophobicContact CG1-CD2 3.98Å; V383-F389 HydrophobicContact CG1-CE1 3.94Å; V383-F389 HydrophobicContact CG1-CE2 3.77Å; V383-F389 HydrophobicContact CG1-CG 4.16Å; V383-F389 HydrophobicContact CG1-CZ 3.76Å |
| 384 | L | 78.1 | Confident | 83.6 | Confident | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.1 | -19.8 | 177.9 | -65.1 | 161.3 | 0 | 0 | 0 | 113.8 | V380 L381 M382 L386 I428 L431 | V380-L384 HydrophobicContact CG1-CD1 4.13Å; V380-L384 HydrophobicContact CG1-CG 4.2Å; V380-L384 WeakPolarHBondContact O-CD1 3.47Å; V380-L384 VanDerWaalsContact O-CG 3.24Å; V380-L384 WeakPolarHBondContact O-CG 3.47Å; V380-L384 PolarHBondContact O-N 2.7Å; L381-L384 HydrophobicContact CD2-CD1 4.22Å; M382-L384 VanDerWaalsContact C-N 3.31Å; M382-L384 PolarHBondContact O-N 3.22Å; L384-L386 PolarHBondContact O-N 3.29Å; L384-I428 HydrophobicContact CD1-CD1 3.51Å; L384-I428 HydrophobicContact CD1-CG1 3.17Å; L384-I428 HydrophobicContact CD2-CG1 3.8Å; L384-I428 HydrophobicContact CG-CG1 4.07Å; L384-L431 HydrophobicContact CD2-CD2 4.25Å |
| 385 | Q | 82.5 | Confident | 83.5 | Confident | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17 | 172.6 | -71.1 | 173.6 | 10.6 | 0 | 0 | 112.2 | L381 M382 V383 K387 | L381-Q385 WeakPolarHBondContact O-CG 3.35Å; L381-Q385 PolarHBondContact O-N 3.32Å; M382-Q385 WeakPolarHBondContact O-CB 3.46Å; M382-Q385 PolarHBondContact O-N 3.2Å; V383-Q385 VanDerWaalsContact C-N 3.25Å; V383-Q385 PolarHBondContact O-N 3.05Å; Q385-K387 PolarHBondContact O-N 2.84Å |
| 386 | L | 84.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | trans | -71 | 108.6 | 174.6 | -58 | 170 | 0 | 0 | 0 | 109.1 | V334 V337 D338 L341 P373 V383 L384 H388 F389 P390 | V334-L386 HydrophobicContact CG1-CD2 3.49Å; V334-L386 VanDerWaalsContact CG1-CD2 3.49Å; V334-L386 HydrophobicContact CG1-CG 4.47Å; V337-L386 HydrophobicContact CB-CD2 4.45Å; V337-L386 HydrophobicContact CG1-CD1 4.34Å; V337-L386 HydrophobicContact CG1-CD2 4.36Å; D338-L386 HydrophobicContact CB-CD2 3.86Å; D338-L386 WeakPolarHBondContact OD1-CA 3.38Å; L341-L386 HydrophobicContact CD1-CB 4.18Å; L341-L386 HydrophobicContact CD1-CD1 3.93Å; L341-L386 HydrophobicContact CD1-CG 4.47Å; P373-L386 HydrophobicContact CB-CD1 4.31Å; V383-L386 HydrophobicContact CG1-CD1 4.38Å; V383-L386 WeakPolarHBondContact O-CB 3.43Å; V383-L386 WeakPolarHBondContact O-CG 3.24Å; V383-L386 PolarHBondContact O-N 2.76Å; V383-L386 VanDerWaalsContact O-N 3.11Å; L384-L386 PolarHBondContact O-N 3.29Å; L386-H388 VanDerWaalsContact C-N 3.25Å; L386-H388 PolarHBondContact O-N 3.24Å; L386-F389 HydrophobicContact CB-CB 3.76Å; L386-F389 HydrophobicContact CD1-CB 4.49Å; L386-F389 HydrophobicContact CD1-CD2 4.38Å; L386-F389 PolarHBondContact O-N 3.02Å; L386-P390 WeakPolarHBondContact O-CD 3.42Å | ||
| 387 | K | 85.6 | Confident | 83.5 | Confident | 169 Ų | 169 | 46 Ų | 46 | 74% | 0.735 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.2 | -175.1 | -65.9 | 179.3 | -179 | 176.2 | 0 | 112.1 | D338 Q385 | D338-K387 PolarHBondContact OD1-N 3.25Å; Q385-K387 PolarHBondContact O-N 2.84Å |
| 388 | H | 89.3 | Confident | 83.7 | Confident | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 4.2 | -175.3 | -57.2 | 95.9 | 0 | 0 | 0 | 113.3 | D338 L341 E342 L386 | D338-H388 VanDerWaalsContact CG-ND1 3.34Å; D338-H388 IonicContact OD1-CG 3.46Å; D338-H388 PolarHBondContact OD1-N 3.38Å; D338-H388 IonicContact OD1-ND1 3.77Å; D338-H388 PolarHBondContact OD1-ND1 2.87Å; D338-H388 IonicContact OD2-CE1 3.19Å; D338-H388 IonicContact OD2-ND1 2.96Å; D338-H388 PolarHBondContact OD2-ND1 2.87Å; L341-H388 HydrophobicContact CB-CB 3.92Å; E342-H388 HydrophobicContact CB-CB 4.37Å; L386-H388 VanDerWaalsContact C-N 3.25Å; L386-H388 PolarHBondContact O-N 3.24Å |
| 389 | F | 88.7 | Confident | 84.3 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.3 | -48.5 | 174.7 | -174.5 | -85.5 | 0 | 0 | 0 | 112.9 | L341 L370 V374 V383 L386 L392 F393 L431 | L341-F389 HydrophobicContact CD1-CB 4.06Å; L341-F389 HydrophobicContact CD1-CD2 4.22Å; L370-F389 HydrophobicContact CB-CE2 4.04Å; L370-F389 HydrophobicContact CB-CZ 4.33Å; L370-F389 HydrophobicContact CD2-CD2 3.67Å; L370-F389 HydrophobicContact CD2-CE2 3.56Å; L370-F389 HydrophobicContact CD2-CG 4.43Å; L370-F389 HydrophobicContact CD2-CZ 4.25Å; L370-F389 HydrophobicContact CG-CE2 4.38Å; V374-F389 HydrophobicContact CG2-CE2 4.4Å; V374-F389 HydrophobicContact CG2-CZ 4.03Å; V383-F389 HydrophobicContact CG1-CD1 4.15Å; V383-F389 HydrophobicContact CG1-CD2 3.98Å; V383-F389 HydrophobicContact CG1-CE1 3.94Å; V383-F389 HydrophobicContact CG1-CE2 3.77Å; V383-F389 HydrophobicContact CG1-CG 4.16Å; V383-F389 HydrophobicContact CG1-CZ 3.76Å; L386-F389 HydrophobicContact CB-CB 3.76Å; L386-F389 HydrophobicContact CD1-CB 4.49Å; L386-F389 HydrophobicContact CD1-CD2 4.38Å; L386-F389 PolarHBondContact O-N 3.02Å; F389-L392 PolarHBondContact O-N 2.73Å; F389-F393 HydrophobicContact CD1-CD2 4.44Å; F389-F393 AromaticContact CD1-CE2 3.83Å; F389-F393 HydrophobicContact CD1-CE2 3.83Å; F389-F393 HydrophobicContact CE1-CD2 4.24Å; F389-F393 AromaticContact CE1-CE2 3.24Å; F389-F393 HydrophobicContact CE1-CE2 3.24Å; F389-F393 AromaticContact CE1-CZ 3.71Å; F389-F393 HydrophobicContact CE1-CZ 3.71Å; F389-F393 AromaticContact CZ-CE2 3.69Å; F389-F393 HydrophobicContact CZ-CE2 3.69Å; F389-F393 HydrophobicContact CZ-CZ 4.09Å; F389-L431 HydrophobicContact CD1-CD1 4.4Å; F389-L431 HydrophobicContact CE1-CD1 4.32Å; F389-L431 HydrophobicContact CE1-CD2 4.14Å |
| 390 | P | 86.6 | Confident | 84.8 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 178.5 | -21 | 32.1 | 0 | 0 | 0 | 115.1 | L386 L392 F393 L431 | L386-P390 WeakPolarHBondContact O-CD 3.42Å; P390-L392 PolarHBondContact O-N 3.03Å; P390-L392 VanDerWaalsContact O-N 3.15Å; P390-F393 WeakPolarHBondContact O-CB 3.47Å; P390-F393 PolarHBondContact O-N 3.06Å; P390-L431 HydrophobicContact CB-CD1 4.43Å |
| 391 | P | 88.2 | Confident | 85.4 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.3 | -29.9 | 177.3 | -27.7 | 35.5 | 0 | 0 | 0 | 114 | V345 F393 E394 | V345-P391 HydrophobicContact CG2-CB 4.32Å; P391-F393 PolarHBondContact O-N 3.18Å; P391-E394 WeakPolarHBondContact O-CB 3.4Å; P391-E394 PolarHBondContact O-N 3.4Å; P391-E394 VanDerWaalsContact O-N 3.15Å |
| 392 | L | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -21.6 | 177.7 | -71.4 | 170.5 | 0 | 0 | 0 | 113 | L341 T344 V345 F348 L366 L370 F389 P390 E394 Y395 | L341-L392 HydrophobicContact CB-CD1 4.06Å; L341-L392 HydrophobicContact CD2-CD1 3.54Å; L341-L392 HydrophobicContact CG-CD1 4.35Å; T344-L392 HydrophobicContact CG2-CD2 4Å; V345-L392 HydrophobicContact CB-CD2 4.48Å; V345-L392 HydrophobicContact CG2-CD1 4.47Å; V345-L392 HydrophobicContact CG2-CD2 3.47Å; V345-L392 VanDerWaalsContact CG2-CD2 3.47Å; V345-L392 HydrophobicContact CG2-CG 3.66Å; F348-L392 HydrophobicContact CD2-CD2 3.88Å; F348-L392 HydrophobicContact CE2-CD2 3.97Å; L366-L392 HydrophobicContact CD1-CD2 4.42Å; L370-L392 HydrophobicContact CD1-CB 4.33Å; L370-L392 HydrophobicContact CD2-CB 4.14Å; L370-L392 HydrophobicContact CD2-CD1 3.8Å; F389-L392 PolarHBondContact O-N 2.73Å; P390-L392 PolarHBondContact O-N 3.03Å; P390-L392 VanDerWaalsContact O-N 3.15Å; L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 3.38Å; L392-Y395 HydrophobicContact CD2-CD2 4.34Å; L392-Y395 HydrophobicContact CD2-CE2 4.33Å |
| 393 | F | 85.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70 | -27.2 | 174.8 | -80.7 | -122 | 0 | 0 | 0 | 111.6 | L370 F389 P390 P391 Y395 F396 R401 M404 L431 | L370-F393 HydrophobicContact CD1-CD2 4.31Å; L370-F393 HydrophobicContact CD1-CE2 4.02Å; F389-F393 HydrophobicContact CD1-CD2 4.44Å; F389-F393 AromaticContact CD1-CE2 3.83Å; F389-F393 HydrophobicContact CD1-CE2 3.83Å; F389-F393 HydrophobicContact CE1-CD2 4.24Å; F389-F393 AromaticContact CE1-CE2 3.24Å; F389-F393 HydrophobicContact CE1-CE2 3.24Å; F389-F393 AromaticContact CE1-CZ 3.71Å; F389-F393 HydrophobicContact CE1-CZ 3.71Å; F389-F393 AromaticContact CZ-CE2 3.69Å; F389-F393 HydrophobicContact CZ-CE2 3.69Å; F389-F393 HydrophobicContact CZ-CZ 4.09Å; P390-F393 WeakPolarHBondContact O-CB 3.47Å; P390-F393 PolarHBondContact O-N 3.06Å; P391-F393 PolarHBondContact O-N 3.18Å; F393-Y395 PolarHBondContact O-N 2.73Å; F393-F396 PolarHBondContact O-N 2.97Å; F393-R401 WeakPolarHBondContact O-CD 3.5Å; F393-R401 WeakPolarHBondContact O-CG 3.29Å; F393-M404 HydrophobicContact CE1-CB 4.14Å; F393-M404 HydrophobicContact CE1-CG 3.85Å; F393-M404 HydrophobicContact CE2-CG 4.42Å; F393-M404 HydrophobicContact CZ-CB 4.36Å; F393-M404 HydrophobicContact CZ-CG 3.56Å; F393-L431 HydrophobicContact CD1-CD1 3.83Å; F393-L431 HydrophobicContact CD1-CG 4.48Å; F393-L431 HydrophobicContact CD2-CD1 3.81Å; F393-L431 HydrophobicContact CE1-CD1 3.81Å; F393-L431 HydrophobicContact CE1-CG 4.15Å; F393-L431 HydrophobicContact CE2-CD1 3.83Å; F393-L431 HydrophobicContact CG-CD1 3.84Å; F393-L431 HydrophobicContact CZ-CD1 3.82Å; F393-L431 HydrophobicContact CZ-CD2 4.48Å; F393-L431 HydrophobicContact CZ-CG 4.29Å |
| 394 | E | 84.9 | Confident | 86.5 | Confident | 140 Ų | 140 | 46.7 Ų | 46.7 | 65% | 0.654 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -27.1 | -177 | -62.2 | -174.3 | 170.7 | 0 | 0 | 112.9 | P391 L392 | P391-E394 WeakPolarHBondContact O-CB 3.4Å; P391-E394 PolarHBondContact O-N 3.4Å; P391-E394 VanDerWaalsContact O-N 3.15Å; L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 3.38Å |
| 395 | Y | 86.4 | Confident | 87.1 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 9% | 0.09 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17.4 | 179.8 | -57.7 | -75 | 0 | 0 | 0 | 114.3 | F348 N349 L353 I356 L392 F393 | F348-Y395 HydrophobicContact CB-CD1 4.29Å; F348-Y395 HydrophobicContact CB-CE1 3.91Å; F348-Y395 HydrophobicContact CB-CE2 4.22Å; F348-Y395 HydrophobicContact CD2-CD2 4.17Å; F348-Y395 HydrophobicContact CD2-CE2 4.3Å; N349-Y395 VanDerWaalsContact CG-OH 3.3Å; N349-Y395 PolarHBondContact ND2-OH 3.16Å; N349-Y395 PolarHBondContact OD1-OH 3.32Å; L353-Y395 VanDerWaalsContact O-CD1 3.23Å; L353-Y395 WeakPolarHBondContact O-CD1 3.43Å; L353-Y395 WeakPolarHBondContact O-CE1 3.43Å; I356-Y395 WeakPolarHBondContact CB-O 3.49Å; I356-Y395 PolarHBondContact N-O 3.45Å; L392-Y395 HydrophobicContact CD2-CD2 4.34Å; L392-Y395 HydrophobicContact CD2-CE2 4.33Å; F393-Y395 PolarHBondContact O-N 2.73Å |
| 396 | F | 86.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -73.5 | 151.7 | 177.4 | -79.8 | -52.3 | 0 | 0 | 0 | 111.3 | L366 L370 F393 S400 R401 | L366-F396 HydrophobicContact CB-CE1 3.96Å; L366-F396 HydrophobicContact CB-CZ 4.05Å; L366-F396 HydrophobicContact CD2-CD1 4.08Å; L366-F396 HydrophobicContact CD2-CE1 3.66Å; L366-F396 HydrophobicContact CD2-CE2 4.27Å; L366-F396 HydrophobicContact CD2-CZ 3.77Å; L366-F396 HydrophobicContact CG-CE1 3.78Å; L366-F396 HydrophobicContact CG-CE2 4.26Å; L366-F396 HydrophobicContact CG-CZ 3.54Å; L370-F396 HydrophobicContact CD1-CE2 3.41Å; L370-F396 VanDerWaalsContact CD1-CE2 3.41Å; L370-F396 HydrophobicContact CD1-CZ 3.84Å; F393-F396 PolarHBondContact O-N 2.97Å; F396-S400 VanDerWaalsContact CD1-CB 3.49Å; F396-R401 HydrophobicContact CB-CB 4.48Å; F396-R401 HydrophobicContact CB-CG 3.4Å; F396-R401 HydrophobicContact CD2-CG 4.42Å; F396-R401 HydrophobicContact CG-CG 4.39Å |
| 397 | D | 87.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | trans | -70.5 | 168.4 | 163.1 | 68.8 | -6.6 | 0 | 0 | 0 | 112.1 | I356 T358 E399 S400 R401 | I356-D397 PolarHBondContact O-N 3.32Å; T358-D397 WeakPolarHBondContact CB-OD2 3.45Å; T358-D397 PolarHBondContact N-OD2 2.95Å; T358-D397 PolarHBondContact OG1-OD1 2.94Å; T358-D397 PolarHBondContact OG1-OD2 3.42Å; D397-E399 VanDerWaalsContact C-N 3.32Å; D397-E399 PolarHBondContact O-N 3.25Å; D397-S400 PolarHBondContact O-N 3.36Å; D397-S400 WeakPolarHBondContact OD1-CB 3.49Å; D397-S400 PolarHBondContact OD1-N 3.15Å; D397-S400 PolarHBondContact OD1-OG 3.39Å; D397-R401 WeakPolarHBondContact O-CB 3.39Å; D397-R401 WeakPolarHBondContact O-CG 3.3Å; D397-R401 PolarHBondContact O-N 2.97Å | ||
| 398 | F | 85.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.7 | -47.7 | 179.5 | 178.7 | -100.4 | 0 | 0 | 0 | 113 | R401 K402 Q439 D441 Q442 P443 | F398-R401 PolarHBondContact O-N 3.28Å; F398-K402 HydrophobicContact CE1-CD 4.15Å; F398-K402 HydrophobicContact CZ-CD 4.43Å; F398-K402 VanDerWaalsContact O-CB 3.26Å; F398-K402 WeakPolarHBondContact O-CB 3.44Å; F398-K402 PolarHBondContact O-N 3.05Å; F398-Q439 HydrophobicContact CD2-CB 4.25Å; F398-Q439 HydrophobicContact CE2-CB 4.32Å; F398-Q439 HydrophobicContact CE2-CG 4.41Å; F398-D441 WeakPolarHBondContact CB-OD2 3.35Å; F398-Q442 HydrophobicContact CD2-CB 4.22Å; F398-Q442 HydrophobicContact CE1-CG 3.92Å; F398-Q442 HydrophobicContact CE2-CB 3.99Å; F398-Q442 HydrophobicContact CE2-CG 3.94Å; F398-Q442 HydrophobicContact CZ-CB 4.18Å; F398-Q442 HydrophobicContact CZ-CG 3.62Å; F398-P443 HydrophobicContact CD1-CG 4.33Å |
| 399 | E | 86.2 | Confident | 87.8 | Confident | 117 Ų | 117 | 33 Ų | 33 | 55% | 0.547 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.9 | -43.7 | -176.5 | -174.6 | -178.3 | 173.5 | 0 | 0 | 112.4 | D397 K402 T403 | D397-E399 VanDerWaalsContact C-N 3.32Å; D397-E399 PolarHBondContact O-N 3.25Å; E399-K402 PolarHBondContact O-N 3.26Å; E399-T403 WeakPolarHBondContact O-CB 3.35Å; E399-T403 PolarHBondContact O-N 3.45Å; E399-T403 PolarHBondContact O-OG1 2.84Å |
| 400 | S | 87.6 | Confident | 87.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | T358 S363 F396 D397 K402 T403 M404 | T358-S400 PolarHBondContact OG1-OG 3.28Å; S363-S400 PolarHBondContact OG-OG 3.34Å; S363-S400 VanDerWaalsContact OG-OG 3.07Å; F396-S400 VanDerWaalsContact CD1-CB 3.49Å; D397-S400 PolarHBondContact O-N 3.36Å; D397-S400 WeakPolarHBondContact OD1-CB 3.49Å; D397-S400 PolarHBondContact OD1-N 3.15Å; D397-S400 PolarHBondContact OD1-OG 3.39Å; S400-K402 VanDerWaalsContact C-N 3.35Å; S400-K402 PolarHBondContact O-N 2.88Å; S400-T403 PolarHBondContact O-N 2.99Å; S400-M404 VanDerWaalsContact O-CB 3.29Å; S400-M404 WeakPolarHBondContact O-CB 3.41Å; S400-M404 PolarHBondContact O-N 3.15Å |
| 401 | R | 88.4 | Confident | 88 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 13% | 0.132 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 174.9 | -72.3 | -169.5 | -74.4 | -163.9 | 8.8 | 111.9 | F393 F396 D397 F398 M404 S405 T434 D441 | F393-R401 WeakPolarHBondContact O-CD 3.5Å; F393-R401 WeakPolarHBondContact O-CG 3.29Å; F396-R401 HydrophobicContact CB-CB 4.48Å; F396-R401 HydrophobicContact CB-CG 3.4Å; F396-R401 HydrophobicContact CD2-CG 4.42Å; F396-R401 HydrophobicContact CG-CG 4.39Å; D397-R401 WeakPolarHBondContact O-CB 3.39Å; D397-R401 WeakPolarHBondContact O-CG 3.3Å; D397-R401 PolarHBondContact O-N 2.97Å; F398-R401 PolarHBondContact O-N 3.28Å; R401-M404 PolarHBondContact O-N 2.97Å; R401-S405 VanDerWaalsContact O-CB 3.25Å; R401-S405 WeakPolarHBondContact O-CB 3.36Å; R401-S405 PolarHBondContact O-N 3.26Å; R401-S405 PolarHBondContact O-OG 3.29Å; R401-T434 HydrophobicContact CB-CG2 3.62Å; R401-T434 HydrophobicContact CG-CG2 4.42Å; R401-D441 IonicContact CZ-OD2 2.69Å; R401-D441 IonicContact NH2-OD1 2.74Å; R401-D441 PolarHBondContact NH2-OD1 3.42Å; R401-D441 IonicContact NH2-OD2 3.81Å; R401-D441 PolarHBondContact NH2-OD2 2.94Å |
| 402 | K | 88.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 30.6 Ų | 30.6 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -51.2 | 177.8 | -165.6 | -169.7 | -166.9 | -151.3 | 0 | 110.7 | F398 E399 S400 M404 S405 C406 L435 E455 | F398-K402 HydrophobicContact CE1-CD 4.15Å; F398-K402 HydrophobicContact CZ-CD 4.43Å; F398-K402 VanDerWaalsContact O-CB 3.26Å; F398-K402 WeakPolarHBondContact O-CB 3.44Å; F398-K402 PolarHBondContact O-N 3.05Å; E399-K402 PolarHBondContact O-N 3.26Å; S400-K402 VanDerWaalsContact C-N 3.35Å; S400-K402 PolarHBondContact O-N 2.88Å; K402-M404 PolarHBondContact O-N 2.82Å; K402-S405 PolarHBondContact O-N 2.73Å; K402-C406 PolarHBondContact O-N 3.39Å; K402-C406 PolarHBondContact O-SG 3.2Å; K402-L435 HydrophobicContact CG-CD2 3.5Å; K402-L435 VanDerWaalsContact CG-CD2 3.5Å; K402-E455 WeakPolarHBondContact CE-OE1 3.38Å; K402-E455 WeakPolarHBondContact CE-OE2 3.35Å; K402-E455 IonicContact NZ-OE1 3.97Å; K402-E455 PolarHBondContact NZ-OE1 2.74Å; K402-E455 IonicContact NZ-OE2 3.06Å; K402-E455 PolarHBondContact NZ-OE2 2.7Å |
| 403 | T | 88.8 | Confident | 87.8 | Confident | 77 Ų | 77 | 31.4 Ų | 31.4 | 47% | 0.472 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | E399 S400 C406 Y407 | E399-T403 WeakPolarHBondContact O-CB 3.35Å; E399-T403 PolarHBondContact O-N 3.45Å; E399-T403 PolarHBondContact O-OG1 2.84Å; S400-T403 PolarHBondContact O-N 2.99Å; T403-C406 PolarHBondContact O-N 2.94Å; T403-Y407 WeakPolarHBondContact O-CB 3.46Å; T403-Y407 PolarHBondContact O-N 3.46Å |
| 404 | M | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 178.3 | -168.7 | 63.5 | -160.9 | 0 | 0 | 111.7 | T367 L370 K371 V374 F393 S400 R401 K402 Y407 V408 | T367-M404 HydrophobicContact CG2-SD 4.34Å; L370-M404 HydrophobicContact CB-CE 3.76Å; L370-M404 HydrophobicContact CB-SD 4.46Å; K371-M404 HydrophobicContact CG-CE 3.98Å; K371-M404 HydrophobicContact CG-SD 3.98Å; V374-M404 HydrophobicContact CG2-CE 4.13Å; F393-M404 HydrophobicContact CE1-CB 4.14Å; F393-M404 HydrophobicContact CE1-CG 3.85Å; F393-M404 HydrophobicContact CE2-CG 4.42Å; F393-M404 HydrophobicContact CZ-CB 4.36Å; F393-M404 HydrophobicContact CZ-CG 3.56Å; S400-M404 VanDerWaalsContact O-CB 3.29Å; S400-M404 WeakPolarHBondContact O-CB 3.41Å; S400-M404 PolarHBondContact O-N 3.15Å; R401-M404 PolarHBondContact O-N 2.97Å; K402-M404 PolarHBondContact O-N 2.82Å; M404-Y407 HydrophobicContact CE-CD1 4.32Å; M404-Y407 WeakPolarHBondContact O-CB 3.44Å; M404-Y407 PolarHBondContact O-N 3.49Å; M404-V408 HydrophobicContact CE-CG2 4.13Å; M404-V408 WeakPolarHBondContact O-CG2 3.45Å; M404-V408 PolarHBondContact O-N 2.92Å |
| 405 | S | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | R401 K402 Y407 V408 L409 T434 | R401-S405 VanDerWaalsContact O-CB 3.25Å; R401-S405 WeakPolarHBondContact O-CB 3.36Å; R401-S405 PolarHBondContact O-N 3.26Å; R401-S405 PolarHBondContact O-OG 3.29Å; K402-S405 PolarHBondContact O-N 2.73Å; S405-Y407 VanDerWaalsContact C-N 3.28Å; S405-Y407 PolarHBondContact O-N 3.25Å; S405-V408 PolarHBondContact O-N 3.23Å; S405-L409 WeakPolarHBondContact O-CG 3.41Å; S405-L409 PolarHBondContact O-N 3.37Å; S405-T434 PolarHBondContact OG-OG1 3.03Å |
| 406 | C | 90.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 38 Ų | 38 | 14% | 0.142 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 172.7 | -74.5 | 0 | 0 | 0 | 0 | 110.9 | K402 T403 L409 S410 | K402-C406 PolarHBondContact O-N 3.39Å; K402-C406 PolarHBondContact O-SG 3.2Å; T403-C406 PolarHBondContact O-N 2.94Å; C406-L409 PolarHBondContact O-N 3.12Å; C406-S410 WeakPolarHBondContact O-CB 3.36Å; C406-S410 PolarHBondContact O-N 3.3Å; C406-S410 PolarHBondContact O-OG 3.5Å; C406-S410 VanDerWaalsContact O-OG 3.12Å |
| 407 | Y | 90.6 | Very high | 87.7 | Confident | 72 Ų | 72 | 38.9 Ų | 38.9 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 178.5 | -168.8 | -96.4 | 0 | 0 | 0 | 112.6 | K371 V374 D375 T403 M404 S405 L409 S410 N411 | K371-Y407 HydrophobicContact CB-CE1 4.19Å; K371-Y407 HydrophobicContact CD-CD1 4.29Å; K371-Y407 HydrophobicContact CD-CE1 3.94Å; K371-Y407 HydrophobicContact CD-CE2 4.22Å; K371-Y407 HydrophobicContact CG-CD1 3.9Å; K371-Y407 HydrophobicContact CG-CE1 3.64Å; V374-Y407 HydrophobicContact CG1-CD1 4.18Å; V374-Y407 HydrophobicContact CG1-CE1 4.05Å; D375-Y407 WeakPolarHBondContact OD1-CE1 3.24Å; D375-Y407 VanDerWaalsContact OD1-CZ 3.24Å; D375-Y407 PolarHBondContact OD1-OH 2.97Å; D375-Y407 PolarHBondContact OD2-OH 3.43Å; D375-Y407 VanDerWaalsContact OD2-OH 3.11Å; T403-Y407 WeakPolarHBondContact O-CB 3.46Å; T403-Y407 PolarHBondContact O-N 3.46Å; M404-Y407 HydrophobicContact CE-CD1 4.32Å; M404-Y407 WeakPolarHBondContact O-CB 3.44Å; M404-Y407 PolarHBondContact O-N 3.49Å; S405-Y407 VanDerWaalsContact C-N 3.28Å; S405-Y407 PolarHBondContact O-N 3.25Å; Y407-L409 PolarHBondContact O-N 2.99Å; Y407-S410 PolarHBondContact O-N 3.23Å; Y407-N411 WeakPolarHBondContact O-CB 3.37Å; Y407-N411 PolarHBondContact O-N 3.14Å |
| 408 | V | 88.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111 | V374 V380 M404 S405 T412 L431 | V374-V408 HydrophobicContact CG2-CG2 4.13Å; V380-V408 HydrophobicContact CG1-CG1 4.01Å; M404-V408 HydrophobicContact CE-CG2 4.13Å; M404-V408 WeakPolarHBondContact O-CG2 3.45Å; M404-V408 PolarHBondContact O-N 2.92Å; S405-V408 PolarHBondContact O-N 3.23Å; V408-T412 PolarHBondContact O-N 3.46Å; V408-T412 PolarHBondContact O-OG1 3.3Å; V408-L431 HydrophobicContact CG1-CD2 4.33Å |
| 409 | L | 88.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.6 | -72.4 | -170.5 | 0 | 0 | 0 | 112.4 | S405 C406 Y407 N411 T412 L413 I428 V432 L435 V459 F462 | S405-L409 WeakPolarHBondContact O-CG 3.41Å; S405-L409 PolarHBondContact O-N 3.37Å; C406-L409 PolarHBondContact O-N 3.12Å; Y407-L409 PolarHBondContact O-N 2.99Å; L409-N411 PolarHBondContact O-N 3.28Å; L409-T412 WeakPolarHBondContact O-CB 3.49Å; L409-T412 PolarHBondContact O-N 3.18Å; L409-L413 WeakPolarHBondContact O-CG 3.31Å; L409-L413 PolarHBondContact O-N 2.97Å; L409-I428 HydrophobicContact CD2-CG2 4.48Å; L409-V432 HydrophobicContact CD1-CG1 3.83Å; L409-V432 HydrophobicContact CD2-CG1 4.43Å; L409-V432 HydrophobicContact CD2-CG2 4.04Å; L409-V432 HydrophobicContact CG-CG1 4.11Å; L409-V432 HydrophobicContact CG-CG2 4.18Å; L409-L435 HydrophobicContact CD1-CD1 3.79Å; L409-V459 HydrophobicContact CD1-CG2 3.97Å; L409-F462 HydrophobicContact CD2-CB 4.46Å; L409-F462 HydrophobicContact CD2-CD1 3.8Å; L409-F462 HydrophobicContact CD2-CD2 3.8Å; L409-F462 HydrophobicContact CD2-CE1 3.88Å; L409-F462 HydrophobicContact CD2-CE2 3.92Å; L409-F462 HydrophobicContact CD2-CG 3.76Å; L409-F462 HydrophobicContact CD2-CZ 3.96Å |
| 410 | S | 89.7 | Confident | 87.4 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 178.2 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | C406 Y407 T412 L413 E414 | C406-S410 WeakPolarHBondContact O-CB 3.36Å; C406-S410 PolarHBondContact O-N 3.3Å; C406-S410 PolarHBondContact O-OG 3.5Å; C406-S410 VanDerWaalsContact O-OG 3.12Å; Y407-S410 PolarHBondContact O-N 3.23Å; S410-T412 VanDerWaalsContact C-N 3.3Å; S410-T412 PolarHBondContact O-N 3.01Å; S410-L413 WeakPolarHBondContact O-CB 3.4Å; S410-L413 PolarHBondContact O-N 3.13Å; S410-L413 VanDerWaalsContact O-N 3.16Å; S410-E414 WeakPolarHBondContact O-CG 3.17Å; S410-E414 PolarHBondContact O-N 3.42Å |
| 411 | N | 88.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 176.5 | -171.7 | 48.1 | 0 | 0 | 0 | 112.4 | V374 Y407 L409 L413 E414 S415 | V374-N411 HydrophobicContact CG1-CB 3.89Å; V374-N411 WeakPolarHBondContact CG1-ND2 3.42Å; V374-N411 PolarHBondContact O-ND2 3.17Å; Y407-N411 WeakPolarHBondContact O-CB 3.37Å; Y407-N411 PolarHBondContact O-N 3.14Å; L409-N411 PolarHBondContact O-N 3.28Å; N411-L413 VanDerWaalsContact C-N 3.33Å; N411-L413 PolarHBondContact O-N 3.09Å; N411-E414 PolarHBondContact O-N 2.88Å; N411-S415 WeakPolarHBondContact O-CB 3.38Å; N411-S415 PolarHBondContact O-N 3.49Å; N411-S415 PolarHBondContact O-OG 3.32Å; N411-S415 VanDerWaalsContact O-OG 3.11Å |
| 412 | T | 85.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 175.4 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | V380 V408 L409 S410 N416 T417 F462 L465 | V380-T412 HydrophobicContact CB-CG2 4.34Å; V380-T412 HydrophobicContact CG2-CG2 4.31Å; V380-T412 WeakPolarHBondContact CG2-OG1 3.49Å; V408-T412 PolarHBondContact O-N 3.46Å; V408-T412 PolarHBondContact O-OG1 3.3Å; L409-T412 WeakPolarHBondContact O-CB 3.49Å; L409-T412 PolarHBondContact O-N 3.18Å; S410-T412 VanDerWaalsContact C-N 3.3Å; S410-T412 PolarHBondContact O-N 3.01Å; T412-N416 PolarHBondContact O-N 2.95Å; T412-T417 PolarHBondContact O-N 2.81Å; T412-F462 HydrophobicContact CG2-CE2 3.96Å; T412-L465 HydrophobicContact CG2-CD1 4.03Å |
| 413 | L | 87.1 | Confident | 87.4 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.4 | -43.8 | 177 | -73.4 | 167.9 | 0 | 0 | 0 | 112.1 | L409 S410 N411 S415 N416 L458 R461 L465 | L409-L413 WeakPolarHBondContact O-CG 3.31Å; L409-L413 PolarHBondContact O-N 2.97Å; S410-L413 WeakPolarHBondContact O-CB 3.4Å; S410-L413 PolarHBondContact O-N 3.13Å; S410-L413 VanDerWaalsContact O-N 3.16Å; N411-L413 VanDerWaalsContact C-N 3.33Å; N411-L413 PolarHBondContact O-N 3.09Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.31Å; L413-N416 PolarHBondContact O-N 3.41Å; L413-N416 PolarHBondContact O-OD1 3.46Å; L413-L458 HydrophobicContact CD1-CD2 3.94Å; L413-R461 HydrophobicContact CD1-CB 4.25Å; L413-R461 HydrophobicContact CD2-CB 4.06Å; L413-L465 HydrophobicContact CD2-CD1 3.79Å; L413-L465 HydrophobicContact CD2-CG 4.15Å; L413-L465 HydrophobicContact CG-CD1 4.35Å |
| 414 | E | 87.9 | Confident | 87.2 | Confident | 152 Ų | 152 | 46.1 Ų | 46.1 | 71% | 0.71 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.4 | -39.9 | 177.6 | -73.7 | 176.6 | -167.7 | 0 | 0 | 111.7 | S410 N411 N416 | S410-E414 WeakPolarHBondContact O-CG 3.17Å; S410-E414 PolarHBondContact O-N 3.42Å; N411-E414 PolarHBondContact O-N 2.88Å; E414-N416 VanDerWaalsContact C-N 3.28Å; E414-N416 PolarHBondContact O-N 3.24Å |
| 415 | S | 83.9 | Confident | 87.1 | Confident | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.5 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | N378 N411 L413 T417 | N378-S415 VanDerWaalsContact O-CB 3.22Å; N378-S415 WeakPolarHBondContact O-CB 3.23Å; N378-S415 PolarHBondContact O-OG 3Å; N378-S415 VanDerWaalsContact O-OG 3.1Å; N411-S415 WeakPolarHBondContact O-CB 3.38Å; N411-S415 PolarHBondContact O-N 3.49Å; N411-S415 PolarHBondContact O-OG 3.32Å; N411-S415 VanDerWaalsContact O-OG 3.11Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.31Å; S415-T417 PolarHBondContact O-N 3.33Å |
| 416 | N | 85.9 | Confident | 87 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 41.8 | -174.8 | -71 | -51.5 | 0 | 0 | 0 | 113.6 | T412 L413 E414 I418 | T412-N416 PolarHBondContact O-N 2.95Å; L413-N416 PolarHBondContact O-N 3.41Å; L413-N416 PolarHBondContact O-OD1 3.46Å; E414-N416 VanDerWaalsContact C-N 3.28Å; E414-N416 PolarHBondContact O-N 3.24Å; N416-I418 PolarHBondContact O-N 2.99Å |
| 417 | T | 82.8 | Confident | 86.7 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 116.9 | -178.2 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | L381 T412 S415 | L381-T417 HydrophobicContact CD1-CG2 4.14Å; L381-T417 HydrophobicContact CG-CG2 3.98Å; T412-T417 PolarHBondContact O-N 2.81Å; S415-T417 PolarHBondContact O-N 3.33Å |
| 418 | I | 84.7 | Confident | 86.5 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -80 | 131.8 | 179.3 | -57.8 | 173.1 | 0 | 0 | 0 | 109.8 | N416 H467 | N416-I418 PolarHBondContact O-N 2.99Å; I418-H467 HydrophobicContact CG2-CB 3.89Å; I418-H467 WeakPolarHBondContact CG2-O 3.43Å |
| 419 | I | 83.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -103.3 | 118.7 | 178.5 | -58.3 | 157.6 | 0 | 0 | 0 | 108.9 | L381 Q424 V425 I428 F462 L465 F466 H467 | L381-I419 HydrophobicContact CD2-CG1 4.48Å; I419-Q424 HydrophobicContact CG2-CB 3.71Å; I419-V425 HydrophobicContact CG2-CG2 3.5Å; I419-I428 HydrophobicContact CD1-CD1 3.37Å; I419-I428 HydrophobicContact CG1-CD1 3.91Å; I419-I428 HydrophobicContact CG2-CD1 4.45Å; I419-F462 HydrophobicContact CD1-CE1 4.45Å; I419-F462 HydrophobicContact CD1-CE2 3.56Å; I419-F462 HydrophobicContact CD1-CZ 3.37Å; I419-L465 PolarHBondContact N-O 3.46Å; I419-F466 HydrophobicContact CB-CD1 4.1Å; I419-F466 HydrophobicContact CD1-CD1 3.83Å; I419-F466 HydrophobicContact CD1-CE1 3.6Å; I419-H467 PolarHBondContact O-N 2.91Å |
| 420 | V | 85.3 | Confident | 86.3 | Confident | 67 Ų | 67 | 50.3 Ų | 50.3 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | trans | -108.6 | -18.2 | -163.5 | -131.3 | 0 | 0 | 0 | 0 | 113.1 | S468 I477 | V420-S468 PolarHBondContact O-OG 2.9Å; V420-I477 WeakPolarHBondContact O-CD1 3.46Å | ||
| 421 | S | 88 | Confident | 86 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | trans | -120.4 | 144.9 | -172.9 | -177 | 0 | 0 | 0 | 0 | 113.7 | E423 Q424 V425 | S421-E423 VanDerWaalsContact C-N 3.29Å; S421-E423 PolarHBondContact O-N 3.15Å; S421-E423 PolarHBondContact OG-N 3.34Å; S421-Q424 PolarHBondContact O-N 3.47Å; S421-V425 WeakPolarHBondContact O-CG2 3.43Å; S421-V425 PolarHBondContact O-N 2.99Å; S421-V425 VanDerWaalsContact O-N 3.15Å | ||
| 422 | Q | 88.4 | Confident | 85.8 | Confident | 74 Ų | 74 | 48.8 Ų | 48.8 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.3 | -41.4 | 173.2 | -172.8 | -173.2 | -16.3 | 0 | 0 | 112.8 | V425 D426 Q473 T480 | Q422-V425 PolarHBondContact O-N 3.38Å; Q422-D426 PolarHBondContact O-N 3.29Å; Q422-Q473 VanDerWaalsContact N-NE2 3.19Å; Q422-T480 VanDerWaalsContact CG-OG1 3.24Å; Q422-T480 WeakPolarHBondContact CG-OG1 3.14Å; Q422-T480 PolarHBondContact NE2-OG1 2.82Å |
| 423 | E | 86.9 | Confident | 85.7 | Confident | 152 Ų | 152 | 50.3 Ų | 50.3 | 71% | 0.71 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.2 | -37.1 | -178.3 | -65.3 | 178.5 | 174.2 | 0 | 0 | 112.2 | S421 D426 S427 | S421-E423 VanDerWaalsContact C-N 3.29Å; S421-E423 PolarHBondContact O-N 3.15Å; S421-E423 PolarHBondContact OG-N 3.34Å; E423-D426 PolarHBondContact O-N 3.14Å; E423-S427 WeakPolarHBondContact O-CB 3.32Å; E423-S427 PolarHBondContact O-N 2.84Å; E423-S427 PolarHBondContact O-OG 2.87Å |
| 424 | Q | 85.5 | Confident | 85.2 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.2 | -67.2 | 172.2 | -20.9 | 0 | 0 | 110.6 | L381 I419 S421 S427 I428 | L381-Q424 HydrophobicContact CD2-CB 4.21Å; L381-Q424 HydrophobicContact CD2-CG 4.05Å; I419-Q424 HydrophobicContact CG2-CB 3.71Å; S421-Q424 PolarHBondContact O-N 3.47Å; Q424-S427 PolarHBondContact O-N 2.76Å; Q424-I428 VanDerWaalsContact O-CG1 3.29Å; Q424-I428 WeakPolarHBondContact O-CG1 3.42Å; Q424-I428 PolarHBondContact O-N 2.81Å |
| 425 | V | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I419 S421 Q422 S427 I428 L429 F466 I477 T480 | I419-V425 HydrophobicContact CG2-CG2 3.5Å; S421-V425 WeakPolarHBondContact O-CG2 3.43Å; S421-V425 PolarHBondContact O-N 2.99Å; S421-V425 VanDerWaalsContact O-N 3.15Å; Q422-V425 PolarHBondContact O-N 3.38Å; V425-S427 VanDerWaalsContact C-N 3.31Å; V425-S427 PolarHBondContact O-N 3.09Å; V425-I428 PolarHBondContact O-N 3.46Å; V425-L429 HydrophobicContact CG1-CD1 3.58Å; V425-L429 HydrophobicContact CG1-CG 4.17Å; V425-L429 VanDerWaalsContact O-CB 3.31Å; V425-L429 WeakPolarHBondContact O-CB 3.38Å; V425-L429 VanDerWaalsContact O-CG 3.23Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.39Å; V425-F466 HydrophobicContact CG1-CE2 4.26Å; V425-F466 HydrophobicContact CG1-CZ 4.12Å; V425-F466 HydrophobicContact CG2-CD1 4.13Å; V425-F466 HydrophobicContact CG2-CE1 4.17Å; V425-F466 HydrophobicContact CG2-CG 4.49Å; V425-I477 HydrophobicContact CG2-CB 4.49Å; V425-I477 HydrophobicContact CG2-CG1 4.19Å; V425-I477 HydrophobicContact CG2-CG2 3.78Å; V425-T480 HydrophobicContact CG1-CG2 4.31Å |
| 426 | D | 87.9 | Confident | 84.7 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 35% | 0.353 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61 | -41.9 | 178.5 | -164.2 | 58.9 | 0 | 0 | 0 | 111.6 | Q422 E423 S430 T480 H484 | Q422-D426 PolarHBondContact O-N 3.29Å; E423-D426 PolarHBondContact O-N 3.14Å; D426-S430 VanDerWaalsContact O-CB 3.25Å; D426-S430 WeakPolarHBondContact O-CB 3.31Å; D426-S430 PolarHBondContact O-N 2.94Å; D426-S430 PolarHBondContact O-OG 3.47Å; D426-T480 HydrophobicContact CB-CG2 4.04Å; D426-H484 IonicContact OD1-CD2 2.77Å; D426-H484 IonicContact OD1-CE1 3.82Å; D426-H484 IonicContact OD1-NE2 3.02Å; D426-H484 PolarHBondContact OD1-NE2 3.29Å |
| 427 | S | 85.1 | Confident | 84.4 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 42% | 0.42 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | E423 Q424 V425 S430 L431 | E423-S427 WeakPolarHBondContact O-CB 3.32Å; E423-S427 PolarHBondContact O-N 2.84Å; E423-S427 PolarHBondContact O-OG 2.87Å; Q424-S427 PolarHBondContact O-N 2.76Å; V425-S427 VanDerWaalsContact C-N 3.31Å; V425-S427 PolarHBondContact O-N 3.09Å; S427-S430 PolarHBondContact O-N 2.92Å; S427-L431 WeakPolarHBondContact O-CB 3.26Å; S427-L431 PolarHBondContact O-N 3.11Å |
| 428 | I | 86.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 178.3 | -63.4 | 163 | 0 | 0 | 0 | 111.1 | L384 L409 I419 Q424 V425 S430 L431 V432 F462 | L384-I428 HydrophobicContact CD1-CD1 3.51Å; L384-I428 HydrophobicContact CD1-CG1 3.17Å; L384-I428 HydrophobicContact CD2-CG1 3.8Å; L384-I428 HydrophobicContact CG-CG1 4.07Å; L409-I428 HydrophobicContact CD2-CG2 4.48Å; I419-I428 HydrophobicContact CD1-CD1 3.37Å; I419-I428 HydrophobicContact CG1-CD1 3.91Å; I419-I428 HydrophobicContact CG2-CD1 4.45Å; Q424-I428 VanDerWaalsContact O-CG1 3.29Å; Q424-I428 WeakPolarHBondContact O-CG1 3.42Å; Q424-I428 PolarHBondContact O-N 2.81Å; V425-I428 PolarHBondContact O-N 3.46Å; I428-S430 VanDerWaalsContact C-N 3.27Å; I428-S430 PolarHBondContact O-N 3.13Å; I428-L431 WeakPolarHBondContact O-CB 3.31Å; I428-L431 PolarHBondContact O-N 3.39Å; I428-V432 HydrophobicContact CG2-CG2 4.2Å; I428-V432 WeakPolarHBondContact O-CB 3.39Å; I428-V432 VanDerWaalsContact O-CG2 3.32Å; I428-V432 WeakPolarHBondContact O-CG2 3.5Å; I428-V432 PolarHBondContact O-N 3.29Å; I428-F462 HydrophobicContact CB-CZ 4.4Å; I428-F462 HydrophobicContact CD1-CZ 4.24Å; I428-F462 HydrophobicContact CG2-CE1 3.88Å; I428-F462 HydrophobicContact CG2-CZ 3.55Å |
| 429 | L | 87.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -32.4 | 179.2 | -67.6 | 179 | 0 | 0 | 0 | 111.6 | V425 V432 S433 I436 F462 F466 A481 H484 F485 | V425-L429 HydrophobicContact CG1-CD1 3.58Å; V425-L429 HydrophobicContact CG1-CG 4.17Å; V425-L429 VanDerWaalsContact O-CB 3.31Å; V425-L429 WeakPolarHBondContact O-CB 3.38Å; V425-L429 VanDerWaalsContact O-CG 3.23Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.39Å; L429-V432 CarbonylContact O-C 3.16Å; L429-S433 PolarHBondContact O-N 3.35Å; L429-S433 VanDerWaalsContact O-N 3.08Å; L429-I436 HydrophobicContact CB-CD1 4.22Å; L429-I436 VanDerWaalsContact O-CD1 3.23Å; L429-I436 WeakPolarHBondContact O-CD1 3.47Å; L429-F462 HydrophobicContact CD2-CE1 4.38Å; L429-F466 HydrophobicContact CD2-CZ 4.37Å; L429-A481 HydrophobicContact CD1-CB 4.3Å; L429-H484 HydrophobicContact CB-CB 4.22Å; L429-H484 HydrophobicContact CD1-CB 3.85Å; L429-F485 HydrophobicContact CD2-CE1 3.97Å; L429-F485 HydrophobicContact CD2-CZ 3.93Å |
| 430 | S | 85.8 | Confident | 82.6 | Confident | 57 Ų | 57 | 44.8 Ų | 44.8 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 171.8 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | D426 S427 I428 V432 S433 | D426-S430 VanDerWaalsContact O-CB 3.25Å; D426-S430 WeakPolarHBondContact O-CB 3.31Å; D426-S430 PolarHBondContact O-N 2.94Å; D426-S430 PolarHBondContact O-OG 3.47Å; S427-S430 PolarHBondContact O-N 2.92Å; I428-S430 VanDerWaalsContact C-N 3.27Å; I428-S430 PolarHBondContact O-N 3.13Å; S430-V432 VanDerWaalsContact C-N 3.31Å; S430-V432 PolarHBondContact O-N 3.11Å; S430-S433 WeakPolarHBondContact O-CB 3.49Å; S430-S433 PolarHBondContact O-N 2.95Å; S430-S433 PolarHBondContact O-OG 3.16Å |
| 431 | L | 83.5 | Confident | 81.8 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 175.2 | -176.4 | 69.9 | 0 | 0 | 0 | 111.5 | L384 F389 P390 F393 V408 S427 I428 S433 | L384-L431 HydrophobicContact CD2-CD2 4.25Å; F389-L431 HydrophobicContact CD1-CD1 4.4Å; F389-L431 HydrophobicContact CE1-CD1 4.32Å; F389-L431 HydrophobicContact CE1-CD2 4.14Å; P390-L431 HydrophobicContact CB-CD1 4.43Å; F393-L431 HydrophobicContact CD1-CD1 3.83Å; F393-L431 HydrophobicContact CD1-CG 4.48Å; F393-L431 HydrophobicContact CD2-CD1 3.81Å; F393-L431 HydrophobicContact CE1-CD1 3.81Å; F393-L431 HydrophobicContact CE1-CG 4.15Å; F393-L431 HydrophobicContact CE2-CD1 3.83Å; F393-L431 HydrophobicContact CG-CD1 3.84Å; F393-L431 HydrophobicContact CZ-CD1 3.82Å; F393-L431 HydrophobicContact CZ-CD2 4.48Å; F393-L431 HydrophobicContact CZ-CG 4.29Å; V408-L431 HydrophobicContact CG1-CD2 4.33Å; S427-L431 WeakPolarHBondContact O-CB 3.26Å; S427-L431 PolarHBondContact O-N 3.11Å; I428-L431 WeakPolarHBondContact O-CB 3.31Å; I428-L431 PolarHBondContact O-N 3.39Å; L431-S433 PolarHBondContact O-N 3.49Å |
| 432 | V | 83.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 19 | -177.6 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | L409 I428 L429 S430 T434 L435 I436 | L409-V432 HydrophobicContact CD1-CG1 3.83Å; L409-V432 HydrophobicContact CD2-CG1 4.43Å; L409-V432 HydrophobicContact CD2-CG2 4.04Å; L409-V432 HydrophobicContact CG-CG1 4.11Å; L409-V432 HydrophobicContact CG-CG2 4.18Å; I428-V432 HydrophobicContact CG2-CG2 4.2Å; I428-V432 WeakPolarHBondContact O-CB 3.39Å; I428-V432 VanDerWaalsContact O-CG2 3.32Å; I428-V432 WeakPolarHBondContact O-CG2 3.5Å; I428-V432 PolarHBondContact O-N 3.29Å; L429-V432 CarbonylContact O-C 3.16Å; S430-V432 VanDerWaalsContact C-N 3.31Å; S430-V432 PolarHBondContact O-N 3.11Å; V432-T434 PolarHBondContact O-N 3.39Å; V432-L435 HydrophobicContact CG1-CB 3.68Å; V432-L435 HydrophobicContact CG1-CD1 3.56Å; V432-L435 HydrophobicContact CG1-CG 3.83Å; V432-L435 PolarHBondContact O-N 3.02Å; V432-I436 PolarHBondContact O-N 3.5Å |
| 433 | S | 83.1 | Confident | 80.3 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.8 | -32.9 | -179.2 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | L429 S430 L431 L435 I436 Q437 | L429-S433 PolarHBondContact O-N 3.35Å; L429-S433 VanDerWaalsContact O-N 3.08Å; S430-S433 WeakPolarHBondContact O-CB 3.49Å; S430-S433 PolarHBondContact O-N 2.95Å; S430-S433 PolarHBondContact O-OG 3.16Å; L431-S433 PolarHBondContact O-N 3.49Å; S433-L435 VanDerWaalsContact C-N 3.31Å; S433-L435 PolarHBondContact O-N 2.93Å; S433-I436 VanDerWaalsContact CA-CG1 3.45Å; S433-I436 WeakPolarHBondContact O-CG1 3.31Å; S433-I436 PolarHBondContact O-N 3.28Å; S433-Q437 PolarHBondContact O-N 3.38Å |
| 434 | T | 77.1 | Confident | 79.1 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -28 | 176.7 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | R401 S405 V432 Q439 | R401-T434 HydrophobicContact CB-CG2 3.62Å; R401-T434 HydrophobicContact CG-CG2 4.42Å; S405-T434 PolarHBondContact OG-OG1 3.03Å; V432-T434 PolarHBondContact O-N 3.39Å; T434-Q439 HydrophobicContact CG2-CG 4.23Å |
| 435 | L | 80.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -87.8 | -22.9 | 175.7 | -62.5 | -178 | 0 | 0 | 0 | 112.7 | K402 L409 V432 S433 Q456 V459 R492 | K402-L435 HydrophobicContact CG-CD2 3.5Å; K402-L435 VanDerWaalsContact CG-CD2 3.5Å; L409-L435 HydrophobicContact CD1-CD1 3.79Å; V432-L435 HydrophobicContact CG1-CB 3.68Å; V432-L435 HydrophobicContact CG1-CD1 3.56Å; V432-L435 HydrophobicContact CG1-CG 3.83Å; V432-L435 PolarHBondContact O-N 3.02Å; S433-L435 VanDerWaalsContact C-N 3.31Å; S433-L435 PolarHBondContact O-N 2.93Å; L435-Q456 PolarHBondContact O-NE2 2.73Å; L435-V459 HydrophobicContact CB-CG2 4.24Å; L435-R492 WeakPolarHBondContact O-CD 3.39Å; L435-R492 PolarHBondContact O-NE 2.9Å |
| 436 | I | 80.3 | Confident | 77.1 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -103.9 | -22.2 | -172.8 | 59.9 | 155.7 | 0 | 0 | 0 | 114.1 | L429 V432 S433 V459 H484 F485 G488 | L429-I436 HydrophobicContact CB-CD1 4.22Å; L429-I436 VanDerWaalsContact O-CD1 3.23Å; L429-I436 WeakPolarHBondContact O-CD1 3.47Å; V432-I436 PolarHBondContact O-N 3.5Å; S433-I436 VanDerWaalsContact CA-CG1 3.45Å; S433-I436 WeakPolarHBondContact O-CG1 3.31Å; S433-I436 PolarHBondContact O-N 3.28Å; I436-V459 HydrophobicContact CG2-CG1 4.3Å; I436-H484 HydrophobicContact CD1-CB 3.84Å; I436-F485 HydrophobicContact CB-CD1 4.37Å; I436-F485 HydrophobicContact CG2-CD1 3.97Å; I436-F485 HydrophobicContact CG2-CE1 3.71Å; I436-G488 WeakPolarHBondContact O-CA 3.23Å |
| 437 | Q | 79.2 | Confident | 76.1 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -135.5 | 145.9 | -174.1 | -69.6 | 174 | 25.2 | 0 | 0 | 111.1 | S433 Q439 A487 | S433-Q437 PolarHBondContact O-N 3.38Å; Q437-Q439 PolarHBondContact O-N 3.44Å; Q437-A487 HydrophobicContact CG-CB 3.78Å |
| 438 | D | 73.1 | Confident | 75.7 | Confident | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -67.6 | 126.4 | 171.8 | -68 | -42.9 | 0 | 0 | 0 | 109.1 | Q442 R492 | D438-Q442 PolarHBondContact OD1-OE1 3.22Å; D438-R492 VanDerWaalsContact N-NH1 3.15Å; D438-R492 IonicContact OD1-CZ 3.71Å; D438-R492 IonicContact OD1-NH1 2.72Å; D438-R492 PolarHBondContact OD1-NH1 3.14Å; D438-R492 IonicContact OD1-NH2 3.77Å; D438-R492 PolarHBondContact OD1-NH2 2.87Å; D438-R492 IonicContact OD2-NH1 3.41Å | ||
| 439 | Q | 75.1 | Confident | 75.2 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | trans | -98.6 | 147.8 | 179.1 | -62.9 | -60.8 | -41.7 | 0 | 0 | 110.1 | F398 T434 Q437 D441 Q442 | F398-Q439 HydrophobicContact CD2-CB 4.25Å; F398-Q439 HydrophobicContact CE2-CB 4.32Å; F398-Q439 HydrophobicContact CE2-CG 4.41Å; T434-Q439 HydrophobicContact CG2-CG 4.23Å; Q437-Q439 PolarHBondContact O-N 3.44Å; Q439-D441 WeakPolarHBondContact CB-OD1 3.48Å; Q439-D441 PolarHBondContact O-N 2.95Å; Q439-Q442 VanDerWaalsContact O-CB 3.25Å; Q439-Q442 WeakPolarHBondContact O-CB 3.25Å; Q439-Q442 PolarHBondContact O-N 3.44Å; Q439-Q442 VanDerWaalsContact O-N 3.13Å | ||
| 440 | P | 67.1 | Low | 74.9 | Confident | 132 Ų | 132 | 66 Ų | 66 | 86% | 0.857 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.6 | -177.6 | 27.2 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 441 | D | 68.1 | Low | 74.6 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.6 | 178.7 | 67.2 | -51.7 | 0 | 0 | 0 | 113.8 | F398 R401 Q439 | F398-D441 WeakPolarHBondContact CB-OD2 3.35Å; R401-D441 IonicContact CZ-OD2 2.69Å; R401-D441 IonicContact NH2-OD1 2.74Å; R401-D441 PolarHBondContact NH2-OD1 3.42Å; R401-D441 IonicContact NH2-OD2 3.81Å; R401-D441 PolarHBondContact NH2-OD2 2.94Å; Q439-D441 WeakPolarHBondContact CB-OD1 3.48Å; Q439-D441 PolarHBondContact O-N 2.95Å |
| 442 | Q | 73.3 | Confident | 74.6 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | trans | -64.9 | 131 | 178.8 | -175.8 | 169.8 | -12.3 | 0 | 0 | 110.8 | F398 D438 Q439 | F398-Q442 HydrophobicContact CD2-CB 4.22Å; F398-Q442 HydrophobicContact CE1-CG 3.92Å; F398-Q442 HydrophobicContact CE2-CB 3.99Å; F398-Q442 HydrophobicContact CE2-CG 3.94Å; F398-Q442 HydrophobicContact CZ-CB 4.18Å; F398-Q442 HydrophobicContact CZ-CG 3.62Å; D438-Q442 PolarHBondContact OD1-OE1 3.22Å; Q439-Q442 VanDerWaalsContact O-CB 3.25Å; Q439-Q442 WeakPolarHBondContact O-CB 3.25Å; Q439-Q442 PolarHBondContact O-N 3.44Å; Q439-Q442 VanDerWaalsContact O-N 3.13Å | ||
| 443 | P | 71.6 | Confident | 74.6 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | trans | -61.5 | 145.4 | 176 | 23 | -30.8 | 0 | 0 | 0 | 110.9 | F398 D445 | F398-P443 HydrophobicContact CD1-CG 4.33Å; P443-D445 PolarHBondContact O-N 2.98Å | ||
| 444 | A | 61.6 | Low | 74.6 | Confident | 106 Ų | 106 | 73.8 Ų | 73.8 | 88% | 0.876 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76.2 | -4.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 445 | D | 66.1 | Low | 74.9 | Confident | 138 Ų | 138 | 75.2 Ų | 75.2 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -74.7 | 132.5 | 176.2 | -69.8 | -33.5 | 0 | 0 | 0 | 109.8 | P443 | P443-D445 PolarHBondContact O-N 2.98Š|
| 446 | D | 62.8 | Low | 75.2 | Confident | 143 Ų | 143 | 75.2 Ų | 75.2 | 77% | 0.765 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 124.7 | 174.5 | -78.8 | -40.7 | 0 | 0 | 0 | 108.9 | ||
| 447 | P | 67.3 | Low | 75.4 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 29% | 0.286 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 155.3 | 176.5 | 27 | -33.2 | 0 | 0 | 0 | 110 | P449 F452 | P447-P449 WeakPolarHBondContact O-CD 3.25Å; P447-P449 VanDerWaalsContact O-N 3.16Å; P447-F452 HydrophobicContact CB-CB 4.42Å; P447-F452 HydrophobicContact CG-CB 4.3Å; P447-F452 HydrophobicContact CG-CD2 3.96Å; P447-F452 HydrophobicContact CG-CG 4.33Å |
| 448 | D | 76.9 | Confident | 75.8 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 124.1 | 172.3 | -167.6 | -41.7 | 0 | 0 | 0 | 109.1 | E450 D451 F452 | D448-E450 PolarHBondContact O-N 3.41Å; D448-E450 PolarHBondContact OD1-N 3.46Å; D448-D451 HydrophobicContact CB-CB 4.15Å; D448-D451 PolarHBondContact O-N 2.94Å; D448-F452 WeakPolarHBondContact O-CB 3.24Å; D448-F452 PolarHBondContact O-N 3.3Å |
| 449 | P | 77 | Confident | 76.5 | Confident | 103 Ų | 103 | 72.8 Ų | 72.8 | 67% | 0.669 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.3 | -30.8 | -179.9 | -26.1 | 34.3 | 0 | 0 | 0 | 114 | P447 A453 | P447-P449 WeakPolarHBondContact O-CD 3.25Å; P447-P449 VanDerWaalsContact O-N 3.16Å; P449-A453 VanDerWaalsContact O-CB 3.27Å; P449-A453 WeakPolarHBondContact O-CB 3.47Å; P449-A453 PolarHBondContact O-N 3.49Å; P449-A453 VanDerWaalsContact O-N 3.13Å |
| 450 | E | 79.5 | Confident | 76.9 | Confident | 150 Ų | 150 | 71.2 Ų | 71.2 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -73.5 | -52.9 | 179.2 | -67.9 | -172.7 | 178.1 | 0 | 0 | 110.8 | D448 F452 A453 E454 | D448-E450 PolarHBondContact O-N 3.41Å; D448-E450 PolarHBondContact OD1-N 3.46Å; E450-F452 VanDerWaalsContact C-N 3.3Å; E450-F452 PolarHBondContact O-N 2.97Å; E450-A453 WeakPolarHBondContact O-CB 3.23Å; E450-A453 PolarHBondContact O-N 3.18Å; E450-E454 PolarHBondContact O-N 3.21Å |
| 451 | D | 80.9 | Confident | 77.8 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177.7 | -69 | -16.5 | 0 | 0 | 0 | 111.2 | D448 A453 E454 E455 | D448-D451 HydrophobicContact CB-CB 4.15Å; D448-D451 PolarHBondContact O-N 2.94Å; D451-A453 VanDerWaalsContact C-N 3.31Å; D451-A453 PolarHBondContact O-N 2.89Å; D451-E454 PolarHBondContact O-N 3.01Å; D451-E455 VanDerWaalsContact O-CG 3.26Å; D451-E455 WeakPolarHBondContact O-CG 3.45Å; D451-E455 PolarHBondContact O-N 3.19Å |
| 452 | F | 83.3 | Confident | 78.7 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.6 | -177 | -98.1 | 0 | 0 | 0 | 112 | P447 D448 E450 Q456 Q491 R492 Y495 | P447-F452 HydrophobicContact CB-CB 4.42Å; P447-F452 HydrophobicContact CG-CB 4.3Å; P447-F452 HydrophobicContact CG-CD2 3.96Å; P447-F452 HydrophobicContact CG-CG 4.33Å; D448-F452 WeakPolarHBondContact O-CB 3.24Å; D448-F452 PolarHBondContact O-N 3.3Å; E450-F452 VanDerWaalsContact C-N 3.3Å; E450-F452 PolarHBondContact O-N 2.97Å; F452-Q456 HydrophobicContact CD1-CG 4.12Å; F452-Q456 HydrophobicContact CD2-CG 4.48Å; F452-Q456 HydrophobicContact CE1-CG 3.8Å; F452-Q456 HydrophobicContact CE2-CG 4.19Å; F452-Q456 HydrophobicContact CG-CG 4.47Å; F452-Q456 HydrophobicContact CZ-CG 3.86Å; F452-Q456 WeakPolarHBondContact O-CB 3.15Å; F452-Q456 VanDerWaalsContact O-CG 3.25Å; F452-Q456 WeakPolarHBondContact O-CG 3.33Å; F452-Q456 PolarHBondContact O-N 3.15Å; F452-Q491 HydrophobicContact CE1-CB 4.17Å; F452-Q491 HydrophobicContact CZ-CB 4.06Å; F452-R492 HydrophobicContact CE2-CG 4.12Å; F452-R492 HydrophobicContact CZ-CG 3.61Å; F452-Y495 HydrophobicContact CE1-CE2 4.38Å |
| 453 | A | 82.4 | Confident | 79.3 | Confident | 23 Ų | 23 | 67 Ų | 67 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | P449 E450 D451 S457 | P449-A453 VanDerWaalsContact O-CB 3.27Å; P449-A453 WeakPolarHBondContact O-CB 3.47Å; P449-A453 PolarHBondContact O-N 3.49Å; P449-A453 VanDerWaalsContact O-N 3.13Å; E450-A453 WeakPolarHBondContact O-CB 3.23Å; E450-A453 PolarHBondContact O-N 3.18Å; D451-A453 VanDerWaalsContact C-N 3.31Å; D451-A453 PolarHBondContact O-N 2.89Å; A453-S457 WeakPolarHBondContact O-CB 3.22Å; A453-S457 PolarHBondContact O-N 3.25Å; A453-S457 PolarHBondContact O-OG 2.9Å |
| 454 | E | 83.4 | Confident | 80 | Confident | 135 Ų | 135 | 69.1 Ų | 69.1 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 175.4 | -69.6 | -167.8 | 171 | 0 | 0 | 111.7 | E450 D451 Q456 S457 L458 | E450-E454 PolarHBondContact O-N 3.21Å; D451-E454 PolarHBondContact O-N 3.01Å; E454-Q456 PolarHBondContact O-N 3.22Å; E454-S457 WeakPolarHBondContact O-CB 3.43Å; E454-S457 PolarHBondContact O-N 3.34Å; E454-L458 PolarHBondContact O-N 3.46Å |
| 455 | E | 83.8 | Confident | 81.1 | Confident | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177 | -70 | 170.6 | 167.7 | 0 | 0 | 112.2 | K402 D451 S457 L458 V459 | K402-E455 WeakPolarHBondContact CE-OE1 3.38Å; K402-E455 WeakPolarHBondContact CE-OE2 3.35Å; K402-E455 IonicContact NZ-OE1 3.97Å; K402-E455 PolarHBondContact NZ-OE1 2.74Å; K402-E455 IonicContact NZ-OE2 3.06Å; K402-E455 PolarHBondContact NZ-OE2 2.7Å; D451-E455 VanDerWaalsContact O-CG 3.26Å; D451-E455 WeakPolarHBondContact O-CG 3.45Å; D451-E455 PolarHBondContact O-N 3.19Å; E455-S457 VanDerWaalsContact C-N 3.26Å; E455-S457 PolarHBondContact O-N 3.08Å; E455-L458 WeakPolarHBondContact O-CB 3.21Å; E455-L458 PolarHBondContact O-N 3.25Å; E455-V459 PolarHBondContact O-N 3.29Å |
| 456 | Q | 85.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -28.9 | 178.2 | -66.4 | -56.9 | -52 | 0 | 0 | 111.8 | L435 F452 E454 V459 G460 Y495 | L435-Q456 PolarHBondContact O-NE2 2.73Å; F452-Q456 HydrophobicContact CD1-CG 4.12Å; F452-Q456 HydrophobicContact CD2-CG 4.48Å; F452-Q456 HydrophobicContact CE1-CG 3.8Å; F452-Q456 HydrophobicContact CE2-CG 4.19Å; F452-Q456 HydrophobicContact CG-CG 4.47Å; F452-Q456 HydrophobicContact CZ-CG 3.86Å; F452-Q456 WeakPolarHBondContact O-CB 3.15Å; F452-Q456 VanDerWaalsContact O-CG 3.25Å; F452-Q456 WeakPolarHBondContact O-CG 3.33Å; F452-Q456 PolarHBondContact O-N 3.15Å; E454-Q456 PolarHBondContact O-N 3.22Å; Q456-V459 PolarHBondContact O-N 2.93Å; Q456-G460 PolarHBondContact O-N 3.17Å; Q456-Y495 HydrophobicContact CB-CD2 3.74Å; Q456-Y495 HydrophobicContact CB-CG 3.78Å; Q456-Y495 HydrophobicContact CG-CD2 4.17Å |
| 457 | S | 86.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 171.6 | -63.6 | 0 | 0 | 0 | 0 | 112 | A453 E454 E455 G460 R461 | A453-S457 WeakPolarHBondContact O-CB 3.22Å; A453-S457 PolarHBondContact O-N 3.25Å; A453-S457 PolarHBondContact O-OG 2.9Å; E454-S457 WeakPolarHBondContact O-CB 3.43Å; E454-S457 PolarHBondContact O-N 3.34Å; E455-S457 VanDerWaalsContact C-N 3.26Å; E455-S457 PolarHBondContact O-N 3.08Å; S457-G460 PolarHBondContact O-N 3.3Å; S457-R461 WeakPolarHBondContact O-CG 3.38Å; S457-R461 PolarHBondContact O-N 2.63Å |
| 458 | L | 87.5 | Confident | 84.3 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 171.4 | -73 | 167.9 | 0 | 0 | 0 | 111.2 | L413 E454 E455 G460 R461 F462 | L413-L458 HydrophobicContact CD1-CD2 3.94Å; E454-L458 PolarHBondContact O-N 3.46Å; E455-L458 WeakPolarHBondContact O-CB 3.21Å; E455-L458 PolarHBondContact O-N 3.25Å; L458-G460 VanDerWaalsContact C-N 3.32Å; L458-G460 PolarHBondContact O-N 2.86Å; L458-R461 PolarHBondContact O-N 3.05Å; L458-F462 WeakPolarHBondContact O-CB 3.39Å; L458-F462 PolarHBondContact O-N 3.4Å |
| 459 | V | 86.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | L409 L435 I436 E455 Q456 R461 F462 I463 F485 T496 | L409-V459 HydrophobicContact CD1-CG2 3.97Å; L435-V459 HydrophobicContact CB-CG2 4.24Å; I436-V459 HydrophobicContact CG2-CG1 4.3Å; E455-V459 PolarHBondContact O-N 3.29Å; Q456-V459 PolarHBondContact O-N 2.93Å; V459-R461 PolarHBondContact O-N 3.46Å; V459-F462 WeakPolarHBondContact O-CB 3.42Å; V459-F462 PolarHBondContact O-N 2.92Å; V459-I463 PolarHBondContact O-N 3.47Å; V459-F485 HydrophobicContact CG1-CD1 4.47Å; V459-F485 HydrophobicContact CG1-CE1 3.57Å; V459-F485 HydrophobicContact CG1-CZ 4.04Å; V459-T496 HydrophobicContact CB-CG2 4.19Å; V459-T496 HydrophobicContact CG1-CG2 3.66Å |
| 460 | G | 84.8 | Confident | 85.2 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q456 S457 L458 F462 I463 | Q456-G460 PolarHBondContact O-N 3.17Å; S457-G460 PolarHBondContact O-N 3.3Å; L458-G460 VanDerWaalsContact C-N 3.32Å; L458-G460 PolarHBondContact O-N 2.86Å; G460-F462 VanDerWaalsContact C-N 3.34Å; G460-I463 PolarHBondContact O-N 3.21Å |
| 461 | R | 85.4 | Confident | 85.5 | Confident | 153 Ų | 153 | 50.5 Ų | 50.5 | 58% | 0.577 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 174.3 | -73 | 176.3 | 64.6 | -172.4 | -2.6 | 111.9 | L413 S457 L458 V459 I463 H464 | L413-R461 HydrophobicContact CD1-CB 4.25Å; L413-R461 HydrophobicContact CD2-CB 4.06Å; S457-R461 WeakPolarHBondContact O-CG 3.38Å; S457-R461 PolarHBondContact O-N 2.63Å; L458-R461 PolarHBondContact O-N 3.05Å; V459-R461 PolarHBondContact O-N 3.46Å; R461-I463 VanDerWaalsContact C-N 3.25Å; R461-I463 PolarHBondContact O-N 3.09Å; R461-H464 WeakPolarHBondContact O-CB 3.42Å; R461-H464 PolarHBondContact O-N 3.42Å; R461-H464 VanDerWaalsContact O-N 3.09Å |
| 462 | F | 86.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -34 | -179.5 | 179.7 | -116.9 | 0 | 0 | 0 | 113 | L409 T412 I419 I428 L429 L458 V459 G460 H464 L465 F466 | L409-F462 HydrophobicContact CD2-CB 4.46Å; L409-F462 HydrophobicContact CD2-CD1 3.8Å; L409-F462 HydrophobicContact CD2-CD2 3.8Å; L409-F462 HydrophobicContact CD2-CE1 3.88Å; L409-F462 HydrophobicContact CD2-CE2 3.92Å; L409-F462 HydrophobicContact CD2-CG 3.76Å; L409-F462 HydrophobicContact CD2-CZ 3.96Å; T412-F462 HydrophobicContact CG2-CE2 3.96Å; I419-F462 HydrophobicContact CD1-CE1 4.45Å; I419-F462 HydrophobicContact CD1-CE2 3.56Å; I419-F462 HydrophobicContact CD1-CZ 3.37Å; I428-F462 HydrophobicContact CB-CZ 4.4Å; I428-F462 HydrophobicContact CD1-CZ 4.24Å; I428-F462 HydrophobicContact CG2-CE1 3.88Å; I428-F462 HydrophobicContact CG2-CZ 3.55Å; L429-F462 HydrophobicContact CD2-CE1 4.38Å; L458-F462 WeakPolarHBondContact O-CB 3.39Å; L458-F462 PolarHBondContact O-N 3.4Å; V459-F462 WeakPolarHBondContact O-CB 3.42Å; V459-F462 PolarHBondContact O-N 2.92Å; G460-F462 VanDerWaalsContact C-N 3.34Å; F462-H464 PolarHBondContact O-N 2.88Å; F462-H464 VanDerWaalsContact O-N 3.13Å; F462-L465 HydrophobicContact CD2-CD1 4.08Å; F462-L465 HydrophobicContact CE2-CD1 4.41Å; F462-L465 WeakPolarHBondContact O-CB 3.32Å; F462-L465 PolarHBondContact O-N 3.42Å; F462-F466 AromaticContact CD1-CE1 3.98Å; F462-F466 HydrophobicContact CD1-CE1 3.98Å; F462-F466 AromaticContact CD1-CZ 3.76Å; F462-F466 HydrophobicContact CD1-CZ 3.76Å; F462-F466 AromaticContact CE1-CE1 3.39Å; F462-F466 HydrophobicContact CE1-CE1 3.39Å; F462-F466 AromaticContact CE1-CZ 3.36Å; F462-F466 HydrophobicContact CE1-CZ 3.36Å; F462-F466 HydrophobicContact CE2-CE1 4.3Å; F462-F466 AromaticContact CZ-CE1 3.55Å; F462-F466 HydrophobicContact CZ-CE1 3.55Å; F462-F466 HydrophobicContact CZ-CZ 4.03Å |
| 463 | I | 85.6 | Confident | 86 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -57.4 | -30.2 | 176.3 | -64.9 | 168.2 | 0 | 0 | 0 | 112 | V459 G460 R461 L465 F466 F485 T496 P499 L500 | V459-I463 PolarHBondContact O-N 3.47Å; G460-I463 PolarHBondContact O-N 3.21Å; R461-I463 VanDerWaalsContact C-N 3.25Å; R461-I463 PolarHBondContact O-N 3.09Å; I463-L465 PolarHBondContact O-N 3.34Å; I463-F466 HydrophobicContact CG1-CE2 4.38Å; I463-F466 HydrophobicContact CG2-CD2 4.38Å; I463-F466 WeakPolarHBondContact O-CB 3.4Å; I463-F466 PolarHBondContact O-N 3.2Å; I463-F485 HydrophobicContact CD1-CD2 4.29Å; I463-F485 HydrophobicContact CD1-CE2 3.57Å; I463-F485 HydrophobicContact CD1-CZ 3.89Å; I463-F485 HydrophobicContact CG1-CE2 3.71Å; I463-F485 HydrophobicContact CG1-CZ 3.8Å; I463-T496 WeakPolarHBondContact CD1-O 3.24Å; I463-P499 HydrophobicContact CB-CB 4.28Å; I463-P499 HydrophobicContact CD1-CB 4.05Å; I463-P499 HydrophobicContact CD1-CG 4.45Å; I463-P499 HydrophobicContact CG2-CB 4.22Å; I463-L500 HydrophobicContact CG2-CD1 4.47Å |
| 464 | H | 86.2 | Confident | 86.4 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 55% | 0.546 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -70.5 | -16 | 178.5 | -68.2 | -69.9 | 0 | 0 | 0 | 113.9 | R461 F462 F466 | R461-H464 WeakPolarHBondContact O-CB 3.42Å; R461-H464 PolarHBondContact O-N 3.42Å; R461-H464 VanDerWaalsContact O-N 3.09Å; F462-H464 PolarHBondContact O-N 2.88Å; F462-H464 VanDerWaalsContact O-N 3.13Å; H464-F466 VanDerWaalsContact C-N 3.29Å |
| 465 | L | 86.6 | Confident | 86.7 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -81.9 | -8.8 | 174.1 | -62.4 | -176.4 | 0 | 0 | 0 | 113.2 | T412 L413 I419 F462 I463 H467 | T412-L465 HydrophobicContact CG2-CD1 4.03Å; L413-L465 HydrophobicContact CD2-CD1 3.79Å; L413-L465 HydrophobicContact CD2-CG 4.15Å; L413-L465 HydrophobicContact CG-CD1 4.35Å; I419-L465 PolarHBondContact N-O 3.46Å; F462-L465 HydrophobicContact CD2-CD1 4.08Å; F462-L465 HydrophobicContact CE2-CD1 4.41Å; F462-L465 WeakPolarHBondContact O-CB 3.32Å; F462-L465 PolarHBondContact O-N 3.42Å; I463-L465 PolarHBondContact O-N 3.34Å; L465-H467 PolarHBondContact O-N 3.27Å; L465-H467 VanDerWaalsContact O-N 3.08Å |
| 466 | F | 87.8 | Confident | 87 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -78.1 | 91.4 | 174.4 | -61.4 | -15.9 | 0 | 0 | 0 | 109.7 | I419 V425 L429 F462 I463 H464 Q474 I477 A481 | I419-F466 HydrophobicContact CB-CD1 4.1Å; I419-F466 HydrophobicContact CD1-CD1 3.83Å; I419-F466 HydrophobicContact CD1-CE1 3.6Å; V425-F466 HydrophobicContact CG1-CE2 4.26Å; V425-F466 HydrophobicContact CG1-CZ 4.12Å; V425-F466 HydrophobicContact CG2-CD1 4.13Å; V425-F466 HydrophobicContact CG2-CE1 4.17Å; V425-F466 HydrophobicContact CG2-CG 4.49Å; L429-F466 HydrophobicContact CD2-CZ 4.37Å; F462-F466 AromaticContact CD1-CE1 3.98Å; F462-F466 HydrophobicContact CD1-CE1 3.98Å; F462-F466 AromaticContact CD1-CZ 3.76Å; F462-F466 HydrophobicContact CD1-CZ 3.76Å; F462-F466 AromaticContact CE1-CE1 3.39Å; F462-F466 HydrophobicContact CE1-CE1 3.39Å; F462-F466 AromaticContact CE1-CZ 3.36Å; F462-F466 HydrophobicContact CE1-CZ 3.36Å; F462-F466 HydrophobicContact CE2-CE1 4.3Å; F462-F466 AromaticContact CZ-CE1 3.55Å; F462-F466 HydrophobicContact CZ-CE1 3.55Å; F462-F466 HydrophobicContact CZ-CZ 4.03Å; I463-F466 HydrophobicContact CG1-CE2 4.38Å; I463-F466 HydrophobicContact CG2-CD2 4.38Å; I463-F466 WeakPolarHBondContact O-CB 3.4Å; I463-F466 PolarHBondContact O-N 3.2Å; H464-F466 VanDerWaalsContact C-N 3.29Å; F466-Q474 PolarHBondContact O-NE2 2.83Å; F466-I477 HydrophobicContact CB-CG2 3.8Å; F466-I477 HydrophobicContact CD2-CG2 4.21Å; F466-I477 HydrophobicContact CG-CG2 4.09Å; F466-A481 HydrophobicContact CD2-CB 4.41Å; F466-A481 HydrophobicContact CE2-CB 4.07Å |
| 467 | H | 86.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | trans | -137.5 | 120.2 | 179.2 | -170.9 | 80.4 | 0 | 0 | 0 | 111.2 | I418 I419 L465 R510 | I418-H467 HydrophobicContact CG2-CB 3.89Å; I418-H467 WeakPolarHBondContact CG2-O 3.43Å; I419-H467 PolarHBondContact O-N 2.91Å; L465-H467 PolarHBondContact O-N 3.27Å; L465-H467 VanDerWaalsContact O-N 3.08Å; H467-R510 PolarHBondContact CE1-NH1 3.45Å | ||
| 468 | S | 87.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | trans | -112.6 | 145.7 | 169.3 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | V420 D470 R510 | V420-S468 PolarHBondContact O-OG 2.9Å; S468-D470 VanDerWaalsContact C-N 3.26Å; S468-R510 PolarHBondContact O-NH1 3.48Å | ||
| 469 | E | 85.2 | Confident | 87.7 | Confident | 163 Ų | 163 | 46.1 Ų | 46.1 | 76% | 0.762 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -69.1 | -29.3 | 173.6 | -69.2 | -170.1 | 171.8 | 0 | 0 | 112 | P471 R510 | E469-P471 WeakPolarHBondContact O-CD 3.08Å; E469-R510 VanDerWaalsContact O-CZ 3.29Å; E469-R510 PolarHBondContact O-NH2 3.18Å |
| 470 | D | 87.6 | Confident | 87.9 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 42% | 0.417 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -84.3 | 119.2 | 176.6 | 177.4 | 37.2 | 0 | 0 | 0 | 111 | S468 D472 Q473 Q474 | S468-D470 VanDerWaalsContact C-N 3.26Å; D470-D472 VanDerWaalsContact C-N 3.27Å; D470-D472 PolarHBondContact O-N 3.46Å; D470-D472 PolarHBondContact OD1-N 2.91Å; D470-Q473 HydrophobicContact CB-CB 3.95Å; D470-Q473 PolarHBondContact O-N 3.45Å; D470-Q473 WeakPolarHBondContact OD2-CB 3.39Å; D470-Q473 PolarHBondContact OD2-N 3.5Å; D470-Q474 PolarHBondContact O-N 3.36Å |
| 471 | P | 85.1 | Confident | 88.1 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -31.5 | 178.5 | -24.4 | 35.2 | 0 | 0 | 0 | 114.1 | E469 Y475 L507 Y511 | E469-P471 WeakPolarHBondContact O-CD 3.08Å; P471-Y475 PolarHBondContact O-N 3.43Å; P471-Y475 VanDerWaalsContact O-N 3.11Å; P471-L507 HydrophobicContact CB-CD1 4.03Å; P471-Y511 HydrophobicContact CB-CD1 4.32Å; P471-Y511 HydrophobicContact CB-CE1 3.64Å; P471-Y511 HydrophobicContact CB-CE2 3.91Å; P471-Y511 VanDerWaalsContact CB-CZ 3.41Å; P471-Y511 WeakPolarHBondContact CB-OH 3.25Å; P471-Y511 PolarHBondContact O-OH 2.9Å |
| 472 | D | 87.5 | Confident | 88.3 | Confident | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -73.3 | -45.4 | -179.9 | -77.3 | -35.7 | 0 | 0 | 0 | 110.3 | D470 Q474 Y475 L476 Y511 K524 | D470-D472 VanDerWaalsContact C-N 3.27Å; D470-D472 PolarHBondContact O-N 3.46Å; D470-D472 PolarHBondContact OD1-N 2.91Å; D472-Q474 VanDerWaalsContact C-N 3.31Å; D472-Q474 PolarHBondContact O-N 2.87Å; D472-Y475 WeakPolarHBondContact O-CB 3.37Å; D472-Y475 PolarHBondContact O-N 2.93Å; D472-Y475 VanDerWaalsContact O-N 3.13Å; D472-L476 PolarHBondContact O-N 3.24Å; D472-L476 VanDerWaalsContact O-N 3.11Å; D472-Y511 PolarHBondContact N-OH 3.43Å; D472-Y511 PolarHBondContact OD1-OH 2.96Å; D472-K524 VanDerWaalsContact OD1-CE 3.25Å; D472-K524 WeakPolarHBondContact OD1-CE 3.35Å; D472-K524 IonicContact OD1-NZ 3.39Å; D472-K524 PolarHBondContact OD1-NZ 3.45Å; D472-K524 IonicContact OD2-NZ 3.29Å; D472-K524 PolarHBondContact OD2-NZ 2.97Å |
| 473 | Q | 88.6 | Confident | 88.5 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 171.3 | -170.8 | 66.9 | -0.7 | 0 | 0 | 112.4 | Q422 D470 Y475 L476 I477 | Q422-Q473 VanDerWaalsContact N-NE2 3.19Å; D470-Q473 HydrophobicContact CB-CB 3.95Å; D470-Q473 PolarHBondContact O-N 3.45Å; D470-Q473 WeakPolarHBondContact OD2-CB 3.39Å; D470-Q473 PolarHBondContact OD2-N 3.5Å; Q473-Y475 VanDerWaalsContact C-N 3.29Å; Q473-Y475 PolarHBondContact O-N 3.34Å; Q473-L476 WeakPolarHBondContact O-CB 3.02Å; Q473-L476 PolarHBondContact O-N 3.28Å; Q473-L476 VanDerWaalsContact O-N 3.16Å; Q473-I477 HydrophobicContact CG-CD1 4.33Å; Q473-I477 WeakPolarHBondContact O-CG1 3.49Å; Q473-I477 PolarHBondContact O-N 2.9Å |
| 474 | Q | 89.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 174.4 | -174.3 | 66 | 18 | 0 | 0 | 111.6 | F466 D470 D472 L476 I477 L478 L507 | F466-Q474 PolarHBondContact O-NE2 2.83Å; D470-Q474 PolarHBondContact O-N 3.36Å; D472-Q474 VanDerWaalsContact C-N 3.31Å; D472-Q474 PolarHBondContact O-N 2.87Å; Q474-L476 VanDerWaalsContact C-N 3.35Å; Q474-L476 PolarHBondContact O-N 2.97Å; Q474-I477 WeakPolarHBondContact O-CB 3.42Å; Q474-I477 PolarHBondContact O-N 3.05Å; Q474-L478 VanDerWaalsContact O-CG 3.32Å; Q474-L478 WeakPolarHBondContact O-CG 3.46Å; Q474-L478 PolarHBondContact O-N 3.4Å; Q474-L507 HydrophobicContact CB-CD1 4.01Å; Q474-L507 HydrophobicContact CB-CD2 4.44Å; Q474-L507 HydrophobicContact CG-CD1 3.94Å; Q474-L507 HydrophobicContact CG-CD2 4.19Å |
| 475 | Y | 90 | Very high | 88.6 | Confident | 54 Ų | 54 | 44 Ų | 44 | 21% | 0.212 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.1 | -175 | -109 | 0 | 0 | 0 | 112.2 | P471 D472 Q473 L478 N479 L507 I528 F531 | P471-Y475 PolarHBondContact O-N 3.43Å; P471-Y475 VanDerWaalsContact O-N 3.11Å; D472-Y475 WeakPolarHBondContact O-CB 3.37Å; D472-Y475 PolarHBondContact O-N 2.93Å; D472-Y475 VanDerWaalsContact O-N 3.13Å; Q473-Y475 VanDerWaalsContact C-N 3.29Å; Q473-Y475 PolarHBondContact O-N 3.34Å; Y475-L478 PolarHBondContact O-N 2.9Å; Y475-N479 WeakPolarHBondContact CD1-ND2 3.15Å; Y475-N479 WeakPolarHBondContact CE1-ND2 3.41Å; Y475-N479 VanDerWaalsContact CZ-ND2 3.34Å; Y475-N479 PolarHBondContact O-N 3.33Å; Y475-N479 PolarHBondContact O-ND2 2.98Å; Y475-L507 HydrophobicContact CD2-CD2 4.19Å; Y475-I528 HydrophobicContact CD2-CG1 3.85Å; Y475-I528 HydrophobicContact CE2-CG1 3.84Å; Y475-F531 HydrophobicContact CE2-CB 4.48Å |
| 476 | L | 90.9 | Very high | 88.5 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.2 | -67.4 | 176.1 | 0 | 0 | 0 | 111.9 | D472 Q473 Q474 L478 N479 T480 | D472-L476 PolarHBondContact O-N 3.24Å; D472-L476 VanDerWaalsContact O-N 3.11Å; Q473-L476 WeakPolarHBondContact O-CB 3.02Å; Q473-L476 PolarHBondContact O-N 3.28Å; Q473-L476 VanDerWaalsContact O-N 3.16Å; Q474-L476 VanDerWaalsContact C-N 3.35Å; Q474-L476 PolarHBondContact O-N 2.97Å; L476-L478 PolarHBondContact O-N 3.39Å; L476-N479 PolarHBondContact O-N 2.73Å; L476-T480 PolarHBondContact O-N 2.92Å; L476-T480 PolarHBondContact O-OG1 3.37Å |
| 477 | I | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.6 | -49.4 | 174 | -72.2 | 165.4 | 0 | 0 | 0 | 110.9 | V420 V425 F466 Q473 Q474 N479 T480 A481 | V420-I477 WeakPolarHBondContact O-CD1 3.46Å; V425-I477 HydrophobicContact CG2-CB 4.49Å; V425-I477 HydrophobicContact CG2-CG1 4.19Å; V425-I477 HydrophobicContact CG2-CG2 3.78Å; F466-I477 HydrophobicContact CB-CG2 3.8Å; F466-I477 HydrophobicContact CD2-CG2 4.21Å; F466-I477 HydrophobicContact CG-CG2 4.09Å; Q473-I477 HydrophobicContact CG-CD1 4.33Å; Q473-I477 WeakPolarHBondContact O-CG1 3.49Å; Q473-I477 PolarHBondContact O-N 2.9Å; Q474-I477 WeakPolarHBondContact O-CB 3.42Å; Q474-I477 PolarHBondContact O-N 3.05Å; I477-N479 VanDerWaalsContact C-N 3.31Å; I477-N479 PolarHBondContact O-N 3.25Å; I477-T480 PolarHBondContact O-N 2.69Å; I477-A481 WeakPolarHBondContact O-CB 3.35Å; I477-A481 PolarHBondContact O-N 3.48Å |
| 478 | L | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -36.4 | 179.8 | -65.7 | 175.3 | 0 | 0 | 0 | 112.3 | Q474 Y475 L476 R482 L500 A503 A504 L507 F531 | Q474-L478 VanDerWaalsContact O-CG 3.32Å; Q474-L478 WeakPolarHBondContact O-CG 3.46Å; Q474-L478 PolarHBondContact O-N 3.4Å; Y475-L478 PolarHBondContact O-N 2.9Å; L476-L478 PolarHBondContact O-N 3.39Å; L478-R482 WeakPolarHBondContact O-CB 3.33Å; L478-R482 PolarHBondContact O-N 2.97Å; L478-L500 HydrophobicContact CB-CD1 4.31Å; L478-L500 HydrophobicContact CD2-CD1 3.5Å; L478-L500 VanDerWaalsContact CD2-CD1 3.5Å; L478-L500 HydrophobicContact CG-CD1 4.49Å; L478-A503 HydrophobicContact CD2-CB 3.83Å; L478-A504 HydrophobicContact CD1-CB 4.42Å; L478-L507 HydrophobicContact CD1-CB 4.47Å; L478-L507 HydrophobicContact CD1-CD2 3.8Å; L478-F531 HydrophobicContact CB-CZ 4.3Å |
| 479 | N | 91.2 | Very high | 87.2 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.5 | -77.8 | -53.6 | 0 | 0 | 0 | 112.6 | Y475 L476 I477 R482 K483 F531 | Y475-N479 WeakPolarHBondContact CD1-ND2 3.15Å; Y475-N479 WeakPolarHBondContact CE1-ND2 3.41Å; Y475-N479 VanDerWaalsContact CZ-ND2 3.34Å; Y475-N479 PolarHBondContact O-N 3.33Å; Y475-N479 PolarHBondContact O-ND2 2.98Å; L476-N479 PolarHBondContact O-N 2.73Å; I477-N479 VanDerWaalsContact C-N 3.31Å; I477-N479 PolarHBondContact O-N 3.25Å; N479-R482 WeakPolarHBondContact O-CB 3.2Å; N479-R482 PolarHBondContact O-N 2.96Å; N479-K483 PolarHBondContact O-N 2.88Å; N479-F531 WeakPolarHBondContact OD1-CD2 3.49Å; N479-F531 WeakPolarHBondContact OD1-CE2 3.36Å |
| 480 | T | 90.1 | Very high | 86.9 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | Q422 V425 D426 L476 I477 R482 K483 H484 | Q422-T480 VanDerWaalsContact CG-OG1 3.24Å; Q422-T480 WeakPolarHBondContact CG-OG1 3.14Å; Q422-T480 PolarHBondContact NE2-OG1 2.82Å; V425-T480 HydrophobicContact CG1-CG2 4.31Å; D426-T480 HydrophobicContact CB-CG2 4.04Å; L476-T480 PolarHBondContact O-N 2.92Å; L476-T480 PolarHBondContact O-OG1 3.37Å; I477-T480 PolarHBondContact O-N 2.69Å; T480-R482 VanDerWaalsContact C-N 3.32Å; T480-R482 PolarHBondContact O-N 3.43Å; T480-K483 WeakPolarHBondContact O-CB 3.23Å; T480-K483 PolarHBondContact O-N 3.07Å; T480-H484 PolarHBondContact O-CD2 3.38Å; T480-H484 VanDerWaalsContact O-CD2 3.29Å; T480-H484 PolarHBondContact O-N 2.87Å; T480-H484 VanDerWaalsContact O-N 3.16Å |
| 481 | A | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L429 F466 I477 K483 H484 F485 L500 | L429-A481 HydrophobicContact CD1-CB 4.3Å; F466-A481 HydrophobicContact CD2-CB 4.41Å; F466-A481 HydrophobicContact CE2-CB 4.07Å; I477-A481 WeakPolarHBondContact O-CB 3.35Å; I477-A481 PolarHBondContact O-N 3.48Å; A481-K483 VanDerWaalsContact C-N 3.33Å; A481-K483 PolarHBondContact O-N 3.16Å; A481-H484 PolarHBondContact O-N 2.74Å; A481-F485 HydrophobicContact CB-CD2 4.17Å; A481-F485 HydrophobicContact CB-CE2 3.85Å; A481-F485 WeakPolarHBondContact O-CD2 3.49Å; A481-F485 WeakPolarHBondContact O-CG 3.33Å; A481-F485 PolarHBondContact O-N 2.92Å; A481-L500 HydrophobicContact CB-CD1 3.94Å |
| 482 | R | 89.6 | Confident | 86.4 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 177.1 | -175.9 | 61 | -175.5 | 100.6 | -1 | 113.1 | L478 N479 T480 G486 L500 F531 T535 | L478-R482 WeakPolarHBondContact O-CB 3.33Å; L478-R482 PolarHBondContact O-N 2.97Å; N479-R482 WeakPolarHBondContact O-CB 3.2Å; N479-R482 PolarHBondContact O-N 2.96Å; T480-R482 VanDerWaalsContact C-N 3.32Å; T480-R482 PolarHBondContact O-N 3.43Å; R482-G486 VanDerWaalsContact NH1-CA 3.29Å; R482-G486 WeakPolarHBondContact O-CA 3.43Å; R482-G486 PolarHBondContact O-N 3.3Å; R482-L500 HydrophobicContact CB-CD2 3.78Å; R482-L500 HydrophobicContact CG-CD2 4.3Å; R482-F531 HydrophobicContact CB-CE2 3.54Å; R482-F531 HydrophobicContact CB-CZ 3.73Å; R482-F531 HydrophobicContact CG-CE2 3.67Å; R482-F531 HydrophobicContact CG-CZ 4.01Å; R482-T535 VanDerWaalsContact CD-OG1 3.3Å; R482-T535 WeakPolarHBondContact CD-OG1 3.34Å; R482-T535 PolarHBondContact NE-OG1 2.97Å |
| 483 | K | 90.1 | Very high | 86.3 | Confident | 163 Ų | 163 | 39.3 Ų | 39.3 | 71% | 0.709 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.4 | -46.2 | 179.3 | -177.5 | -174.5 | 173.1 | -166.9 | 0 | 110.7 | N479 T480 A481 | N479-K483 PolarHBondContact O-N 2.88Å; T480-K483 WeakPolarHBondContact O-CB 3.23Å; T480-K483 PolarHBondContact O-N 3.07Å; A481-K483 VanDerWaalsContact C-N 3.33Å; A481-K483 PolarHBondContact O-N 3.16Å |
| 484 | H | 87.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.1 | -49.8 | 178.9 | -79.6 | -66.4 | 0 | 0 | 0 | 112.7 | D426 L429 I436 T480 A481 G486 A487 | D426-H484 IonicContact OD1-CD2 2.77Å; D426-H484 IonicContact OD1-CE1 3.82Å; D426-H484 IonicContact OD1-NE2 3.02Å; D426-H484 PolarHBondContact OD1-NE2 3.29Å; L429-H484 HydrophobicContact CB-CB 4.22Å; L429-H484 HydrophobicContact CD1-CB 3.85Å; I436-H484 HydrophobicContact CD1-CB 3.84Å; T480-H484 PolarHBondContact O-CD2 3.38Å; T480-H484 VanDerWaalsContact O-CD2 3.29Å; T480-H484 PolarHBondContact O-N 2.87Å; T480-H484 VanDerWaalsContact O-N 3.16Å; A481-H484 PolarHBondContact O-N 2.74Å; H484-G486 VanDerWaalsContact C-N 3.27Å; H484-G486 PolarHBondContact O-N 3.42Å; H484-A487 PolarHBondContact O-N 2.84Å |
| 485 | F | 86.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -27.1 | 178.5 | -61.3 | -45.1 | 0 | 0 | 0 | 113 | L429 I436 V459 I463 A481 A487 G488 I493 T496 L497 | L429-F485 HydrophobicContact CD2-CE1 3.97Å; L429-F485 HydrophobicContact CD2-CZ 3.93Å; I436-F485 HydrophobicContact CB-CD1 4.37Å; I436-F485 HydrophobicContact CG2-CD1 3.97Å; I436-F485 HydrophobicContact CG2-CE1 3.71Å; V459-F485 HydrophobicContact CG1-CD1 4.47Å; V459-F485 HydrophobicContact CG1-CE1 3.57Å; V459-F485 HydrophobicContact CG1-CZ 4.04Å; I463-F485 HydrophobicContact CD1-CD2 4.29Å; I463-F485 HydrophobicContact CD1-CE2 3.57Å; I463-F485 HydrophobicContact CD1-CZ 3.89Å; I463-F485 HydrophobicContact CG1-CE2 3.71Å; I463-F485 HydrophobicContact CG1-CZ 3.8Å; A481-F485 HydrophobicContact CB-CD2 4.17Å; A481-F485 HydrophobicContact CB-CE2 3.85Å; A481-F485 WeakPolarHBondContact O-CD2 3.49Å; A481-F485 WeakPolarHBondContact O-CG 3.33Å; A481-F485 PolarHBondContact O-N 2.92Å; F485-A487 PolarHBondContact O-N 3.19Å; F485-G488 PolarHBondContact O-N 3.22Å; F485-G488 VanDerWaalsContact O-N 3.15Å; F485-I493 WeakPolarHBondContact O-CG1 3.4Å; F485-T496 HydrophobicContact CD1-CG2 4.12Å; F485-T496 HydrophobicContact CE1-CG2 4.33Å; F485-L497 HydrophobicContact CB-CD2 3.84Å |
| 486 | G | 83.1 | Confident | 85.6 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.1 | -22.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R482 H484 G488 | R482-G486 VanDerWaalsContact NH1-CA 3.29Å; R482-G486 WeakPolarHBondContact O-CA 3.43Å; R482-G486 PolarHBondContact O-N 3.3Å; H484-G486 VanDerWaalsContact C-N 3.27Å; H484-G486 PolarHBondContact O-N 3.42Å; G486-G488 VanDerWaalsContact C-N 3.3Å |
| 487 | A | 82.5 | Confident | 85.4 | Confident | 56 Ų | 56 | 40.1 Ų | 40.1 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q437 H484 F485 G489 | Q437-A487 HydrophobicContact CG-CB 3.78Å; H484-A487 PolarHBondContact O-N 2.84Å; F485-A487 PolarHBondContact O-N 3.19Å; A487-G489 VanDerWaalsContact C-N 3.34Å; A487-G489 PolarHBondContact O-N 2.96Å |
| 488 | G | 73.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -81.6 | 2.7 | -170 | 0 | 0 | 0 | 0 | 0 | 118.3 | I436 F485 G486 R492 | I436-G488 WeakPolarHBondContact O-CA 3.23Å; F485-G488 PolarHBondContact O-N 3.22Å; F485-G488 VanDerWaalsContact O-N 3.15Å; G486-G488 VanDerWaalsContact C-N 3.3Å; G488-R492 WeakPolarHBondContact O-CB 3.43Å; G488-R492 WeakPolarHBondContact O-CG 2.97Å; G488-R492 PolarHBondContact O-NH1 3.28Å |
| 489 | G | 80.8 | Confident | 85.3 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 26% | 0.258 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | 73.4 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A487 Q491 I493 | A487-G489 VanDerWaalsContact C-N 3.34Å; A487-G489 PolarHBondContact O-N 2.96Å; G489-Q491 VanDerWaalsContact C-N 3.35Å; G489-Q491 PolarHBondContact O-N 3.06Å; G489-I493 WeakPolarHBondContact O-CB 3.23Å; G489-I493 VanDerWaalsContact O-CD1 3.32Å; G489-I493 WeakPolarHBondContact O-CD1 3.45Å; G489-I493 WeakPolarHBondContact O-CG1 3.21Å; G489-I493 PolarHBondContact O-N 3.39Å |
| 490 | N | 78.1 | Confident | 85.3 | Confident | 93 Ų | 93 | 39.2 Ų | 39.2 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66 | -33.1 | -170.4 | -71 | -5.8 | 0 | 0 | 0 | 113.4 | A542 | N490-A542 HydrophobicContact CB-CB 3.81Å |
| 491 | Q | 79.2 | Confident | 85.3 | Confident | 121 Ų | 121 | 38.7 Ų | 38.7 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -71.9 | -43.3 | -176.2 | -66 | -177.2 | -6.2 | 0 | 0 | 113 | F452 G489 | F452-Q491 HydrophobicContact CE1-CB 4.17Å; F452-Q491 HydrophobicContact CZ-CB 4.06Å; G489-Q491 VanDerWaalsContact C-N 3.35Å; G489-Q491 PolarHBondContact O-N 3.06Å |
| 492 | R | 83.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77.1 | -35 | -178.5 | -62.4 | -171.2 | -174.6 | 91.2 | 0.2 | 113 | L435 D438 F452 G488 R494 Y495 T496 | L435-R492 WeakPolarHBondContact O-CD 3.39Å; L435-R492 PolarHBondContact O-NE 2.9Å; D438-R492 VanDerWaalsContact N-NH1 3.15Å; D438-R492 IonicContact OD1-CZ 3.71Å; D438-R492 IonicContact OD1-NH1 2.72Å; D438-R492 PolarHBondContact OD1-NH1 3.14Å; D438-R492 IonicContact OD1-NH2 3.77Å; D438-R492 PolarHBondContact OD1-NH2 2.87Å; D438-R492 IonicContact OD2-NH1 3.41Å; F452-R492 HydrophobicContact CE2-CG 4.12Å; F452-R492 HydrophobicContact CZ-CG 3.61Å; G488-R492 WeakPolarHBondContact O-CB 3.43Å; G488-R492 WeakPolarHBondContact O-CG 2.97Å; G488-R492 PolarHBondContact O-NH1 3.28Å; R492-R494 PolarHBondContact O-N 3.29Å; R492-R494 VanDerWaalsContact O-N 3.14Å; R492-Y495 PolarHBondContact O-N 3.38Å; R492-Y495 VanDerWaalsContact O-N 3.08Å; R492-T496 PolarHBondContact O-N 3.3Å; R492-T496 PolarHBondContact O-OG1 3.16Å |
| 493 | I | 84.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.4 | -32.1 | -178.5 | -84.1 | 172.5 | 0 | 0 | 0 | 111.9 | F485 G489 Y495 T496 L497 L539 A542 | F485-I493 WeakPolarHBondContact O-CG1 3.4Å; G489-I493 WeakPolarHBondContact O-CB 3.23Å; G489-I493 VanDerWaalsContact O-CD1 3.32Å; G489-I493 WeakPolarHBondContact O-CD1 3.45Å; G489-I493 WeakPolarHBondContact O-CG1 3.21Å; G489-I493 PolarHBondContact O-N 3.39Å; I493-Y495 PolarHBondContact O-N 2.92Å; I493-T496 PolarHBondContact O-N 3.2Å; I493-L497 HydrophobicContact CB-CD1 4.26Å; I493-L497 HydrophobicContact CB-CG 4.32Å; I493-L497 HydrophobicContact CG1-CD1 4.19Å; I493-L497 HydrophobicContact CG1-CG 4.31Å; I493-L497 HydrophobicContact CG2-CD1 3.39Å; I493-L497 HydrophobicContact CG2-CG 3.81Å; I493-L497 PolarHBondContact O-N 3.29Å; I493-L497 VanDerWaalsContact O-N 3.16Å; I493-L539 HydrophobicContact CG2-CD2 3.47Å; I493-L539 VanDerWaalsContact CG2-CD2 3.47Å; I493-L539 HydrophobicContact CG2-CG 4.25Å; I493-L539 WeakPolarHBondContact O-CD2 3.18Å; I493-A542 HydrophobicContact CG2-CB 4.46Å |
| 494 | R | 84.3 | Confident | 85.5 | Confident | 128 Ų | 128 | 34 Ų | 34 | 48% | 0.483 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -52.8 | -36.2 | 176.1 | -177.1 | 179.1 | 177.4 | 176.7 | -3 | 113.8 | R492 P498 L544 L547 | R492-R494 PolarHBondContact O-N 3.29Å; R492-R494 VanDerWaalsContact O-N 3.14Å; R494-P498 WeakPolarHBondContact O-CD 3.42Å; R494-P498 VanDerWaalsContact O-CG 3.22Å; R494-P498 WeakPolarHBondContact O-CG 3.26Å; R494-L544 HydrophobicContact CB-CD1 3.78Å; R494-L544 HydrophobicContact CG-CD1 3.77Å; R494-L544 HydrophobicContact CG-CD2 4.06Å; R494-L547 HydrophobicContact CG-CD2 4.47Å |
| 495 | Y | 84.9 | Confident | 85.6 | Confident | 71 Ų | 71 | 33.4 Ų | 33.4 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -100 | -31.7 | -173 | -61.8 | -81.7 | 0 | 0 | 0 | 112.6 | F452 Q456 R492 I493 P499 | F452-Y495 HydrophobicContact CE1-CE2 4.38Å; Q456-Y495 HydrophobicContact CB-CD2 3.74Å; Q456-Y495 HydrophobicContact CB-CG 3.78Å; Q456-Y495 HydrophobicContact CG-CD2 4.17Å; R492-Y495 PolarHBondContact O-N 3.38Å; R492-Y495 VanDerWaalsContact O-N 3.08Å; I493-Y495 PolarHBondContact O-N 2.92Å; Y495-P499 WeakPolarHBondContact O-CD 3.4Å |
| 496 | T | 84.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -90.2 | -35.8 | -171.8 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | V459 I463 F485 R492 I493 P499 | V459-T496 HydrophobicContact CB-CG2 4.19Å; V459-T496 HydrophobicContact CG1-CG2 3.66Å; I463-T496 WeakPolarHBondContact CD1-O 3.24Å; F485-T496 HydrophobicContact CD1-CG2 4.12Å; F485-T496 HydrophobicContact CE1-CG2 4.33Å; R492-T496 PolarHBondContact O-N 3.3Å; R492-T496 PolarHBondContact O-OG1 3.16Å; I493-T496 PolarHBondContact O-N 3.2Å; T496-P499 WeakPolarHBondContact O-CD 3.2Å |
| 497 | L | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.3 | -34.3 | -178.9 | -60.9 | -167.1 | 0 | 0 | 0 | 114.8 | F485 I493 L500 V501 T535 A538 L539 | F485-L497 HydrophobicContact CB-CD2 3.84Å; I493-L497 HydrophobicContact CB-CD1 4.26Å; I493-L497 HydrophobicContact CB-CG 4.32Å; I493-L497 HydrophobicContact CG1-CD1 4.19Å; I493-L497 HydrophobicContact CG1-CG 4.31Å; I493-L497 HydrophobicContact CG2-CD1 3.39Å; I493-L497 HydrophobicContact CG2-CG 3.81Å; I493-L497 PolarHBondContact O-N 3.29Å; I493-L497 VanDerWaalsContact O-N 3.16Å; L497-L500 HydrophobicContact CD2-CD2 4.32Å; L497-L500 WeakPolarHBondContact O-CB 3.18Å; L497-L500 PolarHBondContact O-N 3.26Å; L497-V501 WeakPolarHBondContact O-CG2 3.41Å; L497-V501 PolarHBondContact O-N 2.85Å; L497-T535 HydrophobicContact CB-CG2 3.92Å; L497-T535 HydrophobicContact CD1-CG2 4.02Å; L497-T535 HydrophobicContact CD2-CG2 4.19Å; L497-T535 HydrophobicContact CG-CG2 4.27Å; L497-A538 HydrophobicContact CD1-CB 4.3Å; L497-L539 HydrophobicContact CB-CD1 4.21Å; L497-L539 HydrophobicContact CB-CD2 4.13Å; L497-L539 HydrophobicContact CB-CG 4.21Å; L497-L539 HydrophobicContact CD1-CD2 4.34Å; L497-L539 HydrophobicContact CD1-CG 4.18Å |
| 498 | P | 90 | Very high | 86.3 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 179.5 | -19.8 | 30 | 0 | 0 | 0 | 113.8 | R494 L500 V501 F502 L547 L551 | R494-P498 WeakPolarHBondContact O-CD 3.42Å; R494-P498 VanDerWaalsContact O-CG 3.22Å; R494-P498 WeakPolarHBondContact O-CG 3.26Å; P498-L500 PolarHBondContact O-N 3.46Å; P498-V501 PolarHBondContact O-N 3.08Å; P498-V501 VanDerWaalsContact O-N 3.13Å; P498-F502 WeakPolarHBondContact O-CD2 2.9Å; P498-F502 PolarHBondContact O-N 3.2Å; P498-L547 HydrophobicContact CG-CD2 3.71Å; P498-L547 HydrophobicContact CG-CG 4.44Å; P498-L551 HydrophobicContact CB-CD1 4.27Å |
| 499 | P | 89.9 | Confident | 87 | Confident | 20 Ų | 20 | 39 Ų | 39 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -36.4 | 173.9 | -24.5 | 34 | 0 | 0 | 0 | 112.9 | I463 Y495 T496 F502 A503 | I463-P499 HydrophobicContact CB-CB 4.28Å; I463-P499 HydrophobicContact CD1-CB 4.05Å; I463-P499 HydrophobicContact CD1-CG 4.45Å; I463-P499 HydrophobicContact CG2-CB 4.22Å; Y495-P499 WeakPolarHBondContact O-CD 3.4Å; T496-P499 WeakPolarHBondContact O-CD 3.2Å; P499-F502 PolarHBondContact O-N 3.36Å; P499-A503 WeakPolarHBondContact O-CB 3.09Å; P499-A503 PolarHBondContact O-N 2.68Å |
| 500 | L | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 177.2 | -168 | 73.3 | 0 | 0 | 0 | 112.4 | I463 L478 A481 R482 L497 P498 A503 A504 F531 | I463-L500 HydrophobicContact CG2-CD1 4.47Å; L478-L500 HydrophobicContact CB-CD1 4.31Å; L478-L500 HydrophobicContact CD2-CD1 3.5Å; L478-L500 VanDerWaalsContact CD2-CD1 3.5Å; L478-L500 HydrophobicContact CG-CD1 4.49Å; A481-L500 HydrophobicContact CB-CD1 3.94Å; R482-L500 HydrophobicContact CB-CD2 3.78Å; R482-L500 HydrophobicContact CG-CD2 4.3Å; L497-L500 HydrophobicContact CD2-CD2 4.32Å; L497-L500 WeakPolarHBondContact O-CB 3.18Å; L497-L500 PolarHBondContact O-N 3.26Å; P498-L500 PolarHBondContact O-N 3.46Å; L500-A503 PolarHBondContact O-N 3.19Å; L500-A504 WeakPolarHBondContact O-CB 3.41Å; L500-A504 PolarHBondContact O-N 2.89Å; L500-F531 HydrophobicContact CD2-CZ 3.99Å; L500-F531 HydrophobicContact CG-CE1 4.46Å; L500-F531 HydrophobicContact CG-CZ 4.27Å |
| 501 | V | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.3 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L497 P498 A504 Y505 T535 I536 L551 | L497-V501 WeakPolarHBondContact O-CG2 3.41Å; L497-V501 PolarHBondContact O-N 2.85Å; P498-V501 PolarHBondContact O-N 3.08Å; P498-V501 VanDerWaalsContact O-N 3.13Å; V501-A504 WeakPolarHBondContact O-CB 3.46Å; V501-A504 PolarHBondContact O-N 3.27Å; V501-Y505 HydrophobicContact CG1-CD2 4.01Å; V501-Y505 HydrophobicContact CG1-CE1 4.44Å; V501-Y505 HydrophobicContact CG1-CE2 3.38Å; V501-Y505 PolarHBondContact O-N 3.26Å; V501-T535 HydrophobicContact CG2-CG2 3.57Å; V501-I536 HydrophobicContact CG1-CD1 4.22Å; V501-I536 HydrophobicContact CG1-CG1 4.35Å; V501-I536 HydrophobicContact CG2-CG1 4.05Å; V501-L551 HydrophobicContact CG1-CD2 4.23Å |
| 502 | F | 91.3 | Very high | 88 | Confident | 91 Ų | 91 | 35.2 Ų | 35.2 | 40% | 0.399 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.3 | -76.2 | -67.6 | 0 | 0 | 0 | 112.4 | P498 P499 A504 Y505 Q506 L551 | P498-F502 WeakPolarHBondContact O-CD2 2.9Å; P498-F502 PolarHBondContact O-N 3.2Å; P499-F502 PolarHBondContact O-N 3.36Å; F502-A504 VanDerWaalsContact C-N 3.29Å; F502-A504 PolarHBondContact O-N 2.92Å; F502-Y505 PolarHBondContact O-N 3.02Å; F502-Q506 WeakPolarHBondContact O-CG 3.48Å; F502-Q506 PolarHBondContact O-N 3.5Å; F502-L551 HydrophobicContact CD2-CD2 4.46Å; F502-L551 HydrophobicContact CE2-CD2 3.79Å; F502-L551 HydrophobicContact CZ-CD2 3.97Å |
| 503 | A | 89.8 | Confident | 88.2 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L478 P499 L500 Q506 L507 | L478-A503 HydrophobicContact CD2-CB 3.83Å; P499-A503 WeakPolarHBondContact O-CB 3.09Å; P499-A503 PolarHBondContact O-N 2.68Å; L500-A503 PolarHBondContact O-N 3.19Å; A503-Q506 PolarHBondContact O-N 2.96Å; A503-L507 WeakPolarHBondContact O-CB 3.23Å; A503-L507 PolarHBondContact O-N 3.3Å |
| 504 | A | 90.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L478 L500 V501 F502 L507 A508 I528 F531 | L478-A504 HydrophobicContact CD1-CB 4.42Å; L500-A504 WeakPolarHBondContact O-CB 3.41Å; L500-A504 PolarHBondContact O-N 2.89Å; V501-A504 WeakPolarHBondContact O-CB 3.46Å; V501-A504 PolarHBondContact O-N 3.27Å; F502-A504 VanDerWaalsContact C-N 3.29Å; F502-A504 PolarHBondContact O-N 2.92Å; A504-L507 WeakPolarHBondContact O-CB 3.45Å; A504-L507 PolarHBondContact O-N 3.38Å; A504-A508 PolarHBondContact O-N 3.01Å; A504-I528 HydrophobicContact CB-CG2 4Å; A504-I528 VanDerWaalsContact O-CG2 3.24Å; A504-I528 WeakPolarHBondContact O-CG2 2.85Å; A504-F531 HydrophobicContact CB-CD1 4.05Å; A504-F531 HydrophobicContact CB-CE1 4.01Å |
| 505 | Y | 90.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 175.5 | -64.5 | -32.3 | 0 | 0 | 0 | 112.7 | V501 F502 L507 A508 F509 F529 A532 L551 G555 A558 | V501-Y505 HydrophobicContact CG1-CD2 4.01Å; V501-Y505 HydrophobicContact CG1-CE1 4.44Å; V501-Y505 HydrophobicContact CG1-CE2 3.38Å; V501-Y505 PolarHBondContact O-N 3.26Å; F502-Y505 PolarHBondContact O-N 3.02Å; Y505-L507 VanDerWaalsContact C-N 3.28Å; Y505-L507 PolarHBondContact O-N 3.41Å; Y505-A508 WeakPolarHBondContact O-CB 3.13Å; Y505-A508 PolarHBondContact O-N 3.01Å; Y505-A508 VanDerWaalsContact O-N 3.09Å; Y505-F509 WeakPolarHBondContact O-CD2 3.45Å; Y505-F509 PolarHBondContact O-N 3.48Å; Y505-F529 HydrophobicContact CD1-CD1 4.45Å; Y505-F529 AromaticContact CD1-CE1 3.92Å; Y505-F529 HydrophobicContact CD1-CE1 3.92Å; Y505-F529 HydrophobicContact CD1-CZ 4.46Å; Y505-F529 AromaticContact CE1-CD1 3.94Å; Y505-F529 HydrophobicContact CE1-CD1 3.94Å; Y505-F529 AromaticContact CE1-CE1 3.7Å; Y505-F529 HydrophobicContact CE1-CE1 3.7Å; Y505-A532 HydrophobicContact CE1-CB 3.71Å; Y505-L551 PolarHBondContact OH-O 2.85Å; Y505-G555 WeakPolarHBondContact OH-CA 3.44Å; Y505-A558 HydrophobicContact CD1-CB 4.4Å; Y505-A558 HydrophobicContact CG-CB 4.35Å |
| 506 | Q | 89.6 | Confident | 87.5 | Confident | 127 Ų | 127 | 39 Ų | 39 | 59% | 0.593 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -59.1 | -41.2 | 172.9 | -72.2 | 176.6 | -4.4 | 0 | 0 | 111.8 | F502 A503 A508 F509 R510 | F502-Q506 WeakPolarHBondContact O-CG 3.48Å; F502-Q506 PolarHBondContact O-N 3.5Å; A503-Q506 PolarHBondContact O-N 2.96Å; Q506-A508 VanDerWaalsContact C-N 3.32Å; Q506-A508 PolarHBondContact O-N 3.27Å; Q506-F509 PolarHBondContact O-N 3.4Å; Q506-R510 PolarHBondContact O-N 3.18Å |
| 507 | L | 88.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.2 | -179.6 | 61.5 | 0 | 0 | 0 | 111.6 | P471 Q474 Y475 L478 A503 A504 Y505 F509 R510 Y511 I528 | P471-L507 HydrophobicContact CB-CD1 4.03Å; Q474-L507 HydrophobicContact CB-CD1 4.01Å; Q474-L507 HydrophobicContact CB-CD2 4.44Å; Q474-L507 HydrophobicContact CG-CD1 3.94Å; Q474-L507 HydrophobicContact CG-CD2 4.19Å; Y475-L507 HydrophobicContact CD2-CD2 4.19Å; L478-L507 HydrophobicContact CD1-CB 4.47Å; L478-L507 HydrophobicContact CD1-CD2 3.8Å; A503-L507 WeakPolarHBondContact O-CB 3.23Å; A503-L507 PolarHBondContact O-N 3.3Å; A504-L507 WeakPolarHBondContact O-CB 3.45Å; A504-L507 PolarHBondContact O-N 3.38Å; Y505-L507 VanDerWaalsContact C-N 3.28Å; Y505-L507 PolarHBondContact O-N 3.41Å; L507-F509 PolarHBondContact O-N 3.45Å; L507-R510 WeakPolarHBondContact O-CB 3.35Å; L507-R510 PolarHBondContact O-N 2.94Å; L507-R510 VanDerWaalsContact O-N 3.14Å; L507-Y511 HydrophobicContact CD1-CD2 4.08Å; L507-Y511 HydrophobicContact CD1-CE2 3.64Å; L507-Y511 HydrophobicContact CD2-CE2 4.07Å; L507-Y511 HydrophobicContact CG-CD2 3.95Å; L507-Y511 HydrophobicContact CG-CE2 3.62Å; L507-Y511 VanDerWaalsContact O-CD2 3.23Å; L507-Y511 WeakPolarHBondContact O-CD2 3.06Å; L507-Y511 PolarHBondContact O-N 2.85Å; L507-I528 HydrophobicContact CD2-CD1 4.07Å; L507-I528 HydrophobicContact CG-CD1 3.99Å |
| 508 | A | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A504 Y505 Q506 R510 Y511 K512 I528 F529 I562 | A504-A508 PolarHBondContact O-N 3.01Å; Y505-A508 WeakPolarHBondContact O-CB 3.13Å; Y505-A508 PolarHBondContact O-N 3.01Å; Y505-A508 VanDerWaalsContact O-N 3.09Å; Q506-A508 VanDerWaalsContact C-N 3.32Å; Q506-A508 PolarHBondContact O-N 3.27Å; A508-R510 VanDerWaalsContact C-N 3.34Å; A508-R510 PolarHBondContact O-N 3.41Å; A508-Y511 PolarHBondContact O-N 3.42Å; A508-K512 PolarHBondContact O-N 3.22Å; A508-K512 VanDerWaalsContact O-N 3.15Å; A508-I528 HydrophobicContact CB-CD1 4.49Å; A508-I528 HydrophobicContact CB-CG2 4.16Å; A508-F529 HydrophobicContact CB-CE2 4.2Å; A508-I562 HydrophobicContact CB-CD1 3.52Å |
| 509 | F | 88.7 | Confident | 86.2 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 172.5 | -76.7 | -71.2 | 0 | 0 | 0 | 112.7 | Y505 Q506 L507 K512 A513 A558 E561 I562 | Y505-F509 WeakPolarHBondContact O-CD2 3.45Å; Y505-F509 PolarHBondContact O-N 3.48Å; Q506-F509 PolarHBondContact O-N 3.4Å; L507-F509 PolarHBondContact O-N 3.45Å; F509-K512 WeakPolarHBondContact O-CB 3.35Å; F509-K512 PolarHBondContact O-N 2.87Å; F509-A513 PolarHBondContact O-N 3.28Å; F509-A558 HydrophobicContact CE2-CB 4.09Å; F509-A558 HydrophobicContact CZ-CB 4.22Å; F509-E561 HydrophobicContact CE1-CB 4.17Å; F509-E561 HydrophobicContact CZ-CB 4.36Å; F509-I562 HydrophobicContact CD1-CD1 4.29Å; F509-I562 HydrophobicContact CD1-CG1 3.86Å; F509-I562 HydrophobicContact CE1-CD1 4.4Å; F509-I562 HydrophobicContact CE1-CG1 3.81Å; F509-I562 HydrophobicContact CG-CD1 4.4Å; F509-I562 HydrophobicContact CG-CG1 4.45Å; F509-I562 HydrophobicContact CZ-CG1 4.35Å |
| 510 | R | 87.2 | Confident | 85.9 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 28% | 0.275 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 175 | -167.7 | -177.7 | -172.8 | 161.6 | 8.9 | 112 | H467 S468 E469 Q506 L507 A508 K512 A513 N514 | H467-R510 PolarHBondContact CE1-NH1 3.45Å; S468-R510 PolarHBondContact O-NH1 3.48Å; E469-R510 VanDerWaalsContact O-CZ 3.29Å; E469-R510 PolarHBondContact O-NH2 3.18Å; Q506-R510 PolarHBondContact O-N 3.18Å; L507-R510 WeakPolarHBondContact O-CB 3.35Å; L507-R510 PolarHBondContact O-N 2.94Å; L507-R510 VanDerWaalsContact O-N 3.14Å; A508-R510 VanDerWaalsContact C-N 3.34Å; A508-R510 PolarHBondContact O-N 3.41Å; R510-K512 VanDerWaalsContact C-N 3.32Å; R510-K512 PolarHBondContact O-N 3.05Å; R510-A513 PolarHBondContact O-N 3.18Å; R510-N514 PolarHBondContact O-N 3.32Å |
| 511 | Y | 86.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 173.3 | -83.1 | -69.5 | 0 | 0 | 0 | 112.3 | P471 D472 L507 A508 N514 S515 K524 I528 | P471-Y511 HydrophobicContact CB-CD1 4.32Å; P471-Y511 HydrophobicContact CB-CE1 3.64Å; P471-Y511 HydrophobicContact CB-CE2 3.91Å; P471-Y511 VanDerWaalsContact CB-CZ 3.41Å; P471-Y511 WeakPolarHBondContact CB-OH 3.25Å; P471-Y511 PolarHBondContact O-OH 2.9Å; D472-Y511 PolarHBondContact N-OH 3.43Å; D472-Y511 PolarHBondContact OD1-OH 2.96Å; L507-Y511 HydrophobicContact CD1-CD2 4.08Å; L507-Y511 HydrophobicContact CD1-CE2 3.64Å; L507-Y511 HydrophobicContact CD2-CE2 4.07Å; L507-Y511 HydrophobicContact CG-CD2 3.95Å; L507-Y511 HydrophobicContact CG-CE2 3.62Å; L507-Y511 VanDerWaalsContact O-CD2 3.23Å; L507-Y511 WeakPolarHBondContact O-CD2 3.06Å; L507-Y511 PolarHBondContact O-N 2.85Å; A508-Y511 PolarHBondContact O-N 3.42Å; Y511-N514 CarbonylContact O-C 3.33Å; Y511-N514 PolarHBondContact O-N 3.5Å; Y511-S515 PolarHBondContact O-N 2.64Å; Y511-K524 HydrophobicContact CD1-CB 4.41Å; Y511-K524 HydrophobicContact CD1-CD 4.08Å; Y511-K524 HydrophobicContact CE1-CB 4.26Å; Y511-K524 HydrophobicContact CE1-CD 3.39Å; Y511-K524 HydrophobicContact CE1-CG 4.48Å; Y511-I528 HydrophobicContact CD2-CD1 3.46Å; Y511-I528 VanDerWaalsContact CD2-CD1 3.46Å; Y511-I528 HydrophobicContact CE2-CD1 3.54Å |
| 512 | K | 84.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 174.3 | -178.5 | 176 | -178.6 | 171.3 | 0 | 112.5 | A508 F509 R510 N514 S515 W521 E561 I562 | A508-K512 PolarHBondContact O-N 3.22Å; A508-K512 VanDerWaalsContact O-N 3.15Å; F509-K512 WeakPolarHBondContact O-CB 3.35Å; F509-K512 PolarHBondContact O-N 2.87Å; R510-K512 VanDerWaalsContact C-N 3.32Å; R510-K512 PolarHBondContact O-N 3.05Å; K512-N514 PolarHBondContact O-N 2.97Å; K512-S515 WeakPolarHBondContact O-CB 3.22Å; K512-S515 PolarHBondContact O-N 2.66Å; K512-S515 VanDerWaalsContact O-N 3.11Å; K512-S515 PolarHBondContact O-OG 2.88Å; K512-W521 HydrophobicContact CB-CZ3 4.48Å; K512-E561 PolarHBondContact NZ-O 3.39Å; K512-I562 HydrophobicContact CB-CG2 4.29Å; K512-I562 HydrophobicContact CD-CB 4.26Å; K512-I562 HydrophobicContact CD-CG1 4.29Å; K512-I562 HydrophobicContact CD-CG2 4.12Å; K512-I562 WeakPolarHBondContact CD-O 3.48Å; K512-I562 WeakPolarHBondContact CE-O 3.44Å; K512-I562 PolarHBondContact NZ-O 3.15Å |
| 513 | A | 86.5 | Confident | 85.1 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 63% | 0.628 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.9 | -33 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F509 R510 S515 | F509-A513 PolarHBondContact O-N 3.28Å; R510-A513 PolarHBondContact O-N 3.18Å; A513-S515 VanDerWaalsContact C-N 3.3Å; A513-S515 PolarHBondContact O-N 3.13Å |
| 514 | N | 84.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 14.9 | 177.1 | -69 | -5.1 | 0 | 0 | 0 | 114.1 | R510 Y511 K512 S516 V517 D518 | R510-N514 PolarHBondContact O-N 3.32Å; Y511-N514 CarbonylContact O-C 3.33Å; Y511-N514 PolarHBondContact O-N 3.5Å; K512-N514 PolarHBondContact O-N 2.97Å; N514-S516 PolarHBondContact O-N 3.5Å; N514-S516 VanDerWaalsContact O-N 3.08Å; N514-V517 PolarHBondContact O-N 2.74Å; N514-D518 PolarHBondContact O-N 3Å |
| 515 | S | 79.2 | Confident | 84.7 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25 | -178 | 51 | 0 | 0 | 0 | 0 | 114.2 | Y511 K512 A513 V517 | Y511-S515 PolarHBondContact O-N 2.64Å; K512-S515 WeakPolarHBondContact O-CB 3.22Å; K512-S515 PolarHBondContact O-N 2.66Å; K512-S515 VanDerWaalsContact O-N 3.11Å; K512-S515 PolarHBondContact O-OG 2.88Å; A513-S515 VanDerWaalsContact C-N 3.3Å; A513-S515 PolarHBondContact O-N 3.13Å; S515-V517 VanDerWaalsContact C-N 3.32Å |
| 516 | S | 77 | Confident | 84.6 | Confident | 109 Ų | 109 | 70 Ų | 70 | 76% | 0.762 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.3 | 176.7 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | N514 | N514-S516 PolarHBondContact O-N 3.5Å; N514-S516 VanDerWaalsContact O-N 3.08Å |
| 517 | V | 78.7 | Confident | 84.6 | Confident | 123 Ų | 123 | 70 Ų | 70 | 75% | 0.745 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -32.8 | -172.8 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | N514 S515 | N514-V517 PolarHBondContact O-N 2.74Å; S515-V517 VanDerWaalsContact C-N 3.32Å |
| 518 | D | 77.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | trans | -119.5 | 105.7 | -176.4 | -175.1 | -1.1 | 0 | 0 | 0 | 111.8 | N514 K520 W521 K524 | N514-D518 PolarHBondContact O-N 3Å; D518-K520 PolarHBondContact O-N 2.81Å; D518-K520 WeakPolarHBondContact OD1-CA 3.39Å; D518-K520 WeakPolarHBondContact OD1-CB 3.32Å; D518-K520 PolarHBondContact OD1-N 3.16Å; D518-W521 WeakPolarHBondContact O-CB 3.26Å; D518-W521 PolarHBondContact O-N 3Å; D518-K524 VanDerWaalsContact OD2-CE 3.24Å; D518-K524 WeakPolarHBondContact OD2-CE 3.36Å; D518-K524 IonicContact OD2-NZ 3.9Å; D518-K524 PolarHBondContact OD2-NZ 3.14Å | ||
| 519 | D | 76.8 | Confident | 84.7 | Confident | 158 Ų | 158 | 70 Ų | 70 | 85% | 0.845 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.1 | 176.6 | -65.4 | -28.8 | 0 | 0 | 0 | 113.7 | ||
| 520 | K | 84.8 | Confident | 84.8 | Confident | 144 Ų | 144 | 68.9 Ų | 68.9 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 10.5 | -178.8 | -62.9 | 177.2 | -175.3 | 168.6 | 0 | 113.2 | D518 E522 K523 K524 | D518-K520 PolarHBondContact O-N 2.81Å; D518-K520 WeakPolarHBondContact OD1-CA 3.39Å; D518-K520 WeakPolarHBondContact OD1-CB 3.32Å; D518-K520 PolarHBondContact OD1-N 3.16Å; K520-E522 PolarHBondContact O-N 3.32Å; K520-K523 PolarHBondContact O-N 3.25Å; K520-K524 PolarHBondContact O-N 3.29Å |
| 521 | W | 84.4 | Confident | 85.1 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.8 | -39 | -176.8 | 74.2 | -87.4 | 0 | 0 | 0 | 112.6 | K512 D518 K524 C525 I562 F564 | K512-W521 HydrophobicContact CB-CZ3 4.48Å; D518-W521 WeakPolarHBondContact O-CB 3.26Å; D518-W521 PolarHBondContact O-N 3Å; W521-K524 PolarHBondContact O-N 3.38Å; W521-C525 PolarHBondContact O-N 3.44Å; W521-C525 PolarHBondContact O-SG 2.93Å; W521-C525 VanDerWaalsContact O-SG 3.33Å; W521-I562 HydrophobicContact CZ3-CG2 3.95Å; W521-F564 HydrophobicContact CH2-CB 4.27Å; W521-F564 HydrophobicContact CZ3-CB 4.18Å |
| 522 | E | 84.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | -179 | -61.6 | 178.9 | 161.3 | 0 | 0 | 113 | K520 K524 C525 Q526 F564 E565 | K520-E522 PolarHBondContact O-N 3.32Å; E522-K524 VanDerWaalsContact C-N 3.27Å; E522-K524 PolarHBondContact O-N 2.63Å; E522-C525 PolarHBondContact O-N 2.93Å; E522-Q526 WeakPolarHBondContact O-CG 3.41Å; E522-Q526 PolarHBondContact O-N 2.91Å; E522-F564 HydrophobicContact CB-CB 4.35Å; E522-F564 HydrophobicContact CG-CB 4.35Å; E522-E565 WeakPolarHBondContact OE2-CG 3.41Å |
| 523 | K | 86.5 | Confident | 85.6 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.9 | -34 | 176.9 | -69.1 | -175.9 | -179.1 | 177.3 | 0 | 111.2 | K520 K527 | K520-K523 PolarHBondContact O-N 3.25Å; K523-K527 WeakPolarHBondContact O-CG 3.3Å; K523-K527 PolarHBondContact O-N 2.83Å |
| 524 | K | 86.4 | Confident | 85.9 | Confident | 43 Ų | 43 | 66 Ų | 66 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.5 | -43.9 | 175 | -66.9 | -177.4 | -179.7 | -177.8 | 0 | 110.9 | D472 Y511 D518 K520 W521 E522 Q526 K527 I528 | D472-K524 VanDerWaalsContact OD1-CE 3.25Å; D472-K524 WeakPolarHBondContact OD1-CE 3.35Å; D472-K524 IonicContact OD1-NZ 3.39Å; D472-K524 PolarHBondContact OD1-NZ 3.45Å; D472-K524 IonicContact OD2-NZ 3.29Å; D472-K524 PolarHBondContact OD2-NZ 2.97Å; Y511-K524 HydrophobicContact CD1-CB 4.41Å; Y511-K524 HydrophobicContact CD1-CD 4.08Å; Y511-K524 HydrophobicContact CE1-CB 4.26Å; Y511-K524 HydrophobicContact CE1-CD 3.39Å; Y511-K524 HydrophobicContact CE1-CG 4.48Å; D518-K524 VanDerWaalsContact OD2-CE 3.24Å; D518-K524 WeakPolarHBondContact OD2-CE 3.36Å; D518-K524 IonicContact OD2-NZ 3.9Å; D518-K524 PolarHBondContact OD2-NZ 3.14Å; K520-K524 PolarHBondContact O-N 3.29Å; W521-K524 PolarHBondContact O-N 3.38Å; E522-K524 VanDerWaalsContact C-N 3.27Å; E522-K524 PolarHBondContact O-N 2.63Å; K524-Q526 PolarHBondContact O-N 3.31Å; K524-K527 WeakPolarHBondContact O-CB 3.41Å; K524-K527 PolarHBondContact O-N 3.18Å; K524-K527 VanDerWaalsContact O-N 3.14Å; K524-I528 WeakPolarHBondContact O-CG1 3.46Å; K524-I528 PolarHBondContact O-N 2.76Å |
| 525 | C | 86.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 172.8 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | W521 E522 K527 I528 F529 F564 | W521-C525 PolarHBondContact O-N 3.44Å; W521-C525 PolarHBondContact O-SG 2.93Å; W521-C525 VanDerWaalsContact O-SG 3.33Å; E522-C525 PolarHBondContact O-N 2.93Å; C525-K527 VanDerWaalsContact C-N 3.29Å; C525-K527 PolarHBondContact O-N 3.33Å; C525-I528 WeakPolarHBondContact O-CB 3.46Å; C525-I528 PolarHBondContact O-N 3.34Å; C525-F529 VanDerWaalsContact O-CD2 3.23Å; C525-F529 WeakPolarHBondContact O-CD2 3.49Å; C525-F529 PolarHBondContact O-N 2.96Å; C525-F564 HydrophobicContact CB-CD1 4.37Å; C525-F564 HydrophobicContact CB-CG 4.48Å |
| 526 | Q | 87.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.2 | -41 | 175.9 | -72.4 | 175.8 | 11.7 | 0 | 0 | 112.6 | E522 K524 F529 S530 F564 N566 | E522-Q526 WeakPolarHBondContact O-CG 3.41Å; E522-Q526 PolarHBondContact O-N 2.91Å; K524-Q526 PolarHBondContact O-N 3.31Å; Q526-F529 PolarHBondContact O-N 2.88Å; Q526-S530 PolarHBondContact O-N 3.21Å; Q526-S530 PolarHBondContact O-OG 3.2Å; Q526-F564 HydrophobicContact CG-CD2 3.69Å; Q526-F564 HydrophobicContact CG-CE2 3.66Å; Q526-N566 PolarHBondContact NE2-ND2 3.43Å; Q526-N566 VanDerWaalsContact NE2-ND2 3.18Å |
| 527 | K | 89.6 | Confident | 87.2 | Confident | 128 Ų | 128 | 56.9 Ų | 56.9 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.8 | -37.2 | 174.9 | -73.2 | -179.8 | 178.9 | -175.2 | 0 | 112.9 | K523 K524 C525 S530 F531 | K523-K527 WeakPolarHBondContact O-CG 3.3Å; K523-K527 PolarHBondContact O-N 2.83Å; K524-K527 WeakPolarHBondContact O-CB 3.41Å; K524-K527 PolarHBondContact O-N 3.18Å; K524-K527 VanDerWaalsContact O-N 3.14Å; C525-K527 VanDerWaalsContact C-N 3.29Å; C525-K527 PolarHBondContact O-N 3.33Å; K527-S530 WeakPolarHBondContact CA-OG 3.41Å; K527-S530 PolarHBondContact O-N 2.85Å; K527-S530 PolarHBondContact O-OG 3.42Å; K527-F531 VanDerWaalsContact O-CB 3.32Å; K527-F531 WeakPolarHBondContact O-CB 3.48Å; K527-F531 PolarHBondContact O-N 2.96Å |
| 528 | I | 90.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 176.8 | -66.6 | 164.1 | 0 | 0 | 0 | 110.7 | Y475 A504 L507 A508 Y511 K524 C525 F531 A532 | Y475-I528 HydrophobicContact CD2-CG1 3.85Å; Y475-I528 HydrophobicContact CE2-CG1 3.84Å; A504-I528 HydrophobicContact CB-CG2 4Å; A504-I528 VanDerWaalsContact O-CG2 3.24Å; A504-I528 WeakPolarHBondContact O-CG2 2.85Å; L507-I528 HydrophobicContact CD2-CD1 4.07Å; L507-I528 HydrophobicContact CG-CD1 3.99Å; A508-I528 HydrophobicContact CB-CD1 4.49Å; A508-I528 HydrophobicContact CB-CG2 4.16Å; Y511-I528 HydrophobicContact CD2-CD1 3.46Å; Y511-I528 VanDerWaalsContact CD2-CD1 3.46Å; Y511-I528 HydrophobicContact CE2-CD1 3.54Å; K524-I528 WeakPolarHBondContact O-CG1 3.46Å; K524-I528 PolarHBondContact O-N 2.76Å; C525-I528 WeakPolarHBondContact O-CB 3.46Å; C525-I528 PolarHBondContact O-N 3.34Å; I528-F531 WeakPolarHBondContact O-CB 3.36Å; I528-F531 PolarHBondContact O-N 3.39Å; I528-A532 WeakPolarHBondContact O-CB 3.33Å; I528-A532 PolarHBondContact O-N 2.8Å |
| 529 | F | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.1 | -80.7 | -74.5 | 0 | 0 | 0 | 112.4 | Y505 A508 C525 Q526 A532 H533 G555 A558 A559 I562 F564 V570 F574 | Y505-F529 HydrophobicContact CD1-CD1 4.45Å; Y505-F529 AromaticContact CD1-CE1 3.92Å; Y505-F529 HydrophobicContact CD1-CE1 3.92Å; Y505-F529 HydrophobicContact CD1-CZ 4.46Å; Y505-F529 AromaticContact CE1-CD1 3.94Å; Y505-F529 HydrophobicContact CE1-CD1 3.94Å; Y505-F529 AromaticContact CE1-CE1 3.7Å; Y505-F529 HydrophobicContact CE1-CE1 3.7Å; A508-F529 HydrophobicContact CB-CE2 4.2Å; C525-F529 VanDerWaalsContact O-CD2 3.23Å; C525-F529 WeakPolarHBondContact O-CD2 3.49Å; C525-F529 PolarHBondContact O-N 2.96Å; Q526-F529 PolarHBondContact O-N 2.88Å; F529-A532 PolarHBondContact O-N 2.98Å; F529-H533 WeakPolarHBondContact O-CB 3.19Å; F529-H533 PolarHBondContact O-N 3.36Å; F529-G555 WeakPolarHBondContact CE1-O 3.44Å; F529-A558 HydrophobicContact CE1-CB 4.29Å; F529-A558 HydrophobicContact CZ-CB 4.19Å; F529-A559 HydrophobicContact CD1-CB 4.42Å; F529-A559 HydrophobicContact CE1-CB 3.85Å; F529-A559 HydrophobicContact CZ-CB 3.91Å; F529-I562 HydrophobicContact CE2-CD1 3.96Å; F529-I562 HydrophobicContact CZ-CD1 3.95Å; F529-F564 AromaticContact CD2-CE1 3.63Å; F529-F564 HydrophobicContact CD2-CE1 3.63Å; F529-F564 AromaticContact CD2-CZ 3.88Å; F529-F564 HydrophobicContact CD2-CZ 3.88Å; F529-F564 HydrophobicContact CE2-CD1 4.29Å; F529-F564 AromaticContact CE2-CE1 3.54Å; F529-F564 HydrophobicContact CE2-CE1 3.54Å; F529-F564 HydrophobicContact CE2-CZ 4.25Å; F529-F564 HydrophobicContact CG-CZ 4.48Å; F529-F564 HydrophobicContact CZ-CE1 4.37Å; F529-V570 HydrophobicContact CB-CG1 4.01Å; F529-V570 HydrophobicContact CD1-CG1 4.34Å; F529-V570 HydrophobicContact CG-CG1 4.23Å; F529-F574 HydrophobicContact CB-CZ 4.42Å; F529-F574 AromaticContact CD1-CE2 3.77Å; F529-F574 HydrophobicContact CD1-CE2 3.77Å; F529-F574 HydrophobicContact CD1-CZ 4.07Å; F529-F574 HydrophobicContact CE1-CE2 4.38Å |
| 530 | S | 90.8 | Very high | 88.2 | Confident | 56 Ų | 56 | 44.8 Ų | 44.8 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.9 | -36.7 | 173 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | Q526 K527 H533 Q534 | Q526-S530 PolarHBondContact O-N 3.21Å; Q526-S530 PolarHBondContact O-OG 3.2Å; K527-S530 WeakPolarHBondContact CA-OG 3.41Å; K527-S530 PolarHBondContact O-N 2.85Å; K527-S530 PolarHBondContact O-OG 3.42Å; S530-H533 PolarHBondContact O-N 3.23Å; S530-Q534 WeakPolarHBondContact O-CG 3.47Å; S530-Q534 PolarHBondContact O-N 3.49Å |
| 531 | F | 92.3 | Very high | 88.1 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 169.8 | 168.2 | -90.7 | 0 | 0 | 0 | 112 | Y475 L478 N479 R482 L500 A504 K527 I528 Q534 T535 | Y475-F531 HydrophobicContact CE2-CB 4.48Å; L478-F531 HydrophobicContact CB-CZ 4.3Å; N479-F531 WeakPolarHBondContact OD1-CD2 3.49Å; N479-F531 WeakPolarHBondContact OD1-CE2 3.36Å; R482-F531 HydrophobicContact CB-CE2 3.54Å; R482-F531 HydrophobicContact CB-CZ 3.73Å; R482-F531 HydrophobicContact CG-CE2 3.67Å; R482-F531 HydrophobicContact CG-CZ 4.01Å; L500-F531 HydrophobicContact CD2-CZ 3.99Å; L500-F531 HydrophobicContact CG-CE1 4.46Å; L500-F531 HydrophobicContact CG-CZ 4.27Å; A504-F531 HydrophobicContact CB-CD1 4.05Å; A504-F531 HydrophobicContact CB-CE1 4.01Å; K527-F531 VanDerWaalsContact O-CB 3.32Å; K527-F531 WeakPolarHBondContact O-CB 3.48Å; K527-F531 PolarHBondContact O-N 2.96Å; I528-F531 WeakPolarHBondContact O-CB 3.36Å; I528-F531 PolarHBondContact O-N 3.39Å; F531-Q534 PolarHBondContact O-N 2.62Å; F531-T535 WeakPolarHBondContact O-CB 3.44Å; F531-T535 PolarHBondContact O-N 2.96Å; F531-T535 PolarHBondContact O-OG1 3.31Å |
| 532 | A | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y505 I528 F529 Q534 T535 I536 | Y505-A532 HydrophobicContact CE1-CB 3.71Å; I528-A532 WeakPolarHBondContact O-CB 3.33Å; I528-A532 PolarHBondContact O-N 2.8Å; F529-A532 PolarHBondContact O-N 2.98Å; A532-Q534 PolarHBondContact O-N 3.19Å; A532-T535 WeakPolarHBondContact O-CB 3.27Å; A532-T535 PolarHBondContact O-N 2.95Å; A532-T535 VanDerWaalsContact O-N 3.14Å; A532-I536 VanDerWaalsContact O-CG1 3.24Å; A532-I536 WeakPolarHBondContact O-CG1 3.1Å; A532-I536 PolarHBondContact O-N 3.04Å |
| 533 | H | 91.3 | Very high | 87.4 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57 | -52 | 175.4 | -175.4 | -83.6 | 0 | 0 | 0 | 111.6 | F529 S530 T535 I536 S537 F552 F574 | F529-H533 WeakPolarHBondContact O-CB 3.19Å; F529-H533 PolarHBondContact O-N 3.36Å; S530-H533 PolarHBondContact O-N 3.23Å; H533-T535 PolarHBondContact O-N 3.11Å; H533-I536 PolarHBondContact O-N 3.13Å; H533-S537 PolarHBondContact CE1-OG 3.19Å; H533-S537 PolarHBondContact ND1-OG 3.36Å; H533-S537 WeakPolarHBondContact O-CB 3.46Å; H533-S537 PolarHBondContact O-N 3.47Å; H533-S537 PolarHBondContact O-OG 3.16Å; H533-F552 AromaticContact CD2-CE1 3.72Å; H533-F574 HydrophobicContact CB-CE1 3.75Å; H533-F574 HydrophobicContact CB-CZ 4.11Å; H533-F574 AromaticContact CD2-CD1 3.83Å; H533-F574 AromaticContact CD2-CE1 3.5Å; H533-F574 AromaticContact CG-CE1 4Å |
| 534 | Q | 90.9 | Very high | 86.8 | Confident | 129 Ų | 129 | 44.9 Ų | 44.9 | 60% | 0.603 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.6 | -33.3 | 177.4 | -70.5 | 175.1 | 11.5 | 0 | 0 | 112.7 | S530 F531 A532 A538 | S530-Q534 WeakPolarHBondContact O-CG 3.47Å; S530-Q534 PolarHBondContact O-N 3.49Å; F531-Q534 PolarHBondContact O-N 2.62Å; A532-Q534 PolarHBondContact O-N 3.19Å; Q534-A538 PolarHBondContact O-N 3.21Å |
| 535 | T | 89.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.5 | -44.2 | 176.4 | -58 | 0 | 0 | 0 | 0 | 111.5 | R482 L497 V501 F531 A532 H533 A538 L539 | R482-T535 VanDerWaalsContact CD-OG1 3.3Å; R482-T535 WeakPolarHBondContact CD-OG1 3.34Å; R482-T535 PolarHBondContact NE-OG1 2.97Å; L497-T535 HydrophobicContact CB-CG2 3.92Å; L497-T535 HydrophobicContact CD1-CG2 4.02Å; L497-T535 HydrophobicContact CD2-CG2 4.19Å; L497-T535 HydrophobicContact CG-CG2 4.27Å; V501-T535 HydrophobicContact CG2-CG2 3.57Å; F531-T535 WeakPolarHBondContact O-CB 3.44Å; F531-T535 PolarHBondContact O-N 2.96Å; F531-T535 PolarHBondContact O-OG1 3.31Å; A532-T535 WeakPolarHBondContact O-CB 3.27Å; A532-T535 PolarHBondContact O-N 2.95Å; A532-T535 VanDerWaalsContact O-N 3.14Å; H533-T535 PolarHBondContact O-N 3.11Å; T535-A538 PolarHBondContact O-N 3.18Å; T535-L539 PolarHBondContact O-N 3.42Å |
| 536 | I | 89.8 | Confident | 86 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 175.9 | -60.6 | 163.6 | 0 | 0 | 0 | 110.8 | V501 A532 H533 A538 L539 I540 P548 L551 F552 | V501-I536 HydrophobicContact CG1-CD1 4.22Å; V501-I536 HydrophobicContact CG1-CG1 4.35Å; V501-I536 HydrophobicContact CG2-CG1 4.05Å; A532-I536 VanDerWaalsContact O-CG1 3.24Å; A532-I536 WeakPolarHBondContact O-CG1 3.1Å; A532-I536 PolarHBondContact O-N 3.04Å; H533-I536 PolarHBondContact O-N 3.13Å; I536-A538 PolarHBondContact O-N 3.04Å; I536-L539 WeakPolarHBondContact O-CA 3.38Å; I536-L539 VanDerWaalsContact O-CB 3.3Å; I536-L539 WeakPolarHBondContact O-CB 3.5Å; I536-L539 PolarHBondContact O-N 3.34Å; I536-I540 PolarHBondContact O-N 3.3Å; I536-I540 VanDerWaalsContact O-N 3.09Å; I536-P548 HydrophobicContact CG2-CB 3.71Å; I536-L551 HydrophobicContact CD1-CB 3.88Å; I536-L551 HydrophobicContact CG1-CB 4Å; I536-L551 HydrophobicContact CG1-CD1 4.34Å; I536-L551 HydrophobicContact CG2-CB 4.48Å; I536-F552 HydrophobicContact CB-CD1 4.46Å; I536-F552 HydrophobicContact CB-CE1 3.91Å; I536-F552 HydrophobicContact CB-CE2 4.41Å; I536-F552 HydrophobicContact CB-CZ 3.9Å; I536-F552 HydrophobicContact CD1-CD1 3.88Å; I536-F552 HydrophobicContact CD1-CE1 4.05Å; I536-F552 HydrophobicContact CD1-CG 4.47Å; I536-F552 HydrophobicContact CG2-CD1 4.04Å; I536-F552 HydrophobicContact CG2-CD2 3.73Å; I536-F552 HydrophobicContact CG2-CE1 3.69Å; I536-F552 HydrophobicContact CG2-CE2 3.38Å; I536-F552 HydrophobicContact CG2-CG 4.05Å; I536-F552 HydrophobicContact CG2-CZ 3.35Å |
| 537 | S | 88.6 | Confident | 85.9 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -29.5 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 113 | H533 I540 K541 | H533-S537 PolarHBondContact CE1-OG 3.19Å; H533-S537 PolarHBondContact ND1-OG 3.36Å; H533-S537 WeakPolarHBondContact O-CB 3.46Å; H533-S537 PolarHBondContact O-N 3.47Å; H533-S537 PolarHBondContact O-OG 3.16Å; S537-I540 PolarHBondContact O-N 3.35Å; S537-K541 WeakPolarHBondContact O-CG 3.45Å; S537-K541 PolarHBondContact O-N 2.95Å |
| 538 | A | 86.8 | Confident | 85.9 | Confident | 21 Ų | 21 | 42 Ų | 42 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.8 | -31.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L497 Q534 T535 I536 I540 K541 A542 | L497-A538 HydrophobicContact CD1-CB 4.3Å; Q534-A538 PolarHBondContact O-N 3.21Å; T535-A538 PolarHBondContact O-N 3.18Å; I536-A538 PolarHBondContact O-N 3.04Å; A538-I540 VanDerWaalsContact C-N 3.34Å; A538-K541 PolarHBondContact O-N 2.94Å; A538-A542 PolarHBondContact O-N 3.05Å |
| 539 | L | 85 | Confident | 85.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.3 | -35.8 | 171.6 | -69.2 | 165.2 | 0 | 0 | 0 | 111.8 | I493 L497 T535 I536 K541 A542 L544 P548 L551 | I493-L539 HydrophobicContact CG2-CD2 3.47Å; I493-L539 VanDerWaalsContact CG2-CD2 3.47Å; I493-L539 HydrophobicContact CG2-CG 4.25Å; I493-L539 WeakPolarHBondContact O-CD2 3.18Å; L497-L539 HydrophobicContact CB-CD1 4.21Å; L497-L539 HydrophobicContact CB-CD2 4.13Å; L497-L539 HydrophobicContact CB-CG 4.21Å; L497-L539 HydrophobicContact CD1-CD2 4.34Å; L497-L539 HydrophobicContact CD1-CG 4.18Å; T535-L539 PolarHBondContact O-N 3.42Å; I536-L539 WeakPolarHBondContact O-CA 3.38Å; I536-L539 VanDerWaalsContact O-CB 3.3Å; I536-L539 WeakPolarHBondContact O-CB 3.5Å; I536-L539 PolarHBondContact O-N 3.34Å; L539-K541 VanDerWaalsContact C-N 3.34Å; L539-A542 WeakPolarHBondContact O-CA 3.31Å; L539-A542 WeakPolarHBondContact O-CB 3.43Å; L539-A542 PolarHBondContact O-N 3.35Å; L539-A542 VanDerWaalsContact O-N 3.09Å; L539-L544 HydrophobicContact CD2-CD1 3.8Å; L539-L544 PolarHBondContact O-N 3.21Å; L539-P548 HydrophobicContact CB-CG 3.7Å; L539-L551 HydrophobicContact CD1-CD1 3.54Å |
| 540 | I | 84.2 | Confident | 85.8 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.5 | -58 | 168.2 | 0 | 0 | 0 | 110.2 | I536 S537 A538 A542 E543 P548 F552 L581 | I536-I540 PolarHBondContact O-N 3.3Å; I536-I540 VanDerWaalsContact O-N 3.09Å; S537-I540 PolarHBondContact O-N 3.35Å; A538-I540 VanDerWaalsContact C-N 3.34Å; I540-A542 PolarHBondContact O-N 3.46Å; I540-A542 VanDerWaalsContact O-N 3.15Å; I540-E543 PolarHBondContact O-N 3.28Å; I540-P548 HydrophobicContact CG1-CB 3.86Å; I540-P548 HydrophobicContact CG1-CG 4.2Å; I540-F552 HydrophobicContact CD1-CE2 3.63Å; I540-F552 HydrophobicContact CD1-CZ 3.93Å; I540-F552 HydrophobicContact CG1-CE2 4.43Å; I540-L581 HydrophobicContact CB-CD2 4.47Å; I540-L581 HydrophobicContact CD1-CD1 4.06Å; I540-L581 HydrophobicContact CD1-CD2 4.07Å; I540-L581 HydrophobicContact CD1-CG 4.4Å; I540-L581 HydrophobicContact CG1-CD1 4.1Å; I540-L581 HydrophobicContact CG1-CD2 3.97Å; I540-L581 HydrophobicContact CG2-CD2 3.72Å |
| 541 | K | 82.6 | Confident | 85.9 | Confident | 170 Ų | 170 | 45 Ų | 45 | 74% | 0.739 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.2 | -19.7 | 175.3 | -68.8 | 178.9 | -177.4 | -176.7 | 0 | 113.6 | S537 A538 L539 E543 | S537-K541 WeakPolarHBondContact O-CG 3.45Å; S537-K541 PolarHBondContact O-N 2.95Å; A538-K541 PolarHBondContact O-N 2.94Å; L539-K541 VanDerWaalsContact C-N 3.34Å; K541-E543 PolarHBondContact O-N 2.84Å |
| 542 | A | 77.6 | Confident | 85.9 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 16.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | N490 I493 A538 L539 I540 L544 | N490-A542 HydrophobicContact CB-CB 3.81Å; I493-A542 HydrophobicContact CG2-CB 4.46Å; A538-A542 PolarHBondContact O-N 3.05Å; L539-A542 WeakPolarHBondContact O-CA 3.31Å; L539-A542 WeakPolarHBondContact O-CB 3.43Å; L539-A542 PolarHBondContact O-N 3.35Å; L539-A542 VanDerWaalsContact O-N 3.09Å; I540-A542 PolarHBondContact O-N 3.46Å; I540-A542 VanDerWaalsContact O-N 3.15Å; A542-L544 PolarHBondContact O-N 3.22Å |
| 543 | E | 75.6 | Confident | 85.8 | Confident | 171 Ų | 171 | 44.8 Ų | 44.8 | 80% | 0.799 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 26.9 | 176.9 | -58.1 | -178.8 | 173.1 | 0 | 0 | 114 | I540 K541 | I540-E543 PolarHBondContact O-N 3.28Å; K541-E543 PolarHBondContact O-N 2.84Å |
| 544 | L | 73.8 | Confident | 85.8 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | trans | -92.6 | 124.2 | 171.2 | -63 | 168.1 | 0 | 0 | 0 | 109.5 | R494 L539 A542 L547 P548 | R494-L544 HydrophobicContact CB-CD1 3.78Å; R494-L544 HydrophobicContact CG-CD1 3.77Å; R494-L544 HydrophobicContact CG-CD2 4.06Å; L539-L544 HydrophobicContact CD2-CD1 3.8Å; L539-L544 PolarHBondContact O-N 3.21Å; A542-L544 PolarHBondContact O-N 3.22Å; L544-L547 HydrophobicContact CD1-CD2 4.44Å; L544-P548 HydrophobicContact CB-CG 4.14Å; L544-P548 VanDerWaalsContact O-CD 3.3Å; L544-P548 WeakPolarHBondContact O-CD 3.25Å; L544-P548 WeakPolarHBondContact O-CG 3.22Å | ||
| 545 | S | 74.2 | Confident | 85.7 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | trans | -103 | -48.6 | -176.7 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 546 | E | 81.5 | Confident | 85.7 | Confident | 82 Ų | 82 | 41.3 Ų | 41.3 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -73.1 | -39.6 | -176.5 | -67.4 | -167.9 | -173.9 | 0 | 0 | 114.3 | R550 A591 | E546-R550 PolarHBondContact O-N 2.84Å; E546-R550 IonicContact OE2-CZ 3.65Å; E546-R550 IonicContact OE2-NH2 3.54Å; E546-R550 PolarHBondContact OE2-NH2 3.01Å; E546-A591 VanDerWaalsContact OE1-CB 3.28Å; E546-A591 WeakPolarHBondContact OE1-CB 3.24Å |
| 547 | L | 86.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.1 | -47.8 | -173.3 | 179 | 67.9 | 0 | 0 | 0 | 111.9 | R494 P498 L544 L549 R550 L551 | R494-L547 HydrophobicContact CG-CD2 4.47Å; P498-L547 HydrophobicContact CG-CD2 3.71Å; P498-L547 HydrophobicContact CG-CG 4.44Å; L544-L547 HydrophobicContact CD1-CD2 4.44Å; L547-L549 VanDerWaalsContact C-N 3.28Å; L547-L549 PolarHBondContact O-N 3.5Å; L547-R550 PolarHBondContact O-N 3.38Å; L547-L551 HydrophobicContact CG-CD1 4.32Å; L547-L551 WeakPolarHBondContact O-CG 3.34Å; L547-L551 PolarHBondContact O-N 3.08Å |
| 548 | P | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.1 | -37.5 | 174.8 | -28.9 | 41.4 | 0 | 0 | 0 | 112.9 | I536 L539 I540 L544 R550 L551 F552 L581 | I536-P548 HydrophobicContact CG2-CB 3.71Å; L539-P548 HydrophobicContact CB-CG 3.7Å; I540-P548 HydrophobicContact CG1-CB 3.86Å; I540-P548 HydrophobicContact CG1-CG 4.2Å; L544-P548 HydrophobicContact CB-CG 4.14Å; L544-P548 VanDerWaalsContact O-CD 3.3Å; L544-P548 WeakPolarHBondContact O-CD 3.25Å; L544-P548 WeakPolarHBondContact O-CG 3.22Å; P548-R550 PolarHBondContact O-N 3.49Å; P548-L551 PolarHBondContact O-N 3.19Å; P548-F552 VanDerWaalsContact O-CD2 3.24Å; P548-F552 WeakPolarHBondContact O-CD2 3.38Å; P548-F552 PolarHBondContact O-N 3.49Å; P548-L581 HydrophobicContact CB-CD1 3.89Å |
| 549 | L | 89.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 175.2 | -179.1 | 150.7 | 0 | 0 | 0 | 110.9 | L547 L551 F552 L553 A578 I586 A595 I599 | L547-L549 VanDerWaalsContact C-N 3.28Å; L547-L549 PolarHBondContact O-N 3.5Å; L549-L551 VanDerWaalsContact C-N 3.32Å; L549-L551 PolarHBondContact O-N 3.44Å; L549-F552 PolarHBondContact O-N 3.37Å; L549-L553 HydrophobicContact CD2-CD1 3.64Å; L549-L553 HydrophobicContact CD2-CG 4.32Å; L549-L553 VanDerWaalsContact O-CG 3.31Å; L549-L553 WeakPolarHBondContact O-CG 3.19Å; L549-L553 PolarHBondContact O-N 3.35Å; L549-A578 HydrophobicContact CG-CB 4.38Å; L549-I586 HydrophobicContact CD1-CD1 3.64Å; L549-A595 HydrophobicContact CD1-CB 3.93Å; L549-A595 HydrophobicContact CD2-CB 4.31Å; L549-I599 HydrophobicContact CD1-CD1 4.31Å |
| 550 | R | 91.3 | Very high | 85.7 | Confident | 117 Ų | 117 | 41.5 Ų | 41.5 | 44% | 0.442 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 177.4 | -68.1 | -178.8 | -170.9 | 146.5 | 16.2 | 112 | E546 L547 P548 L553 Q554 L598 | E546-R550 PolarHBondContact O-N 2.84Å; E546-R550 IonicContact OE2-CZ 3.65Å; E546-R550 IonicContact OE2-NH2 3.54Å; E546-R550 PolarHBondContact OE2-NH2 3.01Å; L547-R550 PolarHBondContact O-N 3.38Å; P548-R550 PolarHBondContact O-N 3.49Å; R550-L553 PolarHBondContact O-N 3.42Å; R550-Q554 WeakPolarHBondContact O-CG 3.24Å; R550-Q554 PolarHBondContact O-N 3.2Å; R550-L598 HydrophobicContact CG-CD1 4.4Å |
| 551 | L | 91.2 | Very high | 85.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.8 | -68.5 | 174.6 | 0 | 0 | 0 | 112.3 | P498 V501 F502 Y505 I536 L539 L547 P548 L549 Q554 G555 | P498-L551 HydrophobicContact CB-CD1 4.27Å; V501-L551 HydrophobicContact CG1-CD2 4.23Å; F502-L551 HydrophobicContact CD2-CD2 4.46Å; F502-L551 HydrophobicContact CE2-CD2 3.79Å; F502-L551 HydrophobicContact CZ-CD2 3.97Å; Y505-L551 PolarHBondContact OH-O 2.85Å; I536-L551 HydrophobicContact CD1-CB 3.88Å; I536-L551 HydrophobicContact CG1-CB 4Å; I536-L551 HydrophobicContact CG1-CD1 4.34Å; I536-L551 HydrophobicContact CG2-CB 4.48Å; L539-L551 HydrophobicContact CD1-CD1 3.54Å; L547-L551 HydrophobicContact CG-CD1 4.32Å; L547-L551 WeakPolarHBondContact O-CG 3.34Å; L547-L551 PolarHBondContact O-N 3.08Å; P548-L551 PolarHBondContact O-N 3.19Å; L549-L551 VanDerWaalsContact C-N 3.32Å; L549-L551 PolarHBondContact O-N 3.44Å; L551-Q554 PolarHBondContact O-N 2.9Å; L551-G555 PolarHBondContact O-N 3Å |
| 552 | F | 92.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.8 | -78.8 | -53.7 | 0 | 0 | 0 | 112.2 | H533 I536 I540 P548 L549 Q554 G555 A556 F574 Q577 A578 L581 | H533-F552 AromaticContact CD2-CE1 3.72Å; I536-F552 HydrophobicContact CB-CD1 4.46Å; I536-F552 HydrophobicContact CB-CE1 3.91Å; I536-F552 HydrophobicContact CB-CE2 4.41Å; I536-F552 HydrophobicContact CB-CZ 3.9Å; I536-F552 HydrophobicContact CD1-CD1 3.88Å; I536-F552 HydrophobicContact CD1-CE1 4.05Å; I536-F552 HydrophobicContact CD1-CG 4.47Å; I536-F552 HydrophobicContact CG2-CD1 4.04Å; I536-F552 HydrophobicContact CG2-CD2 3.73Å; I536-F552 HydrophobicContact CG2-CE1 3.69Å; I536-F552 HydrophobicContact CG2-CE2 3.38Å; I536-F552 HydrophobicContact CG2-CG 4.05Å; I536-F552 HydrophobicContact CG2-CZ 3.35Å; I540-F552 HydrophobicContact CD1-CE2 3.63Å; I540-F552 HydrophobicContact CD1-CZ 3.93Å; I540-F552 HydrophobicContact CG1-CE2 4.43Å; P548-F552 VanDerWaalsContact O-CD2 3.24Å; P548-F552 WeakPolarHBondContact O-CD2 3.38Å; P548-F552 PolarHBondContact O-N 3.49Å; L549-F552 PolarHBondContact O-N 3.37Å; F552-Q554 PolarHBondContact O-N 3.37Å; F552-G555 PolarHBondContact O-N 3.49Å; F552-A556 WeakPolarHBondContact O-CB 3.36Å; F552-A556 PolarHBondContact O-N 3.14Å; F552-F574 HydrophobicContact CB-CB 4.48Å; F552-F574 HydrophobicContact CD1-CB 4.25Å; F552-F574 HydrophobicContact CD1-CD1 4.07Å; F552-F574 HydrophobicContact CD1-CD2 4.45Å; F552-F574 HydrophobicContact CD1-CG 4Å; F552-F574 HydrophobicContact CE1-CD1 4.32Å; F552-Q577 HydrophobicContact CD2-CB 4.32Å; F552-Q577 HydrophobicContact CE1-CB 4.4Å; F552-Q577 HydrophobicContact CE2-CB 4.05Å; F552-Q577 HydrophobicContact CZ-CB 4.1Å; F552-A578 HydrophobicContact CB-CB 4.13Å; F552-L581 HydrophobicContact CD2-CD1 3.83Å; F552-L581 HydrophobicContact CE2-CD1 3.76Å |
| 553 | L | 90.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 175.7 | -68 | -179.7 | 0 | 0 | 0 | 111.9 | L549 R550 A556 L557 M575 A578 L598 I599 T602 | L549-L553 HydrophobicContact CD2-CD1 3.64Å; L549-L553 HydrophobicContact CD2-CG 4.32Å; L549-L553 VanDerWaalsContact O-CG 3.31Å; L549-L553 WeakPolarHBondContact O-CG 3.19Å; L549-L553 PolarHBondContact O-N 3.35Å; R550-L553 PolarHBondContact O-N 3.42Å; L553-A556 PolarHBondContact O-N 2.84Å; L553-L557 PolarHBondContact O-N 3.32Å; L553-M575 HydrophobicContact CD2-CE 4.03Å; L553-M575 HydrophobicContact CD2-SD 3.5Å; L553-M575 VanDerWaalsContact CD2-SD 3.5Å; L553-A578 HydrophobicContact CD2-CB 4.13Å; L553-A578 HydrophobicContact CG-CB 4.46Å; L553-L598 HydrophobicContact CD1-CB 4.14Å; L553-I599 HydrophobicContact CD1-CG1 3.99Å; L553-I599 HydrophobicContact CD2-CG1 4.09Å; L553-T602 HydrophobicContact CB-CG2 3.95Å; L553-T602 HydrophobicContact CD2-CG2 4.06Å; L553-T602 HydrophobicContact CG-CG2 4.5Å |
| 554 | Q | 90.7 | Very high | 86.3 | Confident | 91 Ų | 91 | 30.7 Ų | 30.7 | 43% | 0.425 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65 | -39.3 | 174.1 | -70.5 | -61.2 | -25.5 | 0 | 0 | 112.1 | R550 L551 F552 A556 L557 A558 | R550-Q554 WeakPolarHBondContact O-CG 3.24Å; R550-Q554 PolarHBondContact O-N 3.2Å; L551-Q554 PolarHBondContact O-N 2.9Å; F552-Q554 PolarHBondContact O-N 3.37Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 3.18Å; Q554-L557 PolarHBondContact O-N 3.42Å; Q554-A558 WeakPolarHBondContact O-CB 3.32Å; Q554-A558 PolarHBondContact O-N 3.14Å |
| 555 | G | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y505 F529 L551 F552 A558 A559 | Y505-G555 WeakPolarHBondContact OH-CA 3.44Å; F529-G555 WeakPolarHBondContact CE1-O 3.44Å; L551-G555 PolarHBondContact O-N 3Å; F552-G555 PolarHBondContact O-N 3.49Å; G555-A558 PolarHBondContact O-N 3.31Å; G555-A559 VanDerWaalsContact O-CB 3.31Å; G555-A559 WeakPolarHBondContact O-CB 3.21Å; G555-A559 PolarHBondContact O-N 3.36Å |
| 556 | A | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | F552 L553 Q554 A559 G560 F574 M575 M606 | F552-A556 WeakPolarHBondContact O-CB 3.36Å; F552-A556 PolarHBondContact O-N 3.14Å; L553-A556 PolarHBondContact O-N 2.84Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 3.18Å; A556-A559 PolarHBondContact O-N 2.94Å; A556-G560 PolarHBondContact O-N 2.84Å; A556-F574 HydrophobicContact CB-CB 4.15Å; A556-M575 HydrophobicContact CB-CG 4.01Å; A556-M575 HydrophobicContact CB-SD 3.99Å; A556-M606 HydrophobicContact CB-CE 3.79Å; A556-M606 HydrophobicContact CB-SD 4.14Å |
| 557 | L | 89.3 | Confident | 86.8 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 172.2 | -70.6 | 171.5 | 0 | 0 | 0 | 111.7 | L553 Q554 A559 G560 E561 T602 R605 M606 | L553-L557 PolarHBondContact O-N 3.32Å; Q554-L557 PolarHBondContact O-N 3.42Å; L557-A559 VanDerWaalsContact C-N 3.33Å; L557-A559 PolarHBondContact O-N 3.21Å; L557-G560 PolarHBondContact O-N 2.95Å; L557-E561 PolarHBondContact O-N 2.98Å; L557-T602 HydrophobicContact CD1-CG2 3.89Å; L557-T602 HydrophobicContact CD2-CG2 3.85Å; L557-T602 HydrophobicContact CG-CG2 3.59Å; L557-R605 HydrophobicContact CD2-CB 4.07Å; L557-M606 HydrophobicContact CD2-CG 3.76Å |
| 558 | A | 89 | Confident | 86.7 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y505 F509 F529 Q554 G555 E561 I562 | Y505-A558 HydrophobicContact CD1-CB 4.4Å; Y505-A558 HydrophobicContact CG-CB 4.35Å; F509-A558 HydrophobicContact CE2-CB 4.09Å; F509-A558 HydrophobicContact CZ-CB 4.22Å; F529-A558 HydrophobicContact CE1-CB 4.29Å; F529-A558 HydrophobicContact CZ-CB 4.19Å; Q554-A558 WeakPolarHBondContact O-CB 3.32Å; Q554-A558 PolarHBondContact O-N 3.14Å; G555-A558 PolarHBondContact O-N 3.31Å; A558-E561 PolarHBondContact O-N 2.79Å; A558-I562 WeakPolarHBondContact O-CB 3.32Å; A558-I562 VanDerWaalsContact O-CG1 3.22Å; A558-I562 WeakPolarHBondContact O-CG1 3.42Å; A558-I562 PolarHBondContact O-N 3.22Å |
| 559 | A | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F529 G555 A556 L557 E561 I562 G563 F564 A571 | F529-A559 HydrophobicContact CD1-CB 4.42Å; F529-A559 HydrophobicContact CE1-CB 3.85Å; F529-A559 HydrophobicContact CZ-CB 3.91Å; G555-A559 VanDerWaalsContact O-CB 3.31Å; G555-A559 WeakPolarHBondContact O-CB 3.21Å; G555-A559 PolarHBondContact O-N 3.36Å; A556-A559 PolarHBondContact O-N 2.94Å; L557-A559 VanDerWaalsContact C-N 3.33Å; L557-A559 PolarHBondContact O-N 3.21Å; A559-E561 PolarHBondContact O-N 3.26Å; A559-I562 PolarHBondContact O-N 3.33Å; A559-G563 PolarHBondContact O-N 3.34Å; A559-F564 HydrophobicContact CB-CE1 4.24Å; A559-A571 HydrophobicContact CB-CB 4.22Å |
| 560 | G | 84.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A556 L557 | A556-G560 PolarHBondContact O-N 2.84Å; L557-G560 PolarHBondContact O-N 2.95Å |
| 561 | E | 85.7 | Confident | 86.3 | Confident | 127 Ų | 127 | 36.3 Ų | 36.3 | 59% | 0.593 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -76.7 | -34.5 | 175.9 | -74.6 | -172.9 | 174.3 | 0 | 0 | 112.8 | F509 K512 L557 A558 A559 | F509-E561 HydrophobicContact CE1-CB 4.17Å; F509-E561 HydrophobicContact CZ-CB 4.36Å; K512-E561 PolarHBondContact NZ-O 3.39Å; L557-E561 PolarHBondContact O-N 2.98Å; A558-E561 PolarHBondContact O-N 2.79Å; A559-E561 PolarHBondContact O-N 3.26Å |
| 562 | I | 84.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.6 | -46.8 | -176 | -72.6 | 170.9 | 0 | 0 | 0 | 111.4 | A508 F509 K512 W521 F529 A558 A559 F564 | A508-I562 HydrophobicContact CB-CD1 3.52Å; F509-I562 HydrophobicContact CD1-CD1 4.29Å; F509-I562 HydrophobicContact CD1-CG1 3.86Å; F509-I562 HydrophobicContact CE1-CD1 4.4Å; F509-I562 HydrophobicContact CE1-CG1 3.81Å; F509-I562 HydrophobicContact CG-CD1 4.4Å; F509-I562 HydrophobicContact CG-CG1 4.45Å; F509-I562 HydrophobicContact CZ-CG1 4.35Å; K512-I562 HydrophobicContact CB-CG2 4.29Å; K512-I562 HydrophobicContact CD-CB 4.26Å; K512-I562 HydrophobicContact CD-CG1 4.29Å; K512-I562 HydrophobicContact CD-CG2 4.12Å; K512-I562 WeakPolarHBondContact CD-O 3.48Å; K512-I562 WeakPolarHBondContact CE-O 3.44Å; K512-I562 PolarHBondContact NZ-O 3.15Å; W521-I562 HydrophobicContact CZ3-CG2 3.95Å; F529-I562 HydrophobicContact CE2-CD1 3.96Å; F529-I562 HydrophobicContact CZ-CD1 3.95Å; A558-I562 WeakPolarHBondContact O-CB 3.32Å; A558-I562 VanDerWaalsContact O-CG1 3.22Å; A558-I562 WeakPolarHBondContact O-CG1 3.42Å; A558-I562 PolarHBondContact O-N 3.22Å; A559-I562 PolarHBondContact O-N 3.33Å; I562-F564 HydrophobicContact CB-CD1 4.45Å; I562-F564 HydrophobicContact CG2-CD1 3.95Å |
| 563 | G | 79.4 | Confident | 86.1 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | trans | 73.9 | 50.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | A559 H567 | A559-G563 PolarHBondContact O-N 3.34Å; G563-H567 VanDerWaalsContact C-CD2 3.41Å; G563-H567 VanDerWaalsContact CA-CD2 3.41Å; G563-H567 WeakPolarHBondContact CA-CD2 3.45Å | ||
| 564 | F | 83 | Confident | 86.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | trans | -90.4 | 153.4 | 172.7 | 60.8 | -89.9 | 0 | 0 | 0 | 112 | W521 E522 C525 Q526 F529 A559 I562 N566 H567 V570 | W521-F564 HydrophobicContact CH2-CB 4.27Å; W521-F564 HydrophobicContact CZ3-CB 4.18Å; E522-F564 HydrophobicContact CB-CB 4.35Å; E522-F564 HydrophobicContact CG-CB 4.35Å; C525-F564 HydrophobicContact CB-CD1 4.37Å; C525-F564 HydrophobicContact CB-CG 4.48Å; Q526-F564 HydrophobicContact CG-CD2 3.69Å; Q526-F564 HydrophobicContact CG-CE2 3.66Å; F529-F564 AromaticContact CD2-CE1 3.63Å; F529-F564 HydrophobicContact CD2-CE1 3.63Å; F529-F564 AromaticContact CD2-CZ 3.88Å; F529-F564 HydrophobicContact CD2-CZ 3.88Å; F529-F564 HydrophobicContact CE2-CD1 4.29Å; F529-F564 AromaticContact CE2-CE1 3.54Å; F529-F564 HydrophobicContact CE2-CE1 3.54Å; F529-F564 HydrophobicContact CE2-CZ 4.25Å; F529-F564 HydrophobicContact CG-CZ 4.48Å; F529-F564 HydrophobicContact CZ-CE1 4.37Å; A559-F564 HydrophobicContact CB-CE1 4.24Å; I562-F564 HydrophobicContact CB-CD1 4.45Å; I562-F564 HydrophobicContact CG2-CD1 3.95Å; F564-N566 VanDerWaalsContact C-N 3.26Å; F564-N566 HydrophobicContact CD2-CB 4.43Å; F564-N566 VanDerWaalsContact CE2-C 3.44Å; F564-N566 HydrophobicContact CE2-CB 4.2Å; F564-N566 PolarHBondContact O-N 3.04Å; F564-H567 HydrophobicContact CD1-CB 3.8Å; F564-H567 HydrophobicContact CD2-CB 4.18Å; F564-H567 HydrophobicContact CE1-CB 3.74Å; F564-H567 HydrophobicContact CE2-CB 4.14Å; F564-H567 HydrophobicContact CG-CB 4.03Å; F564-H567 VanDerWaalsContact CZ-CA 3.49Å; F564-H567 HydrophobicContact CZ-CB 3.94Å; F564-H567 PolarHBondContact N-CD2 3.19Å; F564-H567 WeakPolarHBondContact O-CA 3.33Å; F564-H567 WeakPolarHBondContact O-CB 3.25Å; F564-H567 PolarHBondContact O-CD2 2.88Å; F564-H567 VanDerWaalsContact O-CG 3.26Å; F564-H567 PolarHBondContact O-N 3.23Å; F564-V570 HydrophobicContact CE2-CG2 4.04Å; F564-V570 HydrophobicContact CZ-CB 4.03Å; F564-V570 HydrophobicContact CZ-CG1 4.3Å; F564-V570 HydrophobicContact CZ-CG2 3.98Å | ||
| 565 | E | 75.1 | Confident | 86 | Confident | 151 Ų | 151 | 39 Ų | 39 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -39 | -39.9 | -170.3 | -71.8 | -177.3 | 158.1 | 0 | 0 | 117.8 | E522 | E522-E565 WeakPolarHBondContact OE2-CG 3.41Š|
| 566 | N | 82.2 | Confident | 86 | Confident | 80 Ų | 80 | 40.9 Ų | 40.9 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 21 | 179.7 | -68.4 | -28.1 | 0 | 0 | 0 | 114.2 | Q526 F564 E568 T569 V570 | Q526-N566 PolarHBondContact NE2-ND2 3.43Å; Q526-N566 VanDerWaalsContact NE2-ND2 3.18Å; F564-N566 VanDerWaalsContact C-N 3.26Å; F564-N566 HydrophobicContact CD2-CB 4.43Å; F564-N566 VanDerWaalsContact CE2-C 3.44Å; F564-N566 HydrophobicContact CE2-CB 4.2Å; F564-N566 PolarHBondContact O-N 3.04Å; N566-E568 VanDerWaalsContact C-N 3.29Å; N566-E568 PolarHBondContact O-N 3.09Å; N566-T569 PolarHBondContact O-N 3.4Å; N566-V570 WeakPolarHBondContact O-CG2 3.49Å; N566-V570 PolarHBondContact O-N 2.65Å |
| 567 | H | 82.3 | Confident | 86 | Confident | 44 Ų | 44 | 44 Ų | 44 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -35.6 | -173.2 | 66.5 | 72.8 | 0 | 0 | 0 | 112.5 | G563 F564 A571 | G563-H567 VanDerWaalsContact C-CD2 3.41Å; G563-H567 VanDerWaalsContact CA-CD2 3.41Å; G563-H567 WeakPolarHBondContact CA-CD2 3.45Å; F564-H567 HydrophobicContact CD1-CB 3.8Å; F564-H567 HydrophobicContact CD2-CB 4.18Å; F564-H567 HydrophobicContact CE1-CB 3.74Å; F564-H567 HydrophobicContact CE2-CB 4.14Å; F564-H567 HydrophobicContact CG-CB 4.03Å; F564-H567 VanDerWaalsContact CZ-CA 3.49Å; F564-H567 HydrophobicContact CZ-CB 3.94Å; F564-H567 PolarHBondContact N-CD2 3.19Å; F564-H567 WeakPolarHBondContact O-CA 3.33Å; F564-H567 WeakPolarHBondContact O-CB 3.25Å; F564-H567 PolarHBondContact O-CD2 2.88Å; F564-H567 VanDerWaalsContact O-CG 3.26Å; F564-H567 PolarHBondContact O-N 3.23Å; H567-A571 WeakPolarHBondContact O-CB 3.36Å; H567-A571 PolarHBondContact O-N 3.13Å |
| 568 | E | 83.9 | Confident | 86 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -47.4 | -178.3 | -173.7 | 178.1 | 178.3 | 0 | 0 | 111 | N566 V570 A571 Y572 F609 S610 N613 | N566-E568 VanDerWaalsContact C-N 3.29Å; N566-E568 PolarHBondContact O-N 3.09Å; E568-V570 PolarHBondContact O-N 2.95Å; E568-A571 PolarHBondContact O-N 3.29Å; E568-Y572 WeakPolarHBondContact O-CB 3.36Å; E568-Y572 PolarHBondContact O-N 3.24Å; E568-F609 HydrophobicContact CG-CD1 3.9Å; E568-F609 HydrophobicContact CG-CE1 4.48Å; E568-S610 WeakPolarHBondContact OE1-CB 3.49Å; E568-S610 PolarHBondContact OE1-N 3.1Å; E568-S610 PolarHBondContact OE1-OG 3.47Å; E568-N613 PolarHBondContact OE1-ND2 3.25Å |
| 569 | T | 86.6 | Confident | 86 | Confident | 93 Ų | 93 | 42.5 Ų | 42.5 | 57% | 0.571 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.5 | -44.1 | 177.8 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | N566 Y572 E573 | N566-T569 PolarHBondContact O-N 3.4Å; T569-Y572 PolarHBondContact O-N 2.58Å; T569-E573 WeakPolarHBondContact O-CB 3.31Å; T569-E573 PolarHBondContact O-N 3.45Å |
| 570 | V | 87.6 | Confident | 86.1 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | F529 F564 N566 E568 Y572 E573 F574 | F529-V570 HydrophobicContact CB-CG1 4.01Å; F529-V570 HydrophobicContact CD1-CG1 4.34Å; F529-V570 HydrophobicContact CG-CG1 4.23Å; F564-V570 HydrophobicContact CE2-CG2 4.04Å; F564-V570 HydrophobicContact CZ-CB 4.03Å; F564-V570 HydrophobicContact CZ-CG1 4.3Å; F564-V570 HydrophobicContact CZ-CG2 3.98Å; N566-V570 WeakPolarHBondContact O-CG2 3.49Å; N566-V570 PolarHBondContact O-N 2.65Å; E568-V570 PolarHBondContact O-N 2.95Å; V570-Y572 VanDerWaalsContact C-N 3.33Å; V570-E573 PolarHBondContact O-N 3.25Å; V570-F574 HydrophobicContact CG1-CE1 4.15Å; V570-F574 HydrophobicContact CG1-CE2 4.38Å; V570-F574 HydrophobicContact CG1-CZ 4.09Å; V570-F574 PolarHBondContact O-N 3.22Å |
| 571 | A | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A559 H567 E568 F574 M575 M606 F609 | A559-A571 HydrophobicContact CB-CB 4.22Å; H567-A571 WeakPolarHBondContact O-CB 3.36Å; H567-A571 PolarHBondContact O-N 3.13Å; E568-A571 PolarHBondContact O-N 3.29Å; A571-F574 PolarHBondContact O-N 3.47Å; A571-M575 VanDerWaalsContact O-CG 3.29Å; A571-M575 WeakPolarHBondContact O-CG 3.28Å; A571-M575 PolarHBondContact O-N 2.8Å; A571-M606 HydrophobicContact CB-CE 3.82Å; A571-F609 HydrophobicContact CB-CE1 4.04Å; A571-F609 HydrophobicContact CB-CZ 3.98Å |
| 572 | Y | 88.3 | Confident | 86.3 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 26% | 0.255 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.9 | -171.6 | -89.4 | 0 | 0 | 0 | 111.2 | E568 T569 V570 F574 M575 S576 F609 N613 L617 | E568-Y572 WeakPolarHBondContact O-CB 3.36Å; E568-Y572 PolarHBondContact O-N 3.24Å; T569-Y572 PolarHBondContact O-N 2.58Å; V570-Y572 VanDerWaalsContact C-N 3.33Å; Y572-F574 PolarHBondContact O-N 2.95Å; Y572-M575 PolarHBondContact O-N 2.87Å; Y572-S576 WeakPolarHBondContact O-CB 3.36Å; Y572-S576 PolarHBondContact O-N 2.92Å; Y572-F609 HydrophobicContact CD2-CE1 4.22Å; Y572-N613 HydrophobicContact CD2-CB 3.86Å; Y572-N613 HydrophobicContact CE2-CB 4.08Å; Y572-L617 HydrophobicContact CD2-CD1 3.68Å; Y572-L617 HydrophobicContact CD2-CG 4.15Å; Y572-L617 HydrophobicContact CE2-CD1 3.76Å; Y572-L617 HydrophobicContact CE2-CD2 4.02Å; Y572-L617 HydrophobicContact CE2-CG 3.68Å |
| 573 | E | 89.9 | Confident | 86.3 | Confident | 87 Ų | 87 | 42.7 Ų | 42.7 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.5 | -174.7 | 174.9 | -166.8 | 0 | 0 | 111 | T569 V570 M575 S576 Q577 | T569-E573 WeakPolarHBondContact O-CB 3.31Å; T569-E573 PolarHBondContact O-N 3.45Å; V570-E573 PolarHBondContact O-N 3.25Å; E573-M575 PolarHBondContact O-N 3.43Å; E573-S576 PolarHBondContact O-N 3.05Å; E573-Q577 VanDerWaalsContact O-CG 3.26Å; E573-Q577 WeakPolarHBondContact O-CG 3.49Å; E573-Q577 PolarHBondContact O-N 3.35Å |
| 574 | F | 90.5 | Very high | 86.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.8 | -75.5 | 9.6 | 0 | 0 | 0 | 112.7 | F529 H533 F552 A556 V570 A571 Y572 Q577 A578 | F529-F574 HydrophobicContact CB-CZ 4.42Å; F529-F574 AromaticContact CD1-CE2 3.77Å; F529-F574 HydrophobicContact CD1-CE2 3.77Å; F529-F574 HydrophobicContact CD1-CZ 4.07Å; F529-F574 HydrophobicContact CE1-CE2 4.38Å; H533-F574 HydrophobicContact CB-CE1 3.75Å; H533-F574 HydrophobicContact CB-CZ 4.11Å; H533-F574 AromaticContact CD2-CD1 3.83Å; H533-F574 AromaticContact CD2-CE1 3.5Å; H533-F574 AromaticContact CG-CE1 4Å; F552-F574 HydrophobicContact CB-CB 4.48Å; F552-F574 HydrophobicContact CD1-CB 4.25Å; F552-F574 HydrophobicContact CD1-CD1 4.07Å; F552-F574 HydrophobicContact CD1-CD2 4.45Å; F552-F574 HydrophobicContact CD1-CG 4Å; F552-F574 HydrophobicContact CE1-CD1 4.32Å; A556-F574 HydrophobicContact CB-CB 4.15Å; V570-F574 HydrophobicContact CG1-CE1 4.15Å; V570-F574 HydrophobicContact CG1-CE2 4.38Å; V570-F574 HydrophobicContact CG1-CZ 4.09Å; V570-F574 PolarHBondContact O-N 3.22Å; A571-F574 PolarHBondContact O-N 3.47Å; Y572-F574 PolarHBondContact O-N 2.95Å; F574-Q577 PolarHBondContact O-N 2.9Å; F574-A578 WeakPolarHBondContact O-CB 3.42Å; F574-A578 PolarHBondContact O-N 3.38Å |
| 575 | M | 89.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 174.4 | -72 | -62.5 | -63.6 | 0 | 0 | 111.5 | L553 A556 A571 Y572 E573 A578 F579 I599 F603 M606 F609 L617 | L553-M575 HydrophobicContact CD2-CE 4.03Å; L553-M575 HydrophobicContact CD2-SD 3.5Å; L553-M575 VanDerWaalsContact CD2-SD 3.5Å; A556-M575 HydrophobicContact CB-CG 4.01Å; A556-M575 HydrophobicContact CB-SD 3.99Å; A571-M575 VanDerWaalsContact O-CG 3.29Å; A571-M575 WeakPolarHBondContact O-CG 3.28Å; A571-M575 PolarHBondContact O-N 2.8Å; Y572-M575 PolarHBondContact O-N 2.87Å; E573-M575 PolarHBondContact O-N 3.43Å; M575-A578 PolarHBondContact O-N 3.32Å; M575-F579 HydrophobicContact CE-CE2 4.35Å; M575-F579 VanDerWaalsContact O-CD2 3.26Å; M575-F579 WeakPolarHBondContact O-CD2 3.43Å; M575-F579 PolarHBondContact O-N 2.68Å; M575-I599 HydrophobicContact CE-CG2 3.86Å; M575-F603 HydrophobicContact CE-CB 4.1Å; M575-F603 HydrophobicContact CE-CD2 4.25Å; M575-M606 HydrophobicContact CG-CE 4.31Å; M575-M606 HydrophobicContact CG-SD 4.19Å; M575-M606 HydrophobicContact SD-SD 3.96Å; M575-F609 HydrophobicContact CG-CE2 4.44Å; M575-F609 HydrophobicContact CG-CZ 4.11Å; M575-L617 HydrophobicContact CB-CD1 4.45Å; M575-L617 HydrophobicContact CB-CD2 4.45Å |
| 576 | S | 89.9 | Confident | 86.8 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.1 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | Y572 E573 F579 S580 | Y572-S576 WeakPolarHBondContact O-CB 3.36Å; Y572-S576 PolarHBondContact O-N 2.92Å; E573-S576 PolarHBondContact O-N 3.05Å; S576-F579 WeakPolarHBondContact O-CB 3.36Å; S576-F579 PolarHBondContact O-N 3.02Å; S576-S580 PolarHBondContact O-N 2.82Å; S576-S580 PolarHBondContact O-OG 3.5Å |
| 577 | Q | 89.3 | Confident | 86.8 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.5 | -68.5 | -66.6 | -23.8 | 0 | 0 | 111.6 | F552 E573 F574 F579 S580 L581 | F552-Q577 HydrophobicContact CD2-CB 4.32Å; F552-Q577 HydrophobicContact CE1-CB 4.4Å; F552-Q577 HydrophobicContact CE2-CB 4.05Å; F552-Q577 HydrophobicContact CZ-CB 4.1Å; E573-Q577 VanDerWaalsContact O-CG 3.26Å; E573-Q577 WeakPolarHBondContact O-CG 3.49Å; E573-Q577 PolarHBondContact O-N 3.35Å; F574-Q577 PolarHBondContact O-N 2.9Å; Q577-F579 VanDerWaalsContact C-N 3.32Å; Q577-F579 PolarHBondContact O-N 2.89Å; Q577-S580 PolarHBondContact O-N 2.91Å; Q577-L581 WeakPolarHBondContact O-CG 3.29Å; Q577-L581 PolarHBondContact O-N 3.39Å |
| 578 | A | 90.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L549 F552 L553 F574 M575 Y582 | L549-A578 HydrophobicContact CG-CB 4.38Å; F552-A578 HydrophobicContact CB-CB 4.13Å; L553-A578 HydrophobicContact CD2-CB 4.13Å; L553-A578 HydrophobicContact CG-CB 4.46Å; F574-A578 WeakPolarHBondContact O-CB 3.42Å; F574-A578 PolarHBondContact O-N 3.38Å; M575-A578 PolarHBondContact O-N 3.32Å; A578-Y582 WeakPolarHBondContact O-CB 3.29Å; A578-Y582 PolarHBondContact O-N 3.31Å |
| 579 | F | 88.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 172.7 | -88.2 | -67.1 | 0 | 0 | 0 | 112.9 | M575 S576 Q577 L581 Y582 E583 I596 I599 L617 Q620 C621 A624 | M575-F579 HydrophobicContact CE-CE2 4.35Å; M575-F579 VanDerWaalsContact O-CD2 3.26Å; M575-F579 WeakPolarHBondContact O-CD2 3.43Å; M575-F579 PolarHBondContact O-N 2.68Å; S576-F579 WeakPolarHBondContact O-CB 3.36Å; S576-F579 PolarHBondContact O-N 3.02Å; Q577-F579 VanDerWaalsContact C-N 3.32Å; Q577-F579 PolarHBondContact O-N 2.89Å; F579-L581 VanDerWaalsContact C-N 3.34Å; F579-L581 PolarHBondContact O-N 3.18Å; F579-Y582 WeakPolarHBondContact O-CB 3.35Å; F579-Y582 PolarHBondContact O-N 2.91Å; F579-E583 PolarHBondContact O-N 3.46Å; F579-I596 HydrophobicContact CE1-CD1 4.14Å; F579-I599 HydrophobicContact CD1-CD1 4.33Å; F579-I599 HydrophobicContact CE1-CD1 4.26Å; F579-I599 HydrophobicContact CE1-CG2 3.95Å; F579-I599 HydrophobicContact CE2-CG2 3.79Å; F579-I599 HydrophobicContact CZ-CG2 3.4Å; F579-L617 HydrophobicContact CD2-CD2 4.2Å; F579-L617 HydrophobicContact CE2-CD2 3.98Å; F579-Q620 HydrophobicContact CD1-CG 4.14Å; F579-Q620 HydrophobicContact CE1-CG 4.17Å; F579-Q620 HydrophobicContact CG-CG 4.38Å; F579-Q620 HydrophobicContact CZ-CG 4.44Å; F579-C621 VanDerWaalsContact CZ-SG 3.58Å; F579-A624 HydrophobicContact CE1-CB 4.47Å |
| 580 | S | 88.9 | Confident | 86.7 | Confident | 44 Ų | 44 | 50.1 Ų | 50.1 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | S576 Q577 Y582 E583 D584 | S576-S580 PolarHBondContact O-N 2.82Å; S576-S580 PolarHBondContact O-OG 3.5Å; Q577-S580 PolarHBondContact O-N 2.91Å; S580-Y582 VanDerWaalsContact C-N 3.31Å; S580-Y582 PolarHBondContact O-N 3.2Å; S580-E583 PolarHBondContact O-N 3.19Å; S580-D584 WeakPolarHBondContact O-CB 3.31Å; S580-D584 PolarHBondContact O-N 2.88Å |
| 581 | L | 86.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 175 | -72.3 | 176.7 | 0 | 0 | 0 | 113.2 | I540 P548 F552 Q577 F579 E585 I586 | I540-L581 HydrophobicContact CB-CD2 4.47Å; I540-L581 HydrophobicContact CD1-CD1 4.06Å; I540-L581 HydrophobicContact CD1-CD2 4.07Å; I540-L581 HydrophobicContact CD1-CG 4.4Å; I540-L581 HydrophobicContact CG1-CD1 4.1Å; I540-L581 HydrophobicContact CG1-CD2 3.97Å; I540-L581 HydrophobicContact CG2-CD2 3.72Å; P548-L581 HydrophobicContact CB-CD1 3.89Å; F552-L581 HydrophobicContact CD2-CD1 3.83Å; F552-L581 HydrophobicContact CE2-CD1 3.76Å; Q577-L581 WeakPolarHBondContact O-CG 3.29Å; Q577-L581 PolarHBondContact O-N 3.39Å; F579-L581 VanDerWaalsContact C-N 3.34Å; F579-L581 PolarHBondContact O-N 3.18Å; L581-E585 HydrophobicContact CD2-CG 4.19Å; L581-E585 WeakPolarHBondContact O-CB 3.13Å; L581-E585 PolarHBondContact O-N 3.01Å; L581-E585 VanDerWaalsContact O-N 3.08Å; L581-I586 PolarHBondContact O-N 2.88Å |
| 582 | Y | 87.4 | Confident | 86.5 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.6 | 165 | -93.6 | 0 | 0 | 0 | 112.4 | A578 F579 S580 Q592 A595 I596 I599 A624 L628 | A578-Y582 WeakPolarHBondContact O-CB 3.29Å; A578-Y582 PolarHBondContact O-N 3.31Å; F579-Y582 WeakPolarHBondContact O-CB 3.35Å; F579-Y582 PolarHBondContact O-N 2.91Å; S580-Y582 VanDerWaalsContact C-N 3.31Å; S580-Y582 PolarHBondContact O-N 3.2Å; Y582-Q592 HydrophobicContact CE2-CB 3.94Å; Y582-Q592 HydrophobicContact CE2-CG 4.1Å; Y582-Q592 WeakPolarHBondContact CE2-O 3.22Å; Y582-A595 HydrophobicContact CD2-CB 3.97Å; Y582-I596 HydrophobicContact CE2-CB 4.07Å; Y582-I599 HydrophobicContact CG-CD1 4.39Å; Y582-A624 HydrophobicContact CE1-CB 3.8Å; Y582-L628 WeakPolarHBondContact OH-CD2 3.26Å |
| 583 | E | 85.4 | Confident | 86.4 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.1 | -36.6 | -178.2 | -68 | -167.3 | 141.9 | 0 | 0 | 112.8 | F579 S580 K627 | F579-E583 PolarHBondContact O-N 3.46Å; S580-E583 PolarHBondContact O-N 3.19Å; E583-K627 IonicContact OE1-NZ 2.73Å; E583-K627 PolarHBondContact OE1-NZ 3.18Å |
| 584 | D | 84.6 | Confident | 86.3 | Confident | 127 Ų | 127 | 47.4 Ų | 47.4 | 68% | 0.679 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -92.4 | -41 | -171.1 | -64.1 | -28 | 0 | 0 | 0 | 113.5 | S580 | S580-D584 WeakPolarHBondContact O-CB 3.31Å; S580-D584 PolarHBondContact O-N 2.88Å |
| 585 | E | 81.3 | Confident | 86.2 | Confident | 105 Ų | 105 | 47.7 Ų | 47.7 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -29.8 | -165.6 | -63.6 | -68.4 | 161.6 | 0 | 0 | 114.1 | L581 S587 | L581-E585 HydrophobicContact CD2-CG 4.19Å; L581-E585 WeakPolarHBondContact O-CB 3.13Å; L581-E585 PolarHBondContact O-N 3.01Å; L581-E585 VanDerWaalsContact O-N 3.08Å; E585-S587 PolarHBondContact O-N 3.02Å |
| 586 | I | 82.1 | Confident | 86.2 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | trans | -87.9 | 101 | -177 | -55.2 | -178.6 | 0 | 0 | 0 | 110 | L549 L581 A591 Q592 A595 | L549-I586 HydrophobicContact CD1-CD1 3.64Å; L581-I586 PolarHBondContact O-N 2.88Å; I586-A591 HydrophobicContact CG2-CB 3.75Å; I586-Q592 HydrophobicContact CB-CG 4.4Å; I586-Q592 HydrophobicContact CG2-CG 3.77Å; I586-Q592 VanDerWaalsContact O-CG 3.3Å; I586-Q592 WeakPolarHBondContact O-CG 3.34Å; I586-Q592 PolarHBondContact O-NE2 2.83Å; I586-A595 HydrophobicContact CD1-CB 3.9Å | ||
| 587 | S | 80.6 | Confident | 86.2 | Confident | 110 Ų | 110 | 48 Ų | 48 | 77% | 0.769 | 26% | 0.263 | S | S | * | . | trans | -97.6 | -25.8 | -179.7 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | E585 S589 | E585-S587 PolarHBondContact O-N 3.02Å; S587-S589 PolarHBondContact O-N 3.35Å | ||
| 588 | D | 84.3 | Confident | 86.2 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | trans | -69.8 | 130 | -179.7 | 174.3 | 54.6 | 0 | 0 | 0 | 111.7 | K590 A591 Q592 | D588-K590 VanDerWaalsContact C-N 3.31Å; D588-K590 PolarHBondContact O-N 2.83Å; D588-K590 WeakPolarHBondContact OD2-CB 3.29Å; D588-K590 PolarHBondContact OD2-N 3.46Å; D588-K590 VanDerWaalsContact OD2-N 3.14Å; D588-A591 HydrophobicContact CB-CB 3.96Å; D588-A591 PolarHBondContact O-N 3.21Å; D588-A591 PolarHBondContact OD2-N 3.37Å; D588-Q592 WeakPolarHBondContact O-CB 3.4Å; D588-Q592 VanDerWaalsContact O-CG 3.31Å; D588-Q592 WeakPolarHBondContact O-CG 3.1Å; D588-Q592 PolarHBondContact O-N 2.83Å | ||
| 589 | S | 82.4 | Confident | 86.1 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 12% | 0.119 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -32.6 | -175.2 | 177.8 | 0 | 0 | 0 | 0 | 113.4 | S587 L593 K630 | S587-S589 PolarHBondContact O-N 3.35Å; S589-L593 PolarHBondContact O-N 3.31Å; S589-K630 WeakPolarHBondContact OG-CD 3.46Å |
| 590 | K | 85.1 | Confident | 86.1 | Confident | 156 Ų | 156 | 48.5 Ų | 48.5 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -76.5 | -43.5 | 177.6 | -69 | -178 | 177 | -179.9 | 0 | 110.3 | D588 Q592 L593 A594 | D588-K590 VanDerWaalsContact C-N 3.31Å; D588-K590 PolarHBondContact O-N 2.83Å; D588-K590 WeakPolarHBondContact OD2-CB 3.29Å; D588-K590 PolarHBondContact OD2-N 3.46Å; D588-K590 VanDerWaalsContact OD2-N 3.14Å; K590-Q592 VanDerWaalsContact C-N 3.33Å; K590-Q592 PolarHBondContact O-N 2.64Å; K590-L593 PolarHBondContact O-N 3.48Å; K590-A594 PolarHBondContact O-N 3Å |
| 591 | A | 84.9 | Confident | 86 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E546 I586 D588 L593 A594 A595 | E546-A591 VanDerWaalsContact OE1-CB 3.28Å; E546-A591 WeakPolarHBondContact OE1-CB 3.24Å; I586-A591 HydrophobicContact CG2-CB 3.75Å; D588-A591 HydrophobicContact CB-CB 3.96Å; D588-A591 PolarHBondContact O-N 3.21Å; D588-A591 PolarHBondContact OD2-N 3.37Å; A591-L593 PolarHBondContact O-N 3.35Å; A591-A594 PolarHBondContact O-N 3.44Å; A591-A595 VanDerWaalsContact O-CB 3.25Å; A591-A595 WeakPolarHBondContact O-CB 3.3Å; A591-A595 PolarHBondContact O-N 2.95Å |
| 592 | Q | 85.9 | Confident | 86 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.5 | -77.8 | -177.6 | -14.9 | 0 | 0 | 111.7 | Y582 I586 D588 K590 A594 A595 I596 L628 | Y582-Q592 HydrophobicContact CE2-CB 3.94Å; Y582-Q592 HydrophobicContact CE2-CG 4.1Å; Y582-Q592 WeakPolarHBondContact CE2-O 3.22Å; I586-Q592 HydrophobicContact CB-CG 4.4Å; I586-Q592 HydrophobicContact CG2-CG 3.77Å; I586-Q592 VanDerWaalsContact O-CG 3.3Å; I586-Q592 WeakPolarHBondContact O-CG 3.34Å; I586-Q592 PolarHBondContact O-NE2 2.83Å; D588-Q592 WeakPolarHBondContact O-CB 3.4Å; D588-Q592 VanDerWaalsContact O-CG 3.31Å; D588-Q592 WeakPolarHBondContact O-CG 3.1Å; D588-Q592 PolarHBondContact O-N 2.83Å; K590-Q592 VanDerWaalsContact C-N 3.33Å; K590-Q592 PolarHBondContact O-N 2.64Å; Q592-A594 VanDerWaalsContact C-N 3.35Å; Q592-A594 PolarHBondContact O-N 3.46Å; Q592-A595 PolarHBondContact O-N 3.47Å; Q592-I596 WeakPolarHBondContact O-CG2 3.37Å; Q592-I596 PolarHBondContact O-N 2.89Å; Q592-L628 HydrophobicContact CB-CD2 3.98Å |
| 593 | L | 86.8 | Confident | 85.8 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.6 | -179.5 | 64.9 | 0 | 0 | 0 | 111.6 | S589 K590 A591 I596 T597 L628 D633 A637 | S589-L593 PolarHBondContact O-N 3.31Å; K590-L593 PolarHBondContact O-N 3.48Å; A591-L593 PolarHBondContact O-N 3.35Å; L593-I596 HydrophobicContact CD1-CG2 4.4Å; L593-I596 WeakPolarHBondContact O-CG2 3.26Å; L593-T597 VanDerWaalsContact O-CB 3.25Å; L593-T597 WeakPolarHBondContact O-CB 3.3Å; L593-T597 PolarHBondContact O-N 3.09Å; L593-T597 PolarHBondContact O-OG1 2.92Å; L593-L628 HydrophobicContact CD1-CD1 4.13Å; L593-D633 HydrophobicContact CB-CB 4.49Å; L593-D633 HydrophobicContact CD1-CB 4.18Å; L593-D633 HydrophobicContact CD2-CB 3.97Å; L593-D633 HydrophobicContact CG-CB 4.43Å; L593-A637 HydrophobicContact CD1-CB 4.04Å |
| 594 | A | 87.6 | Confident | 85.7 | Confident | 45 Ų | 45 | 46 Ų | 46 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K590 A591 Q592 T597 L598 | K590-A594 PolarHBondContact O-N 3Å; A591-A594 PolarHBondContact O-N 3.44Å; Q592-A594 VanDerWaalsContact C-N 3.35Å; Q592-A594 PolarHBondContact O-N 3.46Å; A594-T597 PolarHBondContact O-N 3.44Å; A594-L598 WeakPolarHBondContact O-CB 3.43Å; A594-L598 VanDerWaalsContact O-CG 3.29Å; A594-L598 WeakPolarHBondContact O-CG 3.5Å; A594-L598 PolarHBondContact O-N 3.5Å |
| 595 | A | 88.7 | Confident | 85.5 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -50.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L549 Y582 I586 A591 Q592 T597 L598 I599 | L549-A595 HydrophobicContact CD1-CB 3.93Å; L549-A595 HydrophobicContact CD2-CB 4.31Å; Y582-A595 HydrophobicContact CD2-CB 3.97Å; I586-A595 HydrophobicContact CD1-CB 3.9Å; A591-A595 VanDerWaalsContact O-CB 3.25Å; A591-A595 WeakPolarHBondContact O-CB 3.3Å; A591-A595 PolarHBondContact O-N 2.95Å; Q592-A595 PolarHBondContact O-N 3.47Å; A595-T597 VanDerWaalsContact C-N 3.32Å; A595-T597 PolarHBondContact O-N 3.19Å; A595-L598 PolarHBondContact O-N 3.09Å; A595-I599 VanDerWaalsContact O-CG1 3.27Å; A595-I599 WeakPolarHBondContact O-CG1 3.41Å; A595-I599 PolarHBondContact O-N 3.36Å |
| 596 | I | 89 | Confident | 85.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -36.3 | 179.8 | -166.1 | 60.2 | 0 | 0 | 0 | 111.9 | F579 Y582 Q592 L593 L598 I599 I600 A624 L628 A637 | F579-I596 HydrophobicContact CE1-CD1 4.14Å; Y582-I596 HydrophobicContact CE2-CB 4.07Å; Q592-I596 WeakPolarHBondContact O-CG2 3.37Å; Q592-I596 PolarHBondContact O-N 2.89Å; L593-I596 HydrophobicContact CD1-CG2 4.4Å; L593-I596 WeakPolarHBondContact O-CG2 3.26Å; I596-L598 VanDerWaalsContact C-N 3.33Å; I596-I599 HydrophobicContact CD1-CD1 4.41Å; I596-I599 PolarHBondContact O-N 2.87Å; I596-I600 HydrophobicContact CG1-CD1 4.04Å; I596-I600 HydrophobicContact CG1-CG1 4.49Å; I596-I600 WeakPolarHBondContact O-CB 3.48Å; I596-I600 VanDerWaalsContact O-CG1 3.23Å; I596-I600 WeakPolarHBondContact O-CG1 3.41Å; I596-I600 PolarHBondContact O-N 3.25Å; I596-A624 HydrophobicContact CD1-CB 3.74Å; I596-L628 HydrophobicContact CG2-CD1 4.38Å; I596-A637 HydrophobicContact CG2-CB 4.24Å |
| 597 | T | 89.1 | Confident | 85 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 31% | 0.307 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 175 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L593 A594 A595 G601 I640 | L593-T597 VanDerWaalsContact O-CB 3.25Å; L593-T597 WeakPolarHBondContact O-CB 3.3Å; L593-T597 PolarHBondContact O-N 3.09Å; L593-T597 PolarHBondContact O-OG1 2.92Å; A594-T597 PolarHBondContact O-N 3.44Å; A595-T597 VanDerWaalsContact C-N 3.32Å; A595-T597 PolarHBondContact O-N 3.19Å; T597-G601 PolarHBondContact O-N 3.22Å; T597-I640 HydrophobicContact CG2-CD1 4.09Å |
| 598 | L | 89.7 | Confident | 84.6 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 40% | 0.398 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 174.8 | -75.2 | 171.7 | 0 | 0 | 0 | 112.3 | R550 L553 A594 A595 I596 G601 T602 | R550-L598 HydrophobicContact CG-CD1 4.4Å; L553-L598 HydrophobicContact CD1-CB 4.14Å; A594-L598 WeakPolarHBondContact O-CB 3.43Å; A594-L598 VanDerWaalsContact O-CG 3.29Å; A594-L598 WeakPolarHBondContact O-CG 3.5Å; A594-L598 PolarHBondContact O-N 3.5Å; A595-L598 PolarHBondContact O-N 3.09Å; I596-L598 VanDerWaalsContact C-N 3.33Å; L598-G601 PolarHBondContact O-N 3.42Å; L598-T602 VanDerWaalsContact O-CB 3.28Å; L598-T602 WeakPolarHBondContact O-CB 3.42Å; L598-T602 PolarHBondContact O-N 3.11Å; L598-T602 PolarHBondContact O-OG1 3.3Å |
| 599 | I | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -49.6 | 175.2 | -68.6 | 167.7 | 0 | 0 | 0 | 109.7 | L549 L553 M575 F579 Y582 A595 I596 G601 T602 F603 | L549-I599 HydrophobicContact CD1-CD1 4.31Å; L553-I599 HydrophobicContact CD1-CG1 3.99Å; L553-I599 HydrophobicContact CD2-CG1 4.09Å; M575-I599 HydrophobicContact CE-CG2 3.86Å; F579-I599 HydrophobicContact CD1-CD1 4.33Å; F579-I599 HydrophobicContact CE1-CD1 4.26Å; F579-I599 HydrophobicContact CE1-CG2 3.95Å; F579-I599 HydrophobicContact CE2-CG2 3.79Å; F579-I599 HydrophobicContact CZ-CG2 3.4Å; Y582-I599 HydrophobicContact CG-CD1 4.39Å; A595-I599 VanDerWaalsContact O-CG1 3.27Å; A595-I599 WeakPolarHBondContact O-CG1 3.41Å; A595-I599 PolarHBondContact O-N 3.36Å; I596-I599 HydrophobicContact CD1-CD1 4.41Å; I596-I599 PolarHBondContact O-N 2.87Å; I599-G601 PolarHBondContact O-N 2.98Å; I599-T602 PolarHBondContact O-N 3.33Å; I599-F603 VanDerWaalsContact O-CB 3.29Å; I599-F603 WeakPolarHBondContact O-CB 3.41Å; I599-F603 PolarHBondContact O-N 3.19Å |
| 600 | I | 87.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 178.9 | -67.8 | 165.1 | 0 | 0 | 0 | 110.7 | I596 T602 F603 E604 C621 I640 C641 L644 | I596-I600 HydrophobicContact CG1-CD1 4.04Å; I596-I600 HydrophobicContact CG1-CG1 4.49Å; I596-I600 WeakPolarHBondContact O-CB 3.48Å; I596-I600 VanDerWaalsContact O-CG1 3.23Å; I596-I600 WeakPolarHBondContact O-CG1 3.41Å; I596-I600 PolarHBondContact O-N 3.25Å; I600-T602 VanDerWaalsContact C-N 3.33Å; I600-T602 PolarHBondContact O-N 2.88Å; I600-F603 PolarHBondContact O-N 3.45Å; I600-E604 WeakPolarHBondContact O-CB 3.47Å; I600-E604 PolarHBondContact O-N 2.77Å; I600-C621 HydrophobicContact CG1-CB 4.23Å; I600-I640 HydrophobicContact CB-CG2 4.34Å; I600-I640 HydrophobicContact CD1-CG2 4.32Å; I600-I640 HydrophobicContact CG2-CG2 3.71Å; I600-C641 HydrophobicContact CD1-CB 4.33Å; I600-L644 HydrophobicContact CB-CD1 4.43Å; I600-L644 HydrophobicContact CG1-CD1 4.17Å; I600-L644 HydrophobicContact CG2-CD1 3.88Å; I600-L644 HydrophobicContact CG2-CD2 3.82Å; I600-L644 HydrophobicContact CG2-CG 3.71Å |
| 601 | G | 86.8 | Confident | 83.5 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -32.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T597 L598 I599 R605 | T597-G601 PolarHBondContact O-N 3.22Å; L598-G601 PolarHBondContact O-N 3.42Å; I599-G601 PolarHBondContact O-N 2.98Å; G601-R605 WeakPolarHBondContact O-CG 3.46Å; G601-R605 PolarHBondContact O-N 2.92Å |
| 602 | T | 87 | Confident | 83.1 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67 | -50.2 | 173.4 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | L553 L557 L598 I599 I600 E604 R605 M606 | L553-T602 HydrophobicContact CB-CG2 3.95Å; L553-T602 HydrophobicContact CD2-CG2 4.06Å; L553-T602 HydrophobicContact CG-CG2 4.5Å; L557-T602 HydrophobicContact CD1-CG2 3.89Å; L557-T602 HydrophobicContact CD2-CG2 3.85Å; L557-T602 HydrophobicContact CG-CG2 3.59Å; L598-T602 VanDerWaalsContact O-CB 3.28Å; L598-T602 WeakPolarHBondContact O-CB 3.42Å; L598-T602 PolarHBondContact O-N 3.11Å; L598-T602 PolarHBondContact O-OG1 3.3Å; I599-T602 PolarHBondContact O-N 3.33Å; I600-T602 VanDerWaalsContact C-N 3.33Å; I600-T602 PolarHBondContact O-N 2.88Å; T602-E604 VanDerWaalsContact C-N 3.32Å; T602-E604 PolarHBondContact O-N 3.14Å; T602-R605 PolarHBondContact O-N 3.43Å; T602-M606 HydrophobicContact CG2-SD 4.24Å; T602-M606 WeakPolarHBondContact O-CG 3.43Å; T602-M606 PolarHBondContact O-N 3.38Å |
| 603 | F | 84.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | -178.9 | -173.4 | -111.7 | 0 | 0 | 0 | 112.6 | M575 I599 I600 R605 M606 F609 H614 L617 R618 L644 | M575-F603 HydrophobicContact CE-CB 4.1Å; M575-F603 HydrophobicContact CE-CD2 4.25Å; I599-F603 VanDerWaalsContact O-CB 3.29Å; I599-F603 WeakPolarHBondContact O-CB 3.41Å; I599-F603 PolarHBondContact O-N 3.19Å; I600-F603 PolarHBondContact O-N 3.45Å; F603-R605 VanDerWaalsContact C-N 3.27Å; F603-R605 PolarHBondContact O-N 3.1Å; F603-M606 PolarHBondContact O-N 3.29Å; F603-F609 HydrophobicContact CD2-CD2 4.1Å; F603-F609 AromaticContact CD2-CE2 3.88Å; F603-F609 HydrophobicContact CD2-CE2 3.88Å; F603-F609 AromaticContact CE2-CD2 3.55Å; F603-F609 HydrophobicContact CE2-CD2 3.55Å; F603-F609 AromaticContact CE2-CE2 3.7Å; F603-F609 HydrophobicContact CE2-CE2 3.7Å; F603-H614 AromaticContact CE1-CD2 3.77Å; F603-H614 AromaticContact CE1-CE1 3.96Å; F603-H614 AromaticContact CE1-NE2 3.43Å; F603-H614 WeakPolarHBondContact CE1-NE2 3.41Å; F603-H614 AromaticContact CE2-CD2 3.76Å; F603-H614 HydrophobicContact CZ-CB 4.46Å; F603-H614 AromaticContact CZ-CD2 3.13Å; F603-H614 WeakPolarHBondContact CZ-CD2 3.12Å; F603-H614 AromaticContact CZ-CG 3.72Å; F603-H614 AromaticContact CZ-NE2 3.35Å; F603-H614 VanDerWaalsContact CZ-NE2 3.35Å; F603-H614 WeakPolarHBondContact CZ-NE2 3.42Å; F603-L617 HydrophobicContact CD2-CD1 4.29Å; F603-L617 HydrophobicContact CE2-CB 3.77Å; F603-L617 HydrophobicContact CE2-CD1 3.63Å; F603-L617 HydrophobicContact CE2-CG 4.37Å; F603-L617 HydrophobicContact CZ-CB 3.76Å; F603-L617 HydrophobicContact CZ-CD1 4.39Å; F603-R618 HydrophobicContact CE1-CG 3.55Å; F603-R618 HydrophobicContact CZ-CG 4.16Å; F603-L644 HydrophobicContact CD1-CD1 3.89Å; F603-L644 HydrophobicContact CD1-CD2 3.64Å; F603-L644 HydrophobicContact CD1-CG 4.31Å; F603-L644 HydrophobicContact CE1-CD1 4.41Å; F603-L644 HydrophobicContact CE1-CD2 4.41Å |
| 604 | E | 82.2 | Confident | 82.6 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.7 | -35.6 | 172.7 | -173.3 | -178.3 | -174.5 | 0 | 0 | 112.7 | I600 T602 L644 S647 | I600-E604 WeakPolarHBondContact O-CB 3.47Å; I600-E604 PolarHBondContact O-N 2.77Å; T602-E604 VanDerWaalsContact C-N 3.32Å; T602-E604 PolarHBondContact O-N 3.14Å; E604-L644 HydrophobicContact CB-CD2 4.01Å; E604-S647 WeakPolarHBondContact OE1-CB 3.35Å; E604-S647 PolarHBondContact OE1-OG 3.19Å |
| 605 | R | 81 | Confident | 82.3 | Confident | 198 Ų | 198 | 45.7 Ų | 45.7 | 75% | 0.747 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -80.1 | -20.6 | 179.4 | -70.5 | -176.2 | 177 | -162.1 | -0.3 | 113.3 | L557 G601 T602 F603 | L557-R605 HydrophobicContact CD2-CB 4.07Å; G601-R605 WeakPolarHBondContact O-CG 3.46Å; G601-R605 PolarHBondContact O-N 2.92Å; T602-R605 PolarHBondContact O-N 3.43Å; F603-R605 VanDerWaalsContact C-N 3.27Å; F603-R605 PolarHBondContact O-N 3.1Å |
| 606 | M | 80.5 | Confident | 82.1 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | trans | -72.1 | 139.2 | -179.8 | -68.7 | 175.6 | 78 | 0 | 0 | 110.6 | A556 L557 A571 M575 T602 F603 C608 F609 | A556-M606 HydrophobicContact CB-CE 3.79Å; A556-M606 HydrophobicContact CB-SD 4.14Å; L557-M606 HydrophobicContact CD2-CG 3.76Å; A571-M606 HydrophobicContact CB-CE 3.82Å; M575-M606 HydrophobicContact CG-CE 4.31Å; M575-M606 HydrophobicContact CG-SD 4.19Å; M575-M606 HydrophobicContact SD-SD 3.96Å; T602-M606 HydrophobicContact CG2-SD 4.24Å; T602-M606 WeakPolarHBondContact O-CG 3.43Å; T602-M606 PolarHBondContact O-N 3.38Å; F603-M606 PolarHBondContact O-N 3.29Å; M606-C608 VanDerWaalsContact CE-SG 3.57Å; M606-F609 HydrophobicContact CB-CD2 4.49Å; M606-F609 HydrophobicContact CB-CE2 4.39Å; M606-F609 HydrophobicContact CE-CD2 4.24Å; M606-F609 HydrophobicContact CE-CE1 4.49Å; M606-F609 HydrophobicContact CE-CE2 3.25Å; M606-F609 HydrophobicContact CE-CZ 3.41Å; M606-F609 VanDerWaalsContact CE-CZ 3.41Å; M606-F609 HydrophobicContact SD-CE2 3.79Å; M606-F609 HydrophobicContact SD-CZ 4.39Å | ||
| 607 | R | 72.6 | Confident | 81.9 | Confident | 151 Ų | 151 | 48.1 Ų | 48.1 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | trans | -122.3 | 7.4 | 178.6 | -55.4 | -174.4 | -175.3 | 174.4 | 3.9 | 113.1 | R649 T651 | R607-R649 HydrophobicContact CG-CB 4.18Å; R607-R649 VanDerWaalsContact NH2-NH1 3.17Å; R607-T651 WeakPolarHBondContact O-CG2 3.48Å | ||
| 608 | C | 72.6 | Confident | 81.7 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | trans | -95.8 | -8.4 | -165 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | M606 | M606-C608 VanDerWaalsContact CE-SG 3.57Š| ||
| 609 | F | 79 | Confident | 81.5 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | trans | -93.3 | 133.7 | -175.6 | -63.3 | -59.7 | 0 | 0 | 0 | 112.4 | E568 A571 Y572 M575 F603 M606 N613 H614 L617 S650 T651 | E568-F609 HydrophobicContact CG-CD1 3.9Å; E568-F609 HydrophobicContact CG-CE1 4.48Å; A571-F609 HydrophobicContact CB-CE1 4.04Å; A571-F609 HydrophobicContact CB-CZ 3.98Å; Y572-F609 HydrophobicContact CD2-CE1 4.22Å; M575-F609 HydrophobicContact CG-CE2 4.44Å; M575-F609 HydrophobicContact CG-CZ 4.11Å; F603-F609 HydrophobicContact CD2-CD2 4.1Å; F603-F609 AromaticContact CD2-CE2 3.88Å; F603-F609 HydrophobicContact CD2-CE2 3.88Å; F603-F609 AromaticContact CE2-CD2 3.55Å; F603-F609 HydrophobicContact CE2-CD2 3.55Å; F603-F609 AromaticContact CE2-CE2 3.7Å; F603-F609 HydrophobicContact CE2-CE2 3.7Å; M606-F609 HydrophobicContact CB-CD2 4.49Å; M606-F609 HydrophobicContact CB-CE2 4.39Å; M606-F609 HydrophobicContact CE-CD2 4.24Å; M606-F609 HydrophobicContact CE-CE1 4.49Å; M606-F609 HydrophobicContact CE-CE2 3.25Å; M606-F609 HydrophobicContact CE-CZ 3.41Å; M606-F609 VanDerWaalsContact CE-CZ 3.41Å; M606-F609 HydrophobicContact SD-CE2 3.79Å; M606-F609 HydrophobicContact SD-CZ 4.39Å; F609-N613 HydrophobicContact CD1-CB 4.19Å; F609-H614 HydrophobicContact CB-CB 3.97Å; F609-L617 HydrophobicContact CD2-CD1 4.41Å; F609-L617 HydrophobicContact CE1-CD1 4.42Å; F609-L617 HydrophobicContact CE2-CD1 4Å; F609-L617 HydrophobicContact CZ-CD1 4.02Å; F609-S650 PolarHBondContact O-OG 3.38Å; F609-T651 PolarHBondContact O-N 2.97Å; F609-T651 PolarHBondContact O-OG1 3.4Å | ||
| 610 | S | 77 | Confident | 81.3 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 12% | 0.119 | 23% | 0.229 | C | C | . | . | trans | -64.5 | 159.2 | 161.8 | 60 | 0 | 0 | 0 | 0 | 111.1 | E568 E612 N613 H614 T651 | E568-S610 WeakPolarHBondContact OE1-CB 3.49Å; E568-S610 PolarHBondContact OE1-N 3.1Å; E568-S610 PolarHBondContact OE1-OG 3.47Å; S610-E612 PolarHBondContact O-N 3.42Å; S610-N613 PolarHBondContact O-N 2.92Å; S610-H614 WeakPolarHBondContact O-CB 3.05Å; S610-H614 PolarHBondContact O-N 3.37Å; S610-T651 WeakPolarHBondContact CA-OG1 3.4Å; S610-T651 PolarHBondContact N-OG1 3.38Å | ||
| 611 | E | 72.4 | Confident | 81.3 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -31.3 | 178.1 | -76.7 | -73.1 | 176.1 | 0 | 0 | 112.1 | N613 H614 E615 R618 S650 D652 | E611-N613 PolarHBondContact O-N 2.94Å; E611-H614 PolarHBondContact O-N 3.46Å; E611-E615 WeakPolarHBondContact O-CB 3.42Å; E611-E615 PolarHBondContact O-N 3Å; E611-R618 IonicContact OE2-CZ 2.87Å; E611-R618 IonicContact OE2-NH2 2.86Å; E611-R618 PolarHBondContact OE2-NH2 3.21Å; E611-S650 PolarHBondContact N-OG 2.95Å; E611-D652 HydrophobicContact CG-CB 4.36Å; E611-D652 PolarHBondContact N-OD2 3.46Å |
| 612 | E | 76.7 | Confident | 81.2 | Confident | 164 Ų | 164 | 47.4 Ų | 47.4 | 77% | 0.766 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.3 | -40.7 | 178.6 | -63.9 | -168.3 | 166.7 | 0 | 0 | 112.9 | S610 P616 | S610-E612 PolarHBondContact O-N 3.42Å; E612-P616 WeakPolarHBondContact O-CD 3.14Å; E612-P616 VanDerWaalsContact O-CG 3.28Å; E612-P616 WeakPolarHBondContact O-CG 3.44Å |
| 613 | N | 79.8 | Confident | 81.2 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -90.2 | -26 | 177.6 | -70.8 | -38.7 | 0 | 0 | 0 | 112.3 | E568 Y572 F609 S610 E611 | E568-N613 PolarHBondContact OE1-ND2 3.25Å; Y572-N613 HydrophobicContact CD2-CB 3.86Å; Y572-N613 HydrophobicContact CE2-CB 4.08Å; F609-N613 HydrophobicContact CD1-CB 4.19Å; S610-N613 PolarHBondContact O-N 2.92Å; E611-N613 PolarHBondContact O-N 2.94Å |
| 614 | H | 80.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.5 | -37.1 | -177.3 | -170.2 | -96 | 0 | 0 | 0 | 112.7 | F603 F609 S610 E611 R618 I658 | F603-H614 AromaticContact CE1-CD2 3.77Å; F603-H614 AromaticContact CE1-CE1 3.96Å; F603-H614 AromaticContact CE1-NE2 3.43Å; F603-H614 WeakPolarHBondContact CE1-NE2 3.41Å; F603-H614 AromaticContact CE2-CD2 3.76Å; F603-H614 HydrophobicContact CZ-CB 4.46Å; F603-H614 AromaticContact CZ-CD2 3.13Å; F603-H614 WeakPolarHBondContact CZ-CD2 3.12Å; F603-H614 AromaticContact CZ-CG 3.72Å; F603-H614 AromaticContact CZ-NE2 3.35Å; F603-H614 VanDerWaalsContact CZ-NE2 3.35Å; F603-H614 WeakPolarHBondContact CZ-NE2 3.42Å; F609-H614 HydrophobicContact CB-CB 3.97Å; S610-H614 WeakPolarHBondContact O-CB 3.05Å; S610-H614 PolarHBondContact O-N 3.37Å; E611-H614 PolarHBondContact O-N 3.46Å; H614-R618 VanDerWaalsContact CE1-CD 3.46Å; H614-R618 WeakPolarHBondContact CE1-CD 3.42Å; H614-R618 PolarHBondContact CE1-NE 3.07Å; H614-R618 VanDerWaalsContact ND1-CZ 3.27Å; H614-R618 PolarHBondContact ND1-NE 3.16Å; H614-R618 PolarHBondContact ND1-NH2 3.4Å; H614-R618 WeakPolarHBondContact O-CG 3.42Å; H614-R618 PolarHBondContact O-N 3.06Å; H614-R618 VanDerWaalsContact O-N 3.12Å; H614-R618 PolarHBondContact O-NE 3.2Å; H614-I658 WeakPolarHBondContact CE1-CD1 3.47Å |
| 615 | E | 81.4 | Confident | 81.5 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 177.7 | 179.9 | 166.8 | -139.4 | 0 | 0 | 114.6 | E611 L617 R618 T619 R663 | E611-E615 WeakPolarHBondContact O-CB 3.42Å; E611-E615 PolarHBondContact O-N 3Å; E615-L617 PolarHBondContact O-N 2.83Å; E615-R618 PolarHBondContact O-N 3.11Å; E615-T619 PolarHBondContact O-N 2.99Å; E615-T619 PolarHBondContact O-OG1 3.04Å; E615-R663 IonicContact OE1-CZ 2.73Å; E615-R663 IonicContact OE1-NH1 3.23Å; E615-R663 PolarHBondContact OE1-NH1 3.38Å; E615-R663 IonicContact OE1-NH2 3.01Å; E615-R663 PolarHBondContact OE1-NH2 2.91Å |
| 616 | P | 85.9 | Confident | 81.7 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 175.1 | -26.6 | 35.1 | 0 | 0 | 0 | 112.8 | E612 R618 T619 Q620 | E612-P616 WeakPolarHBondContact O-CD 3.14Å; E612-P616 VanDerWaalsContact O-CG 3.28Å; E612-P616 WeakPolarHBondContact O-CG 3.44Å; P616-R618 PolarHBondContact O-N 2.87Å; P616-T619 PolarHBondContact O-N 3.32Å; P616-Q620 WeakPolarHBondContact O-CB 3.35Å; P616-Q620 PolarHBondContact O-N 3.31Å |
| 617 | L | 84.6 | Confident | 82 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | -179.7 | -70 | 174.5 | 0 | 0 | 0 | 112.4 | Y572 M575 F579 F603 F609 E615 T619 Q620 C621 | Y572-L617 HydrophobicContact CD2-CD1 3.68Å; Y572-L617 HydrophobicContact CD2-CG 4.15Å; Y572-L617 HydrophobicContact CE2-CD1 3.76Å; Y572-L617 HydrophobicContact CE2-CD2 4.02Å; Y572-L617 HydrophobicContact CE2-CG 3.68Å; M575-L617 HydrophobicContact CB-CD1 4.45Å; M575-L617 HydrophobicContact CB-CD2 4.45Å; F579-L617 HydrophobicContact CD2-CD2 4.2Å; F579-L617 HydrophobicContact CE2-CD2 3.98Å; F603-L617 HydrophobicContact CD2-CD1 4.29Å; F603-L617 HydrophobicContact CE2-CB 3.77Å; F603-L617 HydrophobicContact CE2-CD1 3.63Å; F603-L617 HydrophobicContact CE2-CG 4.37Å; F603-L617 HydrophobicContact CZ-CB 3.76Å; F603-L617 HydrophobicContact CZ-CD1 4.39Å; F609-L617 HydrophobicContact CD2-CD1 4.41Å; F609-L617 HydrophobicContact CE1-CD1 4.42Å; F609-L617 HydrophobicContact CE2-CD1 4Å; F609-L617 HydrophobicContact CZ-CD1 4.02Å; E615-L617 PolarHBondContact O-N 2.83Å; L617-T619 VanDerWaalsContact C-N 3.35Å; L617-T619 PolarHBondContact O-N 3.07Å; L617-Q620 PolarHBondContact O-N 2.94Å; L617-C621 PolarHBondContact O-N 3.17Å; L617-C621 PolarHBondContact O-SG 3.02Å |
| 618 | R | 83.6 | Confident | 82.7 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 172.6 | -77.7 | -175.2 | -71.3 | -175.7 | -5.3 | 111.9 | F603 E611 H614 E615 P616 Q620 C621 A622 L644 F645 D660 | F603-R618 HydrophobicContact CE1-CG 3.55Å; F603-R618 HydrophobicContact CZ-CG 4.16Å; E611-R618 IonicContact OE2-CZ 2.87Å; E611-R618 IonicContact OE2-NH2 2.86Å; E611-R618 PolarHBondContact OE2-NH2 3.21Å; H614-R618 VanDerWaalsContact CE1-CD 3.46Å; H614-R618 WeakPolarHBondContact CE1-CD 3.42Å; H614-R618 PolarHBondContact CE1-NE 3.07Å; H614-R618 VanDerWaalsContact ND1-CZ 3.27Å; H614-R618 PolarHBondContact ND1-NE 3.16Å; H614-R618 PolarHBondContact ND1-NH2 3.4Å; H614-R618 WeakPolarHBondContact O-CG 3.42Å; H614-R618 PolarHBondContact O-N 3.06Å; H614-R618 VanDerWaalsContact O-N 3.12Å; H614-R618 PolarHBondContact O-NE 3.2Å; E615-R618 PolarHBondContact O-N 3.11Å; P616-R618 PolarHBondContact O-N 2.87Å; R618-Q620 VanDerWaalsContact C-N 3.31Å; R618-Q620 PolarHBondContact O-N 3.34Å; R618-C621 WeakPolarHBondContact O-CB 3.09Å; R618-C621 PolarHBondContact O-N 3.05Å; R618-A622 PolarHBondContact O-N 3.28Å; R618-L644 HydrophobicContact CG-CB 4.3Å; R618-F645 HydrophobicContact CB-CE1 3.95Å; R618-F645 HydrophobicContact CB-CZ 4.04Å; R618-F645 HydrophobicContact CG-CE1 4.4Å; R618-D660 IonicContact NH1-OD2 2.9Å |
| 619 | T | 85.5 | Confident | 83.2 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.5 | -41 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | E615 P616 L617 A622 L623 | E615-T619 PolarHBondContact O-N 2.99Å; E615-T619 PolarHBondContact O-OG1 3.04Å; P616-T619 PolarHBondContact O-N 3.32Å; L617-T619 VanDerWaalsContact C-N 3.35Å; L617-T619 PolarHBondContact O-N 3.07Å; T619-A622 PolarHBondContact O-N 3.43Å; T619-L623 HydrophobicContact CG2-CD1 4.12Å; T619-L623 HydrophobicContact CG2-CG 4.44Å; T619-L623 WeakPolarHBondContact O-CB 3.3Å; T619-L623 VanDerWaalsContact O-CG 3.25Å; T619-L623 WeakPolarHBondContact O-CG 3.43Å; T619-L623 PolarHBondContact O-N 3.03Å |
| 620 | Q | 86 | Confident | 83.6 | Confident | 50 Ų | 50 | 51 Ų | 51 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.3 | -168.2 | 173.2 | 5.6 | 0 | 0 | 112.1 | F579 P616 L617 R618 A622 L623 A624 | F579-Q620 HydrophobicContact CD1-CG 4.14Å; F579-Q620 HydrophobicContact CE1-CG 4.17Å; F579-Q620 HydrophobicContact CG-CG 4.38Å; F579-Q620 HydrophobicContact CZ-CG 4.44Å; P616-Q620 WeakPolarHBondContact O-CB 3.35Å; P616-Q620 PolarHBondContact O-N 3.31Å; L617-Q620 PolarHBondContact O-N 2.94Å; R618-Q620 VanDerWaalsContact C-N 3.31Å; R618-Q620 PolarHBondContact O-N 3.34Å; Q620-A622 VanDerWaalsContact C-N 3.33Å; Q620-A622 PolarHBondContact O-N 3.36Å; Q620-L623 PolarHBondContact O-N 3.11Å; Q620-A624 VanDerWaalsContact O-CB 3.28Å; Q620-A624 WeakPolarHBondContact O-CB 3.23Å; Q620-A624 PolarHBondContact O-N 3.17Å |
| 621 | C | 86.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.3 | -48.7 | 171.5 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | F579 I600 L617 R618 L623 A624 A625 L644 | F579-C621 VanDerWaalsContact CZ-SG 3.58Å; I600-C621 HydrophobicContact CG1-CB 4.23Å; L617-C621 PolarHBondContact O-N 3.17Å; L617-C621 PolarHBondContact O-SG 3.02Å; R618-C621 WeakPolarHBondContact O-CB 3.09Å; R618-C621 PolarHBondContact O-N 3.05Å; C621-L623 VanDerWaalsContact C-N 3.34Å; C621-L623 PolarHBondContact O-N 2.93Å; C621-A624 PolarHBondContact O-N 2.69Å; C621-A625 VanDerWaalsContact O-CB 3.27Å; C621-A625 WeakPolarHBondContact O-CB 3.39Å; C621-A625 PolarHBondContact O-N 3.4Å; C621-L644 HydrophobicContact CB-CD1 3.8Å |
| 622 | A | 85.2 | Confident | 84.8 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -38.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | R618 T619 Q620 S626 | R618-A622 PolarHBondContact O-N 3.28Å; T619-A622 PolarHBondContact O-N 3.43Å; Q620-A622 VanDerWaalsContact C-N 3.33Å; Q620-A622 PolarHBondContact O-N 3.36Å; A622-S626 VanDerWaalsContact O-CB 3.31Å; A622-S626 WeakPolarHBondContact O-CB 3.46Å; A622-S626 PolarHBondContact O-N 3.49Å; A622-S626 VanDerWaalsContact O-N 3.07Å; A622-S626 PolarHBondContact O-OG 3.08Å |
| 623 | L | 87 | Confident | 85.3 | Confident | 92 Ų | 92 | 45.8 Ų | 45.8 | 48% | 0.482 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67 | -48.4 | 175.2 | -72.4 | 171.5 | 0 | 0 | 0 | 111.2 | T619 Q620 C621 A625 S626 K627 | T619-L623 HydrophobicContact CG2-CD1 4.12Å; T619-L623 HydrophobicContact CG2-CG 4.44Å; T619-L623 WeakPolarHBondContact O-CB 3.3Å; T619-L623 VanDerWaalsContact O-CG 3.25Å; T619-L623 WeakPolarHBondContact O-CG 3.43Å; T619-L623 PolarHBondContact O-N 3.03Å; Q620-L623 PolarHBondContact O-N 3.11Å; C621-L623 VanDerWaalsContact C-N 3.34Å; C621-L623 PolarHBondContact O-N 2.93Å; L623-A625 PolarHBondContact O-N 2.81Å; L623-S626 CarbonylContact O-C 3.41Å; L623-S626 WeakPolarHBondContact O-CA 3.03Å; L623-S626 WeakPolarHBondContact O-CB 3.25Å; L623-S626 PolarHBondContact O-N 2.74Å; L623-K627 WeakPolarHBondContact O-CG 3.46Å; L623-K627 PolarHBondContact O-N 2.92Å |
| 624 | A | 86.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F579 Y582 I596 Q620 C621 S626 K627 | F579-A624 HydrophobicContact CE1-CB 4.47Å; Y582-A624 HydrophobicContact CE1-CB 3.8Å; I596-A624 HydrophobicContact CD1-CB 3.74Å; Q620-A624 VanDerWaalsContact O-CB 3.28Å; Q620-A624 WeakPolarHBondContact O-CB 3.23Å; Q620-A624 PolarHBondContact O-N 3.17Å; C621-A624 PolarHBondContact O-N 2.69Å; A624-S626 PolarHBondContact O-N 3.48Å; A624-K627 PolarHBondContact O-N 3.37Å |
| 625 | A | 86.9 | Confident | 86 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -34.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C621 L623 Q634 A637 V638 | C621-A625 VanDerWaalsContact O-CB 3.27Å; C621-A625 WeakPolarHBondContact O-CB 3.39Å; C621-A625 PolarHBondContact O-N 3.4Å; L623-A625 PolarHBondContact O-N 2.81Å; A625-Q634 WeakPolarHBondContact O-CG 3.27Å; A625-A637 HydrophobicContact CB-CB 3.69Å; A625-V638 HydrophobicContact CB-CG2 4.05Å |
| 626 | S | 85.9 | Confident | 86.3 | Confident | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -80.1 | -14.8 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | A622 L623 A624 Q634 K670 | A622-S626 VanDerWaalsContact O-CB 3.31Å; A622-S626 WeakPolarHBondContact O-CB 3.46Å; A622-S626 PolarHBondContact O-N 3.49Å; A622-S626 VanDerWaalsContact O-N 3.07Å; A622-S626 PolarHBondContact O-OG 3.08Å; L623-S626 CarbonylContact O-C 3.41Å; L623-S626 WeakPolarHBondContact O-CA 3.03Å; L623-S626 WeakPolarHBondContact O-CB 3.25Å; L623-S626 PolarHBondContact O-N 2.74Å; A624-S626 PolarHBondContact O-N 3.48Å; S626-Q634 PolarHBondContact O-NE2 3.12Å; S626-K670 WeakPolarHBondContact OG-CE 3.49Å; S626-K670 PolarHBondContact OG-NZ 3.46Å |
| 627 | K | 86.4 | Confident | 86.4 | Confident | 137 Ų | 137 | 41.3 Ų | 41.3 | 60% | 0.596 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -90.2 | -6.5 | 178.5 | -74.3 | 175.3 | -176.7 | 177.3 | 0 | 113.1 | E583 L623 A624 | E583-K627 IonicContact OE1-NZ 2.73Å; E583-K627 PolarHBondContact OE1-NZ 3.18Å; L623-K627 WeakPolarHBondContact O-CG 3.46Å; L623-K627 PolarHBondContact O-N 2.92Å; A624-K627 PolarHBondContact O-N 3.37Å |
| 628 | L | 86 | Confident | 86.5 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -58.4 | 137.2 | 176.7 | -67.2 | 177.8 | 0 | 0 | 0 | 111.7 | Y582 Q592 L593 I596 D633 Q634 A637 | Y582-L628 WeakPolarHBondContact OH-CD2 3.26Å; Q592-L628 HydrophobicContact CB-CD2 3.98Å; L593-L628 HydrophobicContact CD1-CD1 4.13Å; I596-L628 HydrophobicContact CG2-CD1 4.38Å; L628-D633 HydrophobicContact CD1-CB 4.41Å; L628-Q634 HydrophobicContact CB-CB 4.04Å; L628-Q634 HydrophobicContact CB-CG 4.31Å; L628-A637 HydrophobicContact CD1-CB 3.58Å | ||
| 629 | L | 84.3 | Confident | 86.6 | Confident | 150 Ų | 150 | 41.7 Ų | 41.7 | 79% | 0.785 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -72.7 | -44.4 | -174 | -66.3 | 173.7 | 0 | 0 | 0 | 112.8 | ||
| 630 | K | 86.8 | Confident | 86.5 | Confident | 103 Ų | 103 | 40.6 Ų | 40.6 | 45% | 0.448 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -79.8 | 123.6 | -178.4 | -69.8 | -173.5 | -174.1 | 172.2 | 0 | 110.5 | S589 D633 Q634 | S589-K630 WeakPolarHBondContact OG-CD 3.46Å; K630-D633 HydrophobicContact CB-CB 4.14Å; K630-D633 WeakPolarHBondContact CB-OD2 3.44Å; K630-D633 WeakPolarHBondContact CD-OD2 3.37Å; K630-D633 PolarHBondContact O-N 2.83Å; K630-Q634 VanDerWaalsContact O-CB 3.32Å; K630-Q634 WeakPolarHBondContact O-CB 3.41Å; K630-Q634 PolarHBondContact O-N 2.99Å |
| 631 | K | 87.4 | Confident | 86.5 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.6 | -42.3 | -179.3 | -63.4 | -67.5 | 177.2 | -179.2 | 0 | 114.2 | C635 I674 Q677 | K631-C635 VanDerWaalsContact O-CB 3.29Å; K631-C635 WeakPolarHBondContact O-CB 3.28Å; K631-C635 PolarHBondContact O-N 3.37Å; K631-I674 HydrophobicContact CB-CG2 4.4Å; K631-I674 HydrophobicContact CD-CG2 4.03Å; K631-I674 WeakPolarHBondContact O-CG2 3.28Å; K631-Q677 HydrophobicContact CD-CB 4.34Å |
| 632 | P | 86.8 | Confident | 86.3 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 176 | -23.7 | 35.3 | 0 | 0 | 0 | 112.8 | C635 R636 L687 | P632-C635 WeakPolarHBondContact O-CB 3.42Å; P632-C635 PolarHBondContact O-N 3.44Å; P632-R636 WeakPolarHBondContact O-CG 3.46Å; P632-R636 PolarHBondContact O-N 3.47Å; P632-L687 HydrophobicContact CB-CD1 4.03Å; P632-L687 HydrophobicContact CB-CD2 4.39Å; P632-L687 HydrophobicContact CG-CD1 4.38Å |
| 633 | D | 86.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | -179.3 | -60.2 | -21 | 0 | 0 | 0 | 111.1 | L593 L628 K630 C635 R636 A637 | L593-D633 HydrophobicContact CB-CB 4.49Å; L593-D633 HydrophobicContact CD1-CB 4.18Å; L593-D633 HydrophobicContact CD2-CB 3.97Å; L593-D633 HydrophobicContact CG-CB 4.43Å; L628-D633 HydrophobicContact CD1-CB 4.41Å; K630-D633 HydrophobicContact CB-CB 4.14Å; K630-D633 WeakPolarHBondContact CB-OD2 3.44Å; K630-D633 WeakPolarHBondContact CD-OD2 3.37Å; K630-D633 PolarHBondContact O-N 2.83Å; D633-C635 VanDerWaalsContact C-N 3.34Å; D633-C635 PolarHBondContact O-N 3.49Å; D633-R636 PolarHBondContact O-N 2.94Å; D633-A637 WeakPolarHBondContact O-CB 3.28Å; D633-A637 PolarHBondContact O-N 3.46Å |
| 634 | Q | 88.3 | Confident | 85.7 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 9% | 0.089 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 172.4 | -163.7 | -166.4 | 17.5 | 0 | 0 | 111.4 | A625 S626 L628 K630 V638 I674 | A625-Q634 WeakPolarHBondContact O-CG 3.27Å; S626-Q634 PolarHBondContact O-NE2 3.12Å; L628-Q634 HydrophobicContact CB-CB 4.04Å; L628-Q634 HydrophobicContact CB-CG 4.31Å; K630-Q634 VanDerWaalsContact O-CB 3.32Å; K630-Q634 WeakPolarHBondContact O-CB 3.41Å; K630-Q634 PolarHBondContact O-N 2.99Å; Q634-V638 WeakPolarHBondContact O-CB 3.46Å; Q634-V638 WeakPolarHBondContact O-CG2 3.39Å; Q634-V638 PolarHBondContact O-N 3.27Å; Q634-I674 HydrophobicContact CB-CG2 4.15Å; Q634-I674 HydrophobicContact CG-CD1 4Å; Q634-I674 HydrophobicContact CG-CG2 4.32Å; Q634-I674 VanDerWaalsContact OE1-CG2 3.32Å |
| 635 | C | 88.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | K631 P632 D633 S639 A671 I674 L687 | K631-C635 VanDerWaalsContact O-CB 3.29Å; K631-C635 WeakPolarHBondContact O-CB 3.28Å; K631-C635 PolarHBondContact O-N 3.37Å; P632-C635 WeakPolarHBondContact O-CB 3.42Å; P632-C635 PolarHBondContact O-N 3.44Å; D633-C635 VanDerWaalsContact C-N 3.34Å; D633-C635 PolarHBondContact O-N 3.49Å; C635-S639 WeakPolarHBondContact O-CB 3.44Å; C635-S639 PolarHBondContact O-N 3.2Å; C635-S639 PolarHBondContact O-OG 3.29Å; C635-A671 PolarHBondContact SG-O 3.4Å; C635-I674 HydrophobicContact CB-CB 4.42Å; C635-I674 HydrophobicContact CB-CG2 3.96Å; C635-L687 HydrophobicContact CB-CD1 4.37Å; C635-L687 HydrophobicContact CB-CD2 4.26Å |
| 636 | R | 87.9 | Confident | 84.6 | Confident | 76 Ų | 76 | 34.3 Ų | 34.3 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.7 | -48.7 | 177.3 | -73.9 | 173.7 | 173.8 | 157.8 | -0.8 | 111.7 | P632 D633 V638 S639 I640 L687 E690 | P632-R636 WeakPolarHBondContact O-CG 3.46Å; P632-R636 PolarHBondContact O-N 3.47Å; D633-R636 PolarHBondContact O-N 2.94Å; R636-V638 PolarHBondContact O-N 3.24Å; R636-S639 WeakPolarHBondContact O-CB 3.49Å; R636-S639 PolarHBondContact O-N 2.93Å; R636-I640 VanDerWaalsContact O-CG1 3.29Å; R636-I640 WeakPolarHBondContact O-CG1 3.4Å; R636-I640 PolarHBondContact O-N 3.24Å; R636-L687 HydrophobicContact CG-CD2 4.05Å; R636-E690 WeakPolarHBondContact CG-OE2 3.26Å; R636-E690 IonicContact CZ-OE1 3.4Å; R636-E690 IonicContact CZ-OE2 3.48Å; R636-E690 IonicContact NE-OE1 3.75Å; R636-E690 PolarHBondContact NE-OE1 2.94Å; R636-E690 IonicContact NE-OE2 2.76Å; R636-E690 PolarHBondContact NE-OE2 3.19Å; R636-E690 IonicContact NH2-OE1 3.77Å; R636-E690 PolarHBondContact NH2-OE1 3.19Å; R636-E690 IonicContact NH2-OE2 3.05Å |
| 637 | A | 87.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L593 I596 A625 L628 D633 S639 I640 C641 | L593-A637 HydrophobicContact CD1-CB 4.04Å; I596-A637 HydrophobicContact CG2-CB 4.24Å; A625-A637 HydrophobicContact CB-CB 3.69Å; L628-A637 HydrophobicContact CD1-CB 3.58Å; D633-A637 WeakPolarHBondContact O-CB 3.28Å; D633-A637 PolarHBondContact O-N 3.46Å; A637-S639 VanDerWaalsContact C-N 3.31Å; A637-S639 PolarHBondContact O-N 2.97Å; A637-I640 PolarHBondContact O-N 3Å; A637-C641 PolarHBondContact O-N 3.15Å |
| 638 | V | 87.7 | Confident | 82.4 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | A625 Q634 R636 C641 A642 C667 K670 A671 I674 | A625-V638 HydrophobicContact CB-CG2 4.05Å; Q634-V638 WeakPolarHBondContact O-CB 3.46Å; Q634-V638 WeakPolarHBondContact O-CG2 3.39Å; Q634-V638 PolarHBondContact O-N 3.27Å; R636-V638 PolarHBondContact O-N 3.24Å; V638-C641 WeakPolarHBondContact O-CB 3.49Å; V638-C641 PolarHBondContact O-N 3.03Å; V638-A642 PolarHBondContact O-N 3.27Å; V638-C667 WeakPolarHBondContact CG1-O 3.49Å; V638-K670 HydrophobicContact CG1-CB 4.22Å; V638-K670 HydrophobicContact CG1-CD 4.34Å; V638-K670 HydrophobicContact CG1-CG 4.36Å; V638-A671 HydrophobicContact CG1-CB 4.24Å; V638-I674 HydrophobicContact CG2-CD1 4.11Å |
| 639 | S | 84.8 | Confident | 81.4 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 175.3 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | C635 R636 A637 A642 A671 | C635-S639 WeakPolarHBondContact O-CB 3.44Å; C635-S639 PolarHBondContact O-N 3.2Å; C635-S639 PolarHBondContact O-OG 3.29Å; R636-S639 WeakPolarHBondContact O-CB 3.49Å; R636-S639 PolarHBondContact O-N 2.93Å; A637-S639 VanDerWaalsContact C-N 3.31Å; A637-S639 PolarHBondContact O-N 2.97Å; S639-A642 VanDerWaalsContact O-CB 3.23Å; S639-A642 WeakPolarHBondContact O-CB 3.43Å; S639-A642 PolarHBondContact O-N 3.43Å; S639-A671 VanDerWaalsContact OG-CB 3.26Å; S639-A671 WeakPolarHBondContact OG-CB 3.45Å |
| 640 | I | 84.6 | Confident | 80.2 | Confident | 40 Ų | 40 | 23.2 Ų | 23.2 | 21% | 0.205 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 175.9 | -65.7 | 165.2 | 0 | 0 | 0 | 110.6 | T597 I600 R636 A637 A642 H643 | T597-I640 HydrophobicContact CG2-CD1 4.09Å; I600-I640 HydrophobicContact CB-CG2 4.34Å; I600-I640 HydrophobicContact CD1-CG2 4.32Å; I600-I640 HydrophobicContact CG2-CG2 3.71Å; R636-I640 VanDerWaalsContact O-CG1 3.29Å; R636-I640 WeakPolarHBondContact O-CG1 3.4Å; R636-I640 PolarHBondContact O-N 3.24Å; A637-I640 PolarHBondContact O-N 3Å; I640-A642 PolarHBondContact O-N 3.49Å; I640-A642 VanDerWaalsContact O-N 3.07Å; I640-H643 WeakPolarHBondContact O-CB 3.01Å; I640-H643 PolarHBondContact O-N 2.9Å |
| 641 | C | 85.1 | Confident | 78.9 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.4 | -22.7 | 176 | -168.7 | 0 | 0 | 0 | 0 | 113.2 | I600 A637 V638 H643 L644 F645 | I600-C641 HydrophobicContact CD1-CB 4.33Å; A637-C641 PolarHBondContact O-N 3.15Å; V638-C641 WeakPolarHBondContact O-CB 3.49Å; V638-C641 PolarHBondContact O-N 3.03Å; C641-H643 PolarHBondContact O-N 3.25Å; C641-L644 WeakPolarHBondContact O-CB 3.25Å; C641-L644 PolarHBondContact O-N 3.27Å; C641-F645 VanDerWaalsContact O-CD2 3.32Å; C641-F645 WeakPolarHBondContact O-CD2 3.33Å |
| 642 | A | 82.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V638 S639 I640 L644 F645 V664 C667 L668 F698 | V638-A642 PolarHBondContact O-N 3.27Å; S639-A642 VanDerWaalsContact O-CB 3.23Å; S639-A642 WeakPolarHBondContact O-CB 3.43Å; S639-A642 PolarHBondContact O-N 3.43Å; I640-A642 PolarHBondContact O-N 3.49Å; I640-A642 VanDerWaalsContact O-N 3.07Å; A642-L644 VanDerWaalsContact C-N 3.3Å; A642-L644 PolarHBondContact O-N 3.17Å; A642-F645 PolarHBondContact O-N 2.72Å; A642-V664 HydrophobicContact CB-CG1 4.35Å; A642-C667 HydrophobicContact CB-CB 3.86Å; A642-L668 HydrophobicContact CB-CD2 4.32Å; A642-L668 HydrophobicContact CB-CG 4.39Å; A642-F698 HydrophobicContact CB-CE2 3.87Å; A642-F698 HydrophobicContact CB-CZ 3.86Å |
| 643 | H | 80.6 | Confident | 76 | Confident | 15 Ų | 15 | 25.4 Ų | 25.4 | 7% | 0.069 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -64.2 | -33.3 | 176.5 | -70.6 | -70.3 | 0 | 0 | 0 | 112.2 | I640 C641 F645 W646 S647 F698 | I640-H643 WeakPolarHBondContact O-CB 3.01Å; I640-H643 PolarHBondContact O-N 2.9Å; C641-H643 PolarHBondContact O-N 3.25Å; H643-F645 PolarHBondContact O-N 2.88Å; H643-F645 VanDerWaalsContact O-N 3.11Å; H643-W646 PolarHBondContact O-N 3.26Å; H643-S647 PolarHBondContact O-N 2.94Å; H643-S647 PolarHBondContact O-OG 3.04Å; H643-F698 AromaticContact CE1-CE1 3.91Å; H643-F698 AromaticContact CE1-CZ 3.5Å; H643-F698 AromaticContact CG-CZ 3.87Å; H643-F698 AromaticContact ND1-CE1 3.61Å; H643-F698 AromaticContact ND1-CZ 3.42Å; H643-F698 WeakPolarHBondContact ND1-CZ 3.29Å; H643-F698 AromaticContact NE2-CZ 3.97Å |
| 644 | L | 78.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -61.9 | -23.9 | 177 | -62.9 | -177 | 0 | 0 | 0 | 113.8 | I600 F603 E604 R618 C621 C641 A642 | I600-L644 HydrophobicContact CB-CD1 4.43Å; I600-L644 HydrophobicContact CG1-CD1 4.17Å; I600-L644 HydrophobicContact CG2-CD1 3.88Å; I600-L644 HydrophobicContact CG2-CD2 3.82Å; I600-L644 HydrophobicContact CG2-CG 3.71Å; F603-L644 HydrophobicContact CD1-CD1 3.89Å; F603-L644 HydrophobicContact CD1-CD2 3.64Å; F603-L644 HydrophobicContact CD1-CG 4.31Å; F603-L644 HydrophobicContact CE1-CD1 4.41Å; F603-L644 HydrophobicContact CE1-CD2 4.41Å; E604-L644 HydrophobicContact CB-CD2 4.01Å; R618-L644 HydrophobicContact CG-CB 4.3Å; C621-L644 HydrophobicContact CB-CD1 3.8Å; C641-L644 WeakPolarHBondContact O-CB 3.25Å; C641-L644 PolarHBondContact O-N 3.27Å; A642-L644 VanDerWaalsContact C-N 3.3Å; A642-L644 PolarHBondContact O-N 3.17Å |
| 645 | F | 76.7 | Confident | 72.9 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.044 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -95.9 | 7.2 | 177.3 | -58.8 | -76.2 | 0 | 0 | 0 | 113.1 | R618 C641 A642 H643 I658 D660 R663 V664 | R618-F645 HydrophobicContact CB-CE1 3.95Å; R618-F645 HydrophobicContact CB-CZ 4.04Å; R618-F645 HydrophobicContact CG-CE1 4.4Å; C641-F645 VanDerWaalsContact O-CD2 3.32Å; C641-F645 WeakPolarHBondContact O-CD2 3.33Å; A642-F645 PolarHBondContact O-N 2.72Å; H643-F645 PolarHBondContact O-N 2.88Å; H643-F645 VanDerWaalsContact O-N 3.11Å; F645-I658 CarbonylContact C-O 3.58Å; F645-D660 PolarHBondContact O-N 3.43Å; F645-R663 HydrophobicContact CB-CB 4.09Å; F645-R663 HydrophobicContact CD1-CB 3.87Å; F645-R663 HydrophobicContact CD1-CG 4.39Å; F645-R663 HydrophobicContact CE1-CB 4.44Å; F645-R663 HydrophobicContact CG-CB 3.91Å; F645-V664 HydrophobicContact CB-CG2 3.96Å |
| 646 | W | 73.2 | Confident | 71.6 | Confident | 9 Ų | 9 | 39 Ų | 39 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -47.8 | 179.4 | -161.4 | -101.7 | 0 | 0 | 0 | 113.3 | H643 I658 R659 V664 F698 R701 N703 | H643-W646 PolarHBondContact O-N 3.26Å; W646-I658 CarbonylContact C-O 3.49Å; W646-I658 WeakPolarHBondContact CA-O 3.49Å; W646-I658 PolarHBondContact N-O 3.35Å; W646-I658 CarbonylContact O-C 3.6Å; W646-I658 VanDerWaalsContact O-O 3.13Å; W646-R659 HydrophobicContact CE3-CB 4.26Å; W646-R659 HydrophobicContact CH2-CB 3.96Å; W646-R659 HydrophobicContact CH2-CG 4.34Å; W646-R659 HydrophobicContact CZ2-CB 4.4Å; W646-R659 HydrophobicContact CZ2-CG 4.3Å; W646-R659 HydrophobicContact CZ3-CB 3.88Å; W646-V664 HydrophobicContact CB-CG2 3.94Å; W646-V664 HydrophobicContact CD2-CG2 4.43Å; W646-V664 HydrophobicContact CE3-CG2 3.88Å; W646-F698 HydrophobicContact CB-CD1 4.11Å; W646-F698 HydrophobicContact CB-CE1 3.64Å; W646-F698 AromaticContact CD1-CD1 3.85Å; W646-F698 HydrophobicContact CD2-CD1 4.33Å; W646-F698 AromaticContact CG-CD1 3.79Å; W646-F698 HydrophobicContact CG-CD1 3.79Å; W646-F698 AromaticContact CG-CE1 3.83Å; W646-F698 HydrophobicContact CG-CE1 3.83Å; W646-R701 WeakPolarHBondContact CZ2-O 3.2Å; W646-N703 VanDerWaalsContact CH2-CA 3.46Å; W646-N703 HydrophobicContact CH2-CB 3.41Å; W646-N703 VanDerWaalsContact CH2-CB 3.41Å; W646-N703 HydrophobicContact CZ2-CB 3.52Å; W646-N703 HydrophobicContact CZ3-CB 3.94Å; W646-N703 WeakPolarHBondContact CZ3-OD1 3.43Å |
| 647 | S | 65.4 | Low | 70.5 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -4.6 | -176.5 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | E604 H643 | E604-S647 WeakPolarHBondContact OE1-CB 3.35Å; E604-S647 PolarHBondContact OE1-OG 3.19Å; H643-S647 PolarHBondContact O-N 2.94Å; H643-S647 PolarHBondContact O-OG 3.04Å |
| 648 | G | 60.7 | Low | 69.4 | Low | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -62.3 | 139.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I658 | G648-I658 VanDerWaalsContact O-CG1 3.31Å; G648-I658 WeakPolarHBondContact O-CG1 3.29Å; G648-I658 PolarHBondContact O-N 3.39Å | ||
| 649 | R | 64.8 | Low | 68.5 | Low | 75 Ų | 75 | 45.4 Ų | 45.4 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -116 | 119.9 | -177.8 | -64.1 | -179.7 | -176.1 | -155.7 | -3.8 | 109.8 | R607 G655 E657 | R607-R649 HydrophobicContact CG-CB 4.18Å; R607-R649 VanDerWaalsContact NH2-NH1 3.17Å; R649-G655 WeakPolarHBondContact CD-O 3.47Å; R649-E657 HydrophobicContact CG-CG 4.37Å; R649-E657 IonicContact NH2-OE1 2.72Å; R649-E657 PolarHBondContact NH2-OE1 2.84Å |
| 650 | S | 60.6 | Low | 68 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -102.9 | 150.6 | 174.7 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | F609 E611 D652 K653 G655 | F609-S650 PolarHBondContact O-OG 3.38Å; E611-S650 PolarHBondContact N-OG 2.95Å; S650-D652 VanDerWaalsContact C-N 3.31Å; S650-D652 PolarHBondContact O-N 3.42Å; S650-K653 PolarHBondContact O-N 2.91Å; S650-G655 PolarHBondContact O-N 3.49Å | ||
| 651 | T | 57.4 | Low | 67.4 | Low | 56 Ų | 56 | 46.5 Ų | 46.5 | 34% | 0.344 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62.3 | -35.3 | 176.2 | 47 | 0 | 0 | 0 | 0 | 112.6 | R607 F609 S610 K653 N654 | R607-T651 WeakPolarHBondContact O-CG2 3.48Å; F609-T651 PolarHBondContact O-N 2.97Å; F609-T651 PolarHBondContact O-OG1 3.4Å; S610-T651 WeakPolarHBondContact CA-OG1 3.4Å; S610-T651 PolarHBondContact N-OG1 3.38Å; T651-K653 PolarHBondContact O-N 3.2Å; T651-K653 VanDerWaalsContact O-N 3.16Å; T651-N654 PolarHBondContact O-N 2.87Å; T651-N654 VanDerWaalsContact O-N 3.11Å |
| 652 | D | 56.6 | Low | 67.2 | Low | 106 Ų | 106 | 54.8 Ų | 54.8 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -67.1 | -16.8 | -176.6 | -67.5 | -38.6 | 0 | 0 | 0 | 113.6 | E611 S650 | E611-D652 HydrophobicContact CG-CB 4.36Å; E611-D652 PolarHBondContact N-OD2 3.46Å; S650-D652 VanDerWaalsContact C-N 3.31Å; S650-D652 PolarHBondContact O-N 3.42Å |
| 653 | K | 57.2 | Low | 67 | Low | 85 Ų | 85 | 58.7 Ų | 58.7 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -109.5 | 27.9 | 175.1 | -63.7 | -176.7 | 179.9 | 170.6 | 0 | 113 | S650 T651 G655 E656 | S650-K653 PolarHBondContact O-N 2.91Å; T651-K653 PolarHBondContact O-N 3.2Å; T651-K653 VanDerWaalsContact O-N 3.16Å; K653-G655 PolarHBondContact O-N 2.99Å; K653-E656 HydrophobicContact CB-CB 4.21Å; K653-E656 WeakPolarHBondContact O-CB 3.3Å; K653-E656 WeakPolarHBondContact O-CG 3.31Å; K653-E656 PolarHBondContact O-N 3.28Å |
| 654 | N | 53.8 | Low | 67.1 | Low | 163 Ų | 163 | 58 Ų | 58 | 87% | 0.872 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 27 | -178.5 | -67.9 | -26.7 | 0 | 0 | 0 | 114.2 | T651 | T651-N654 PolarHBondContact O-N 2.87Å; T651-N654 VanDerWaalsContact O-N 3.11Å |
| 655 | G | 56.5 | Low | 67.2 | Low | 25 Ų | 25 | 58.7 Ų | 58.7 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 13.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R649 S650 K653 | R649-G655 WeakPolarHBondContact CD-O 3.47Å; S650-G655 PolarHBondContact O-N 3.49Å; K653-G655 PolarHBondContact O-N 2.99Å |
| 656 | E | 60.4 | Low | 67.5 | Low | 138 Ų | 138 | 64.4 Ų | 64.4 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | trans | -69.2 | 150.1 | 168.6 | -68 | -176.6 | 173.6 | 0 | 0 | 111.8 | K653 | K653-E656 HydrophobicContact CB-CB 4.21Å; K653-E656 WeakPolarHBondContact O-CB 3.3Å; K653-E656 WeakPolarHBondContact O-CG 3.31Å; K653-E656 PolarHBondContact O-N 3.28Å | ||
| 657 | E | 65 | Low | 68 | Low | 69 Ų | 69 | 64.7 Ų | 64.7 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 132 | -178.9 | -65.8 | 178.1 | 173.7 | 0 | 0 | 110.6 | R649 R659 | R649-E657 HydrophobicContact CG-CG 4.37Å; R649-E657 IonicContact NH2-OE1 2.72Å; R649-E657 PolarHBondContact NH2-OE1 2.84Å; E657-R659 VanDerWaalsContact C-N 3.35Å; E657-R659 PolarHBondContact O-N 3.48Å |
| 658 | I | 65.4 | Low | 68.9 | Low | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -73.7 | 90 | 177.8 | -59.8 | 163 | 0 | 0 | 0 | 108 | H614 F645 W646 G648 D660 | H614-I658 WeakPolarHBondContact CE1-CD1 3.47Å; F645-I658 CarbonylContact C-O 3.58Å; W646-I658 CarbonylContact C-O 3.49Å; W646-I658 WeakPolarHBondContact CA-O 3.49Å; W646-I658 PolarHBondContact N-O 3.35Å; W646-I658 CarbonylContact O-C 3.6Å; W646-I658 VanDerWaalsContact O-O 3.13Å; G648-I658 VanDerWaalsContact O-CG1 3.31Å; G648-I658 WeakPolarHBondContact O-CG1 3.29Å; G648-I658 PolarHBondContact O-N 3.39Å; I658-D660 VanDerWaalsContact C-N 3.29Å; I658-D660 HydrophobicContact CG2-CB 4.32Å; I658-D660 VanDerWaalsContact CG2-OD2 3.3Å; I658-D660 WeakPolarHBondContact CG2-OD2 3.12Å; I658-D660 PolarHBondContact O-N 2.9Å | ||
| 659 | R | 68.4 | Low | 70.2 | Confident | 146 Ų | 146 | 69.9 Ų | 69.9 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | trans | -80.4 | 63.3 | 179.6 | -64.6 | -178.1 | 179.9 | -167.4 | -1.4 | 112.8 | W646 E657 G661 | W646-R659 HydrophobicContact CE3-CB 4.26Å; W646-R659 HydrophobicContact CH2-CB 3.96Å; W646-R659 HydrophobicContact CH2-CG 4.34Å; W646-R659 HydrophobicContact CZ2-CB 4.4Å; W646-R659 HydrophobicContact CZ2-CG 4.3Å; W646-R659 HydrophobicContact CZ3-CB 3.88Å; E657-R659 VanDerWaalsContact C-N 3.35Å; E657-R659 PolarHBondContact O-N 3.48Å; R659-G661 PolarHBondContact O-N 3.37Å | ||
| 660 | D | 74.9 | Confident | 71.2 | Confident | 58 Ų | 58 | 70.5 Ų | 70.5 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | trans | -89.1 | 75.5 | 179.8 | -77.4 | -26 | 0 | 0 | 0 | 112.6 | R618 F645 I658 K662 R663 V664 | R618-D660 IonicContact NH1-OD2 2.9Å; F645-D660 PolarHBondContact O-N 3.43Å; I658-D660 VanDerWaalsContact C-N 3.29Å; I658-D660 HydrophobicContact CG2-CB 4.32Å; I658-D660 VanDerWaalsContact CG2-OD2 3.3Å; I658-D660 WeakPolarHBondContact CG2-OD2 3.12Å; I658-D660 PolarHBondContact O-N 2.9Å; D660-K662 PolarHBondContact O-N 2.89Å; D660-K662 VanDerWaalsContact O-N 3.09Å; D660-R663 HydrophobicContact CB-CB 4.47Å; D660-R663 PolarHBondContact O-N 3.1Å; D660-R663 VanDerWaalsContact O-N 3.14Å; D660-V664 WeakPolarHBondContact O-CG2 3.42Å; D660-V664 PolarHBondContact O-N 3.38Å | ||
| 661 | G | 72 | Confident | 72.5 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.1 | -30 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R659 M665 N703 A705 | R659-G661 PolarHBondContact O-N 3.37Å; G661-M665 WeakPolarHBondContact O-CG 3.36Å; G661-M665 PolarHBondContact O-N 3.09Å; G661-M665 VanDerWaalsContact O-N 3.08Å; G661-N703 VanDerWaalsContact CA-OD1 3.31Å; G661-N703 WeakPolarHBondContact CA-OD1 3.43Å; G661-A705 WeakPolarHBondContact O-CB 3.21Å |
| 662 | K | 80 | Confident | 73.9 | Confident | 176 Ų | 176 | 69.7 Ų | 69.7 | 77% | 0.765 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66 | -45.7 | 177.4 | -68.1 | -179.2 | -178 | 173.9 | 0 | 112.4 | D660 M665 E666 | D660-K662 PolarHBondContact O-N 2.89Å; D660-K662 VanDerWaalsContact O-N 3.09Å; K662-M665 PolarHBondContact O-N 3.24Å; K662-E666 WeakPolarHBondContact O-CG 3.42Å; K662-E666 PolarHBondContact O-N 3.09Å |
| 663 | R | 79.2 | Confident | 75.4 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.4 | -36.8 | 179.9 | -72.4 | -173.3 | 174.6 | -176 | -2.2 | 111.1 | E615 F645 D660 M665 E666 C667 | E615-R663 IonicContact OE1-CZ 2.73Å; E615-R663 IonicContact OE1-NH1 3.23Å; E615-R663 PolarHBondContact OE1-NH1 3.38Å; E615-R663 IonicContact OE1-NH2 3.01Å; E615-R663 PolarHBondContact OE1-NH2 2.91Å; F645-R663 HydrophobicContact CB-CB 4.09Å; F645-R663 HydrophobicContact CD1-CB 3.87Å; F645-R663 HydrophobicContact CD1-CG 4.39Å; F645-R663 HydrophobicContact CE1-CB 4.44Å; F645-R663 HydrophobicContact CG-CB 3.91Å; D660-R663 HydrophobicContact CB-CB 4.47Å; D660-R663 PolarHBondContact O-N 3.1Å; D660-R663 VanDerWaalsContact O-N 3.14Å; R663-M665 VanDerWaalsContact C-N 3.33Å; R663-M665 PolarHBondContact O-N 3.24Å; R663-E666 WeakPolarHBondContact O-CB 3.49Å; R663-E666 PolarHBondContact O-N 3.42Å; R663-E666 VanDerWaalsContact O-N 3.16Å; R663-C667 PolarHBondContact O-N 2.96Å; R663-C667 PolarHBondContact O-SG 3.49Å |
| 664 | V | 81.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 171 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | A642 F645 W646 D660 E666 C667 L668 F698 | A642-V664 HydrophobicContact CB-CG1 4.35Å; F645-V664 HydrophobicContact CB-CG2 3.96Å; W646-V664 HydrophobicContact CB-CG2 3.94Å; W646-V664 HydrophobicContact CD2-CG2 4.43Å; W646-V664 HydrophobicContact CE3-CG2 3.88Å; D660-V664 WeakPolarHBondContact O-CG2 3.42Å; D660-V664 PolarHBondContact O-N 3.38Å; V664-E666 VanDerWaalsContact C-N 3.33Å; V664-E666 PolarHBondContact O-N 2.78Å; V664-C667 PolarHBondContact O-N 2.95Å; V664-L668 HydrophobicContact CG1-CD1 3.91Å; V664-L668 HydrophobicContact CG1-CG 4.45Å; V664-L668 WeakPolarHBondContact O-CG 3.4Å; V664-L668 PolarHBondContact O-N 3.46Å; V664-F698 HydrophobicContact CG1-CD1 4.09Å; V664-F698 HydrophobicContact CG1-CD2 3.88Å; V664-F698 HydrophobicContact CG1-CE1 4.21Å; V664-F698 HydrophobicContact CG1-CE2 4Å; V664-F698 HydrophobicContact CG1-CG 3.93Å; V664-F698 HydrophobicContact CG1-CZ 4.17Å |
| 665 | M | 81.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 177.2 | -76.2 | -61.3 | -72.6 | 0 | 0 | 113.3 | G661 K662 R663 K669 Y695 A705 V706 V710 | G661-M665 WeakPolarHBondContact O-CG 3.36Å; G661-M665 PolarHBondContact O-N 3.09Å; G661-M665 VanDerWaalsContact O-N 3.08Å; K662-M665 PolarHBondContact O-N 3.24Å; R663-M665 VanDerWaalsContact C-N 3.33Å; R663-M665 PolarHBondContact O-N 3.24Å; M665-K669 VanDerWaalsContact O-CB 3.24Å; M665-K669 WeakPolarHBondContact O-CB 3.41Å; M665-K669 WeakPolarHBondContact O-CG 3.41Å; M665-K669 PolarHBondContact O-N 3.31Å; M665-Y695 HydrophobicContact CE-CE1 4.22Å; M665-Y695 HydrophobicContact SD-CD1 4.48Å; M665-Y695 HydrophobicContact SD-CE1 3.81Å; M665-A705 HydrophobicContact CG-CB 3.66Å; M665-A705 WeakPolarHBondContact CG-O 3.44Å; M665-V706 HydrophobicContact SD-CB 4.39Å; M665-V706 HydrophobicContact SD-CG2 3.67Å; M665-V710 HydrophobicContact CE-CG2 4.31Å |
| 666 | E | 83.8 | Confident | 79.8 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 61% | 0.607 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 173.9 | -73.2 | 173.5 | -174.8 | 0 | 0 | 111.9 | K662 R663 V664 K670 | K662-E666 WeakPolarHBondContact O-CG 3.42Å; K662-E666 PolarHBondContact O-N 3.09Å; R663-E666 WeakPolarHBondContact O-CB 3.49Å; R663-E666 PolarHBondContact O-N 3.42Å; R663-E666 VanDerWaalsContact O-N 3.16Å; V664-E666 VanDerWaalsContact C-N 3.33Å; V664-E666 PolarHBondContact O-N 2.78Å; E666-K670 VanDerWaalsContact O-CB 3.28Å; E666-K670 WeakPolarHBondContact O-CB 3.23Å; E666-K670 PolarHBondContact O-N 3.09Å |
| 667 | C | 84.1 | Confident | 81.1 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 10% | 0.101 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 175.2 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | V638 A642 R663 V664 K670 A671 | V638-C667 WeakPolarHBondContact CG1-O 3.49Å; A642-C667 HydrophobicContact CB-CB 3.86Å; R663-C667 PolarHBondContact O-N 2.96Å; R663-C667 PolarHBondContact O-SG 3.49Å; V664-C667 PolarHBondContact O-N 2.95Å; C667-K670 WeakPolarHBondContact O-CB 3.29Å; C667-K670 PolarHBondContact O-N 2.9Å; C667-A671 PolarHBondContact O-N 3.09Å |
| 668 | L | 84.3 | Confident | 82 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.8 | -37.7 | -179.5 | -64.2 | 172.5 | 0 | 0 | 0 | 112.5 | A642 V664 K670 A671 L672 R694 Y695 F698 | A642-L668 HydrophobicContact CB-CD2 4.32Å; A642-L668 HydrophobicContact CB-CG 4.39Å; V664-L668 HydrophobicContact CG1-CD1 3.91Å; V664-L668 HydrophobicContact CG1-CG 4.45Å; V664-L668 WeakPolarHBondContact O-CG 3.4Å; V664-L668 PolarHBondContact O-N 3.46Å; L668-K670 VanDerWaalsContact C-N 3.3Å; L668-K670 PolarHBondContact O-N 3.08Å; L668-A671 PolarHBondContact O-N 3.2Å; L668-L672 WeakPolarHBondContact O-CB 3.47Å; L668-L672 PolarHBondContact O-N 3.22Å; L668-R694 HydrophobicContact CD2-CB 4.26Å; L668-Y695 HydrophobicContact CB-CE1 3.72Å; L668-Y695 HydrophobicContact CB-CE2 4.03Å; L668-Y695 VanDerWaalsContact CB-CZ 3.42Å; L668-Y695 VanDerWaalsContact CB-OH 3.29Å; L668-Y695 WeakPolarHBondContact CB-OH 3.21Å; L668-Y695 HydrophobicContact CD1-CD1 3.55Å; L668-Y695 HydrophobicContact CD1-CE1 3.47Å; L668-Y695 VanDerWaalsContact CD1-CE1 3.47Å; L668-Y695 HydrophobicContact CD1-CG 4.13Å; L668-Y695 HydrophobicContact CG-CE1 4.21Å; L668-F698 HydrophobicContact CD1-CD2 3.82Å; L668-F698 HydrophobicContact CD1-CE2 4.23Å; L668-F698 HydrophobicContact CD2-CE2 4.34Å |
| 669 | K | 86.4 | Confident | 82.7 | Confident | 116 Ų | 116 | 66.8 Ų | 66.8 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 170.9 | -77.5 | 173.5 | 179.2 | 173.1 | 0 | 111.5 | M665 L672 K673 | M665-K669 VanDerWaalsContact O-CB 3.24Å; M665-K669 WeakPolarHBondContact O-CB 3.41Å; M665-K669 WeakPolarHBondContact O-CG 3.41Å; M665-K669 PolarHBondContact O-N 3.31Å; K669-L672 PolarHBondContact O-N 2.95Å; K669-K673 WeakPolarHBondContact O-CG 3.32Å; K669-K673 PolarHBondContact O-N 3.47Å |
| 670 | K | 86.8 | Confident | 83.4 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 175.7 | -169.6 | 178.2 | -172.9 | -179.3 | 0 | 111.2 | S626 V638 E666 C667 L668 L672 K673 I674 | S626-K670 WeakPolarHBondContact OG-CE 3.49Å; S626-K670 PolarHBondContact OG-NZ 3.46Å; V638-K670 HydrophobicContact CG1-CB 4.22Å; V638-K670 HydrophobicContact CG1-CD 4.34Å; V638-K670 HydrophobicContact CG1-CG 4.36Å; E666-K670 VanDerWaalsContact O-CB 3.28Å; E666-K670 WeakPolarHBondContact O-CB 3.23Å; E666-K670 PolarHBondContact O-N 3.09Å; C667-K670 WeakPolarHBondContact O-CB 3.29Å; C667-K670 PolarHBondContact O-N 2.9Å; L668-K670 VanDerWaalsContact C-N 3.3Å; L668-K670 PolarHBondContact O-N 3.08Å; K670-L672 VanDerWaalsContact C-N 3.33Å; K670-L672 PolarHBondContact O-N 3.27Å; K670-K673 WeakPolarHBondContact O-CB 3.37Å; K670-K673 PolarHBondContact O-N 2.88Å; K670-I674 HydrophobicContact CG-CD1 4.16Å; K670-I674 VanDerWaalsContact O-CG1 3.29Å; K670-I674 WeakPolarHBondContact O-CG1 3.35Å; K670-I674 PolarHBondContact O-N 3.42Å |
| 671 | A | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C635 V638 S639 C667 L668 K673 I674 A675 I691 | C635-A671 PolarHBondContact SG-O 3.4Å; V638-A671 HydrophobicContact CG1-CB 4.24Å; S639-A671 VanDerWaalsContact OG-CB 3.26Å; S639-A671 WeakPolarHBondContact OG-CB 3.45Å; C667-A671 PolarHBondContact O-N 3.09Å; L668-A671 PolarHBondContact O-N 3.2Å; A671-K673 PolarHBondContact O-N 3.14Å; A671-I674 PolarHBondContact O-N 3.41Å; A671-A675 PolarHBondContact O-N 2.93Å; A671-I691 HydrophobicContact CB-CD1 4.28Å; A671-I691 HydrophobicContact CB-CG1 4.45Å |
| 672 | L | 86.3 | Confident | 84.3 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.3 | -169.7 | 68.8 | 0 | 0 | 0 | 112.5 | L668 K669 K670 I674 A675 N676 F688 I691 L714 | L668-L672 WeakPolarHBondContact O-CB 3.47Å; L668-L672 PolarHBondContact O-N 3.22Å; K669-L672 PolarHBondContact O-N 2.95Å; K670-L672 VanDerWaalsContact C-N 3.33Å; K670-L672 PolarHBondContact O-N 3.27Å; L672-I674 VanDerWaalsContact C-N 3.3Å; L672-I674 PolarHBondContact O-N 3.21Å; L672-A675 PolarHBondContact O-N 3.47Å; L672-N676 PolarHBondContact O-N 3.04Å; L672-N676 PolarHBondContact O-ND2 3.45Å; L672-F688 HydrophobicContact CD1-CD1 3.69Å; L672-F688 HydrophobicContact CD1-CE1 3.72Å; L672-I691 HydrophobicContact CD1-CD1 4.37Å; L672-L714 HydrophobicContact CD1-CD1 3.92Å; L672-L714 HydrophobicContact CD1-CD2 4.39Å; L672-L714 HydrophobicContact CD1-CG 4.31Å; L672-L714 HydrophobicContact CD2-CD1 4.04Å |
| 673 | K | 88.3 | Confident | 84.5 | Confident | 142 Ų | 142 | 57.7 Ų | 57.7 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.9 | -37.8 | 173.7 | -73.3 | 175.3 | -175.2 | -178.7 | 0 | 112.1 | K669 K670 A671 N676 Q677 | K669-K673 WeakPolarHBondContact O-CG 3.32Å; K669-K673 PolarHBondContact O-N 3.47Å; K670-K673 WeakPolarHBondContact O-CB 3.37Å; K670-K673 PolarHBondContact O-N 2.88Å; A671-K673 PolarHBondContact O-N 3.14Å; K673-N676 PolarHBondContact O-N 2.99Å; K673-Q677 WeakPolarHBondContact O-CG 3.31Å; K673-Q677 PolarHBondContact O-N 3.27Å |
| 674 | I | 87.1 | Confident | 84.8 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 178.7 | -64.5 | 163.9 | 0 | 0 | 0 | 110.7 | K631 Q634 C635 V638 K670 A671 L672 N676 Q677 C678 | K631-I674 HydrophobicContact CB-CG2 4.4Å; K631-I674 HydrophobicContact CD-CG2 4.03Å; K631-I674 WeakPolarHBondContact O-CG2 3.28Å; Q634-I674 HydrophobicContact CB-CG2 4.15Å; Q634-I674 HydrophobicContact CG-CD1 4Å; Q634-I674 HydrophobicContact CG-CG2 4.32Å; Q634-I674 VanDerWaalsContact OE1-CG2 3.32Å; C635-I674 HydrophobicContact CB-CB 4.42Å; C635-I674 HydrophobicContact CB-CG2 3.96Å; V638-I674 HydrophobicContact CG2-CD1 4.11Å; K670-I674 HydrophobicContact CG-CD1 4.16Å; K670-I674 VanDerWaalsContact O-CG1 3.29Å; K670-I674 WeakPolarHBondContact O-CG1 3.35Å; K670-I674 PolarHBondContact O-N 3.42Å; A671-I674 PolarHBondContact O-N 3.41Å; L672-I674 VanDerWaalsContact C-N 3.3Å; L672-I674 PolarHBondContact O-N 3.21Å; I674-N676 VanDerWaalsContact C-N 3.28Å; I674-N676 PolarHBondContact O-N 3.5Å; I674-Q677 WeakPolarHBondContact O-CA 3.4Å; I674-Q677 WeakPolarHBondContact O-CB 3.25Å; I674-Q677 PolarHBondContact O-N 3.3Å; I674-C678 PolarHBondContact O-N 3.49Å |
| 675 | A | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A671 L672 Q677 C678 Q684 L687 F688 I691 | A671-A675 PolarHBondContact O-N 2.93Å; L672-A675 PolarHBondContact O-N 3.47Å; A675-Q677 PolarHBondContact O-N 2.9Å; A675-C678 VanDerWaalsContact O-CB 3.22Å; A675-C678 WeakPolarHBondContact O-CB 3.43Å; A675-C678 PolarHBondContact O-N 3.29Å; A675-C678 VanDerWaalsContact O-N 3.09Å; A675-Q684 PolarHBondContact O-NE2 3.05Å; A675-L687 HydrophobicContact CB-CB 4.17Å; A675-F688 HydrophobicContact CB-CD1 3.92Å; A675-F688 HydrophobicContact CB-CE1 3.59Å; A675-F688 HydrophobicContact CB-CZ 4.48Å; A675-I691 HydrophobicContact CB-CD1 3.88Å |
| 676 | N | 86.4 | Confident | 85.2 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -23.8 | 172.8 | -75.2 | -53.9 | 0 | 0 | 0 | 114 | L672 K673 I674 C678 Q684 F688 K717 | L672-N676 PolarHBondContact O-N 3.04Å; L672-N676 PolarHBondContact O-ND2 3.45Å; K673-N676 PolarHBondContact O-N 2.99Å; I674-N676 VanDerWaalsContact C-N 3.28Å; I674-N676 PolarHBondContact O-N 3.5Å; N676-C678 VanDerWaalsContact C-N 3.3Å; N676-Q684 PolarHBondContact O-NE2 3.5Å; N676-F688 WeakPolarHBondContact OD1-CZ 3.42Å; N676-K717 PolarHBondContact OD1-NZ 2.91Å |
| 677 | Q | 86.8 | Confident | 85.4 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.6 | 176.5 | -66.6 | 170.8 | 3.3 | 0 | 0 | 112.6 | K631 K673 I674 A675 | K631-Q677 HydrophobicContact CD-CB 4.34Å; K673-Q677 WeakPolarHBondContact O-CG 3.31Å; K673-Q677 PolarHBondContact O-N 3.27Å; I674-Q677 WeakPolarHBondContact O-CA 3.4Å; I674-Q677 WeakPolarHBondContact O-CB 3.25Å; I674-Q677 PolarHBondContact O-N 3.3Å; A675-Q677 PolarHBondContact O-N 2.9Å |
| 678 | C | 84.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | trans | -74.6 | 127.8 | 173.8 | -163 | 0 | 0 | 0 | 0 | 109.4 | I674 A675 N676 Q684 | I674-C678 PolarHBondContact O-N 3.49Å; A675-C678 VanDerWaalsContact O-CB 3.22Å; A675-C678 WeakPolarHBondContact O-CB 3.43Å; A675-C678 PolarHBondContact O-N 3.29Å; A675-C678 VanDerWaalsContact O-N 3.09Å; N676-C678 VanDerWaalsContact C-N 3.3Å; C678-Q684 HydrophobicContact CB-CB 4.24Å; C678-Q684 PolarHBondContact O-NE2 3.24Å | ||
| 679 | M | 79.3 | Confident | 85.6 | Confident | 185 Ų | 185 | 50.6 Ų | 50.6 | 91% | 0.911 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -80.2 | -28.7 | -177.4 | -64.5 | -63.5 | -65.4 | 0 | 0 | 112.7 | S681 | M679-S681 PolarHBondContact O-N 2.81Š|
| 680 | D | 83.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | trans | -81 | 115.7 | 177.6 | -177.7 | -9.2 | 0 | 0 | 0 | 109.5 | S682 L683 Q684 | D680-S682 VanDerWaalsContact C-N 3.34Å; D680-S682 PolarHBondContact O-N 2.93Å; D680-S682 PolarHBondContact OD1-N 3.28Å; D680-L683 HydrophobicContact CB-CB 4.19Å; D680-L683 HydrophobicContact CB-CD1 4.17Å; D680-L683 HydrophobicContact CB-CG 4.41Å; D680-L683 WeakPolarHBondContact OD2-CD1 3.44Å; D680-L683 WeakPolarHBondContact OD2-CG 3.45Å; D680-Q684 WeakPolarHBondContact O-CB 3.47Å; D680-Q684 PolarHBondContact O-N 3.14Å | ||
| 681 | S | 82.1 | Confident | 85.6 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.6 | -34.1 | -176.4 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | M679 Q684 V685 L725 | M679-S681 PolarHBondContact O-N 2.81Å; S681-Q684 PolarHBondContact O-N 3.3Å; S681-V685 WeakPolarHBondContact O-CG2 3.49Å; S681-V685 PolarHBondContact O-N 3.05Å; S681-L725 VanDerWaalsContact C-CD2 3.48Å; S681-L725 VanDerWaalsContact OG-CD2 3.23Å; S681-L725 WeakPolarHBondContact OG-CD2 3.42Å |
| 682 | S | 83.7 | Confident | 85.5 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -52.1 | 179 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | D680 Q684 V685 Q686 I734 | D680-S682 VanDerWaalsContact C-N 3.34Å; D680-S682 PolarHBondContact O-N 2.93Å; D680-S682 PolarHBondContact OD1-N 3.28Å; S682-Q684 VanDerWaalsContact C-N 3.29Å; S682-Q684 PolarHBondContact O-N 2.76Å; S682-V685 PolarHBondContact O-N 3.5Å; S682-Q686 PolarHBondContact O-N 2.99Å; S682-I734 VanDerWaalsContact OG-CD1 3.26Å; S682-I734 WeakPolarHBondContact OG-CD1 3.42Å |
| 683 | L | 84.7 | Confident | 85.4 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 31% | 0.314 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -34.9 | 175.5 | -70.7 | 175.1 | 0 | 0 | 0 | 112.3 | D680 Q686 L687 | D680-L683 HydrophobicContact CB-CB 4.19Å; D680-L683 HydrophobicContact CB-CD1 4.17Å; D680-L683 HydrophobicContact CB-CG 4.41Å; D680-L683 WeakPolarHBondContact OD2-CD1 3.44Å; D680-L683 WeakPolarHBondContact OD2-CG 3.45Å; L683-Q686 PolarHBondContact O-N 3.34Å; L683-L687 WeakPolarHBondContact O-CB 3.28Å; L683-L687 WeakPolarHBondContact O-CG 3.4Å; L683-L687 PolarHBondContact O-N 3.42Å |
| 684 | Q | 85.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 176 | 173.3 | 172.3 | 71.6 | 0 | 0 | 112 | A675 N676 C678 D680 S681 S682 Q686 L687 F688 | A675-Q684 PolarHBondContact O-NE2 3.05Å; N676-Q684 PolarHBondContact O-NE2 3.5Å; C678-Q684 HydrophobicContact CB-CB 4.24Å; C678-Q684 PolarHBondContact O-NE2 3.24Å; D680-Q684 WeakPolarHBondContact O-CB 3.47Å; D680-Q684 PolarHBondContact O-N 3.14Å; S681-Q684 PolarHBondContact O-N 3.3Å; S682-Q684 VanDerWaalsContact C-N 3.29Å; S682-Q684 PolarHBondContact O-N 2.76Å; Q684-Q686 VanDerWaalsContact C-N 3.35Å; Q684-L687 PolarHBondContact O-N 3.28Å; Q684-F688 HydrophobicContact CG-CD2 4.12Å; Q684-F688 HydrophobicContact CG-CE1 4.46Å; Q684-F688 HydrophobicContact CG-CE2 3.43Å; Q684-F688 VanDerWaalsContact CG-CE2 3.43Å; Q684-F688 HydrophobicContact CG-CZ 3.61Å; Q684-F688 WeakPolarHBondContact O-CD2 3.06Å; Q684-F688 WeakPolarHBondContact O-CG 3.26Å; Q684-F688 PolarHBondContact O-N 3.4Å |
| 685 | V | 84.8 | Confident | 85 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 177 | 173 | 0 | 0 | 0 | 0 | 110.7 | S681 S682 L687 F688 I689 I718 D721 L722 L725 I734 | S681-V685 WeakPolarHBondContact O-CG2 3.49Å; S681-V685 PolarHBondContact O-N 3.05Å; S682-V685 PolarHBondContact O-N 3.5Å; V685-L687 PolarHBondContact O-N 2.88Å; V685-F688 PolarHBondContact O-N 3.47Å; V685-I689 HydrophobicContact CG1-CD1 4.16Å; V685-I689 WeakPolarHBondContact O-CG1 3.46Å; V685-I689 PolarHBondContact O-N 2.82Å; V685-I718 HydrophobicContact CG1-CG2 4.27Å; V685-D721 HydrophobicContact CG2-CB 3.9Å; V685-L722 HydrophobicContact CG1-CB 4.47Å; V685-L722 HydrophobicContact CG1-CD1 4.47Å; V685-L725 HydrophobicContact CB-CD1 4.15Å; V685-L725 HydrophobicContact CG1-CD1 4.34Å; V685-L725 HydrophobicContact CG2-CD1 4.06Å; V685-L725 HydrophobicContact CG2-CD2 4.36Å; V685-I734 HydrophobicContact CG1-CG2 3.95Å |
| 686 | Q | 86.5 | Confident | 84.7 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 27% | 0.271 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.5 | -175.4 | 178.8 | -1.4 | 0 | 0 | 112.1 | S682 L683 Q684 F688 I689 E690 I734 | S682-Q686 PolarHBondContact O-N 2.99Å; L683-Q686 PolarHBondContact O-N 3.34Å; Q684-Q686 VanDerWaalsContact C-N 3.35Å; Q686-F688 VanDerWaalsContact C-N 3.34Å; Q686-F688 PolarHBondContact O-N 2.85Å; Q686-I689 PolarHBondContact O-N 3.28Å; Q686-E690 PolarHBondContact O-N 2.84Å; Q686-I734 HydrophobicContact CB-CD1 4.18Å; Q686-I734 HydrophobicContact CB-CG1 4.32Å |
| 687 | L | 86.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -36.5 | 177.2 | -70.1 | 168.6 | 0 | 0 | 0 | 112.3 | P632 C635 R636 A675 L683 Q684 V685 I689 E690 I691 | P632-L687 HydrophobicContact CB-CD1 4.03Å; P632-L687 HydrophobicContact CB-CD2 4.39Å; P632-L687 HydrophobicContact CG-CD1 4.38Å; C635-L687 HydrophobicContact CB-CD1 4.37Å; C635-L687 HydrophobicContact CB-CD2 4.26Å; R636-L687 HydrophobicContact CG-CD2 4.05Å; A675-L687 HydrophobicContact CB-CB 4.17Å; L683-L687 WeakPolarHBondContact O-CB 3.28Å; L683-L687 WeakPolarHBondContact O-CG 3.4Å; L683-L687 PolarHBondContact O-N 3.42Å; Q684-L687 PolarHBondContact O-N 3.28Å; V685-L687 PolarHBondContact O-N 2.88Å; L687-I689 VanDerWaalsContact C-N 3.33Å; L687-E690 PolarHBondContact O-N 3.48Å; L687-I691 WeakPolarHBondContact O-CB 3.34Å; L687-I691 WeakPolarHBondContact O-CG1 3.03Å; L687-I691 PolarHBondContact O-N 3.36Å |
| 688 | F | 86.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 174.2 | -67.8 | -35 | 0 | 0 | 0 | 112.1 | L672 A675 N676 Q684 V685 Q686 I691 L692 L714 I718 | L672-F688 HydrophobicContact CD1-CD1 3.69Å; L672-F688 HydrophobicContact CD1-CE1 3.72Å; A675-F688 HydrophobicContact CB-CD1 3.92Å; A675-F688 HydrophobicContact CB-CE1 3.59Å; A675-F688 HydrophobicContact CB-CZ 4.48Å; N676-F688 WeakPolarHBondContact OD1-CZ 3.42Å; Q684-F688 HydrophobicContact CG-CD2 4.12Å; Q684-F688 HydrophobicContact CG-CE1 4.46Å; Q684-F688 HydrophobicContact CG-CE2 3.43Å; Q684-F688 VanDerWaalsContact CG-CE2 3.43Å; Q684-F688 HydrophobicContact CG-CZ 3.61Å; Q684-F688 WeakPolarHBondContact O-CD2 3.06Å; Q684-F688 WeakPolarHBondContact O-CG 3.26Å; Q684-F688 PolarHBondContact O-N 3.4Å; V685-F688 PolarHBondContact O-N 3.47Å; Q686-F688 VanDerWaalsContact C-N 3.34Å; Q686-F688 PolarHBondContact O-N 2.85Å; F688-I691 PolarHBondContact O-N 3.39Å; F688-L692 VanDerWaalsContact O-CB 3.31Å; F688-L692 WeakPolarHBondContact O-CB 3.31Å; F688-L692 PolarHBondContact O-N 3.08Å; F688-L714 WeakPolarHBondContact O-CD2 3.35Å; F688-I718 HydrophobicContact CB-CD1 3.94Å; F688-I718 HydrophobicContact CB-CG1 3.69Å |
| 689 | I | 85.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 175.3 | -58.7 | 159 | 0 | 0 | 0 | 110.5 | V685 Q686 L687 I691 L692 N693 I718 I734 H737 F738 | V685-I689 HydrophobicContact CG1-CD1 4.16Å; V685-I689 WeakPolarHBondContact O-CG1 3.46Å; V685-I689 PolarHBondContact O-N 2.82Å; Q686-I689 PolarHBondContact O-N 3.28Å; L687-I689 VanDerWaalsContact C-N 3.33Å; I689-I691 PolarHBondContact O-N 2.96Å; I689-L692 WeakPolarHBondContact O-CB 3.49Å; I689-L692 PolarHBondContact O-N 3.33Å; I689-N693 PolarHBondContact O-N 2.89Å; I689-N693 PolarHBondContact O-ND2 2.63Å; I689-I718 HydrophobicContact CG1-CD1 4.07Å; I689-I718 HydrophobicContact CG1-CG2 4.12Å; I689-I734 HydrophobicContact CD1-CG2 3.63Å; I689-H737 WeakPolarHBondContact CG2-CD2 3.28Å; I689-F738 HydrophobicContact CD1-CB 3.79Å; I689-F738 HydrophobicContact CD1-CD2 4.44Å; I689-F738 HydrophobicContact CD1-CG 4.43Å; I689-F738 HydrophobicContact CG1-CB 4.26Å; I689-F738 HydrophobicContact CG1-CD2 4Å; I689-F738 HydrophobicContact CG1-CG 4.48Å |
| 690 | E | 86.3 | Confident | 83.5 | Confident | 51 Ų | 51 | 29.7 Ų | 29.7 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.8 | -72 | 177.3 | -160.1 | 0 | 0 | 111.6 | R636 Q686 L687 N693 R694 | R636-E690 WeakPolarHBondContact CG-OE2 3.26Å; R636-E690 IonicContact CZ-OE1 3.4Å; R636-E690 IonicContact CZ-OE2 3.48Å; R636-E690 IonicContact NE-OE1 3.75Å; R636-E690 PolarHBondContact NE-OE1 2.94Å; R636-E690 IonicContact NE-OE2 2.76Å; R636-E690 PolarHBondContact NE-OE2 3.19Å; R636-E690 IonicContact NH2-OE1 3.77Å; R636-E690 PolarHBondContact NH2-OE1 3.19Å; R636-E690 IonicContact NH2-OE2 3.05Å; Q686-E690 PolarHBondContact O-N 2.84Å; L687-E690 PolarHBondContact O-N 3.48Å; E690-N693 PolarHBondContact O-N 3.43Å; E690-R694 WeakPolarHBondContact O-CG 3.37Å; E690-R694 PolarHBondContact O-N 2.91Å; E690-R694 VanDerWaalsContact O-N 3.1Å |
| 691 | I | 86.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 176 | -68.8 | 165.9 | 0 | 0 | 0 | 111 | A671 L672 A675 L687 F688 I689 N693 R694 Y695 L714 | A671-I691 HydrophobicContact CB-CD1 4.28Å; A671-I691 HydrophobicContact CB-CG1 4.45Å; L672-I691 HydrophobicContact CD1-CD1 4.37Å; A675-I691 HydrophobicContact CB-CD1 3.88Å; L687-I691 WeakPolarHBondContact O-CB 3.34Å; L687-I691 WeakPolarHBondContact O-CG1 3.03Å; L687-I691 PolarHBondContact O-N 3.36Å; F688-I691 PolarHBondContact O-N 3.39Å; I689-I691 PolarHBondContact O-N 2.96Å; I691-N693 VanDerWaalsContact C-N 3.34Å; I691-N693 PolarHBondContact O-N 2.87Å; I691-R694 WeakPolarHBondContact O-CB 3.34Å; I691-R694 PolarHBondContact O-N 2.93Å; I691-R694 VanDerWaalsContact O-N 3.09Å; I691-Y695 HydrophobicContact CG2-CD2 3.56Å; I691-Y695 HydrophobicContact CG2-CE2 3.36Å; I691-Y695 VanDerWaalsContact O-CD2 3.29Å; I691-Y695 WeakPolarHBondContact O-CD2 3.42Å; I691-Y695 PolarHBondContact O-N 3.42Å; I691-L714 HydrophobicContact CG2-CD2 4.23Å |
| 692 | L | 85.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.9 | 176.5 | 62.7 | 0 | 0 | 0 | 110.4 | F688 I689 R694 Y695 I696 L711 L714 I715 I718 F738 T741 | F688-L692 VanDerWaalsContact O-CB 3.31Å; F688-L692 WeakPolarHBondContact O-CB 3.31Å; F688-L692 PolarHBondContact O-N 3.08Å; I689-L692 WeakPolarHBondContact O-CB 3.49Å; I689-L692 PolarHBondContact O-N 3.33Å; L692-R694 PolarHBondContact O-N 3.26Å; L692-Y695 PolarHBondContact O-N 2.93Å; L692-Y695 VanDerWaalsContact O-N 3.09Å; L692-I696 HydrophobicContact CD1-CD1 4.27Å; L692-I696 HydrophobicContact CD1-CG1 4.39Å; L692-I696 HydrophobicContact CG-CD1 3.95Å; L692-I696 VanDerWaalsContact O-CG1 3.25Å; L692-I696 WeakPolarHBondContact O-CG1 3.44Å; L692-I696 PolarHBondContact O-N 3.24Å; L692-L711 HydrophobicContact CD1-CD2 3.72Å; L692-L714 HydrophobicContact CB-CD2 3.91Å; L692-L714 HydrophobicContact CD1-CB 4.28Å; L692-I715 HydrophobicContact CD1-CD1 4.47Å; L692-I715 HydrophobicContact CD1-CG1 3.99Å; L692-I715 HydrophobicContact CD2-CG1 3.71Å; L692-I718 HydrophobicContact CB-CD1 4.29Å; L692-I718 HydrophobicContact CD2-CD1 3.92Å; L692-F738 HydrophobicContact CD2-CE2 4.28Å; L692-T741 HydrophobicContact CD2-CG2 4.16Å |
| 693 | N | 85.5 | Confident | 81.5 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 25% | 0.246 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -35.2 | 175.4 | -71.6 | -26.4 | 0 | 0 | 0 | 112.2 | I689 E690 I691 C697 H737 T741 | I689-N693 PolarHBondContact O-N 2.89Å; I689-N693 PolarHBondContact O-ND2 2.63Å; E690-N693 PolarHBondContact O-N 3.43Å; I691-N693 VanDerWaalsContact C-N 3.34Å; I691-N693 PolarHBondContact O-N 2.87Å; N693-C697 PolarHBondContact O-N 3.17Å; N693-H737 PolarHBondContact ND2-NE2 3.39Å; N693-T741 PolarHBondContact ND2-OG1 3.3Å; N693-T741 WeakPolarHBondContact OD1-CG2 3.32Å; N693-T741 PolarHBondContact OD1-OG1 3.3Å |
| 694 | R | 83.1 | Confident | 80.5 | Confident | 102 Ų | 102 | 38.3 Ų | 38.3 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.4 | -41.6 | 173.9 | -63.3 | -57.2 | 177.3 | -178.2 | -0.2 | 113 | L668 E690 I691 L692 I696 C697 F698 | L668-R694 HydrophobicContact CD2-CB 4.26Å; E690-R694 WeakPolarHBondContact O-CG 3.37Å; E690-R694 PolarHBondContact O-N 2.91Å; E690-R694 VanDerWaalsContact O-N 3.1Å; I691-R694 WeakPolarHBondContact O-CB 3.34Å; I691-R694 PolarHBondContact O-N 2.93Å; I691-R694 VanDerWaalsContact O-N 3.09Å; L692-R694 PolarHBondContact O-N 3.26Å; R694-I696 VanDerWaalsContact C-N 3.27Å; R694-I696 PolarHBondContact O-N 3.37Å; R694-C697 PolarHBondContact O-N 3.4Å; R694-F698 WeakPolarHBondContact O-CD2 3.49Å; R694-F698 PolarHBondContact O-N 3.17Å |
| 695 | Y | 82.7 | Confident | 79.6 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 172.6 | -82.8 | -73.6 | 0 | 0 | 0 | 111.5 | M665 L668 I691 L692 F698 Y699 V706 V710 L711 L714 | M665-Y695 HydrophobicContact CE-CE1 4.22Å; M665-Y695 HydrophobicContact SD-CD1 4.48Å; M665-Y695 HydrophobicContact SD-CE1 3.81Å; L668-Y695 HydrophobicContact CB-CE1 3.72Å; L668-Y695 HydrophobicContact CB-CE2 4.03Å; L668-Y695 VanDerWaalsContact CB-CZ 3.42Å; L668-Y695 VanDerWaalsContact CB-OH 3.29Å; L668-Y695 WeakPolarHBondContact CB-OH 3.21Å; L668-Y695 HydrophobicContact CD1-CD1 3.55Å; L668-Y695 HydrophobicContact CD1-CE1 3.47Å; L668-Y695 VanDerWaalsContact CD1-CE1 3.47Å; L668-Y695 HydrophobicContact CD1-CG 4.13Å; L668-Y695 HydrophobicContact CG-CE1 4.21Å; I691-Y695 HydrophobicContact CG2-CD2 3.56Å; I691-Y695 HydrophobicContact CG2-CE2 3.36Å; I691-Y695 VanDerWaalsContact O-CD2 3.29Å; I691-Y695 WeakPolarHBondContact O-CD2 3.42Å; I691-Y695 PolarHBondContact O-N 3.42Å; L692-Y695 PolarHBondContact O-N 2.93Å; L692-Y695 VanDerWaalsContact O-N 3.09Å; Y695-F698 PolarHBondContact O-N 3.16Å; Y695-Y699 WeakPolarHBondContact O-CB 3.44Å; Y695-Y699 PolarHBondContact O-N 3.19Å; Y695-V706 HydrophobicContact CD1-CG1 3.84Å; Y695-V706 HydrophobicContact CD1-CG2 4.25Å; Y695-V710 HydrophobicContact CD1-CG1 4.34Å; Y695-V710 HydrophobicContact CE1-CG1 3.89Å; Y695-L711 HydrophobicContact CG-CD2 4.5Å; Y695-L714 HydrophobicContact CD2-CD1 4.34Å; Y695-L714 HydrophobicContact CE2-CD1 3.95Å |
| 696 | I | 81.4 | Confident | 79 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 176.5 | -64 | 164.4 | 0 | 0 | 0 | 110.2 | L692 R694 F698 Y699 E700 L711 T741 L745 | L692-I696 HydrophobicContact CD1-CD1 4.27Å; L692-I696 HydrophobicContact CD1-CG1 4.39Å; L692-I696 HydrophobicContact CG-CD1 3.95Å; L692-I696 VanDerWaalsContact O-CG1 3.25Å; L692-I696 WeakPolarHBondContact O-CG1 3.44Å; L692-I696 PolarHBondContact O-N 3.24Å; R694-I696 VanDerWaalsContact C-N 3.27Å; R694-I696 PolarHBondContact O-N 3.37Å; I696-F698 VanDerWaalsContact C-N 3.33Å; I696-F698 PolarHBondContact O-N 3.44Å; I696-Y699 WeakPolarHBondContact O-CB 3.45Å; I696-Y699 PolarHBondContact O-N 3.31Å; I696-Y699 VanDerWaalsContact O-N 3.11Å; I696-E700 HydrophobicContact CG2-CG 4.35Å; I696-E700 WeakPolarHBondContact O-CG 3.28Å; I696-E700 PolarHBondContact O-N 3.37Å; I696-L711 HydrophobicContact CG1-CD2 3.97Å; I696-T741 HydrophobicContact CD1-CG2 3.88Å; I696-L745 HydrophobicContact CD1-CD1 3.78Å; I696-L745 HydrophobicContact CD1-CD2 3.74Å; I696-L745 HydrophobicContact CD1-CG 3.91Å; I696-L745 HydrophobicContact CG1-CD2 3.93Å; I696-L745 HydrophobicContact CG2-CD2 3.97Å |
| 697 | C | 80.9 | Confident | 78.3 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | N693 R694 R701 | N693-C697 PolarHBondContact O-N 3.17Å; R694-C697 PolarHBondContact O-N 3.4Å; C697-R701 WeakPolarHBondContact O-CG 3.24Å; C697-R701 PolarHBondContact O-N 3.4Å |
| 698 | F | 79.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.5 | -31.6 | 175.2 | -70.3 | -62.2 | 0 | 0 | 0 | 112.9 | A642 H643 W646 V664 L668 R694 Y695 I696 R701 N703 V706 | A642-F698 HydrophobicContact CB-CE2 3.87Å; A642-F698 HydrophobicContact CB-CZ 3.86Å; H643-F698 AromaticContact CE1-CE1 3.91Å; H643-F698 AromaticContact CE1-CZ 3.5Å; H643-F698 AromaticContact CG-CZ 3.87Å; H643-F698 AromaticContact ND1-CE1 3.61Å; H643-F698 AromaticContact ND1-CZ 3.42Å; H643-F698 WeakPolarHBondContact ND1-CZ 3.29Å; H643-F698 AromaticContact NE2-CZ 3.97Å; W646-F698 HydrophobicContact CB-CD1 4.11Å; W646-F698 HydrophobicContact CB-CE1 3.64Å; W646-F698 AromaticContact CD1-CD1 3.85Å; W646-F698 HydrophobicContact CD2-CD1 4.33Å; W646-F698 AromaticContact CG-CD1 3.79Å; W646-F698 HydrophobicContact CG-CD1 3.79Å; W646-F698 AromaticContact CG-CE1 3.83Å; W646-F698 HydrophobicContact CG-CE1 3.83Å; V664-F698 HydrophobicContact CG1-CD1 4.09Å; V664-F698 HydrophobicContact CG1-CD2 3.88Å; V664-F698 HydrophobicContact CG1-CE1 4.21Å; V664-F698 HydrophobicContact CG1-CE2 4Å; V664-F698 HydrophobicContact CG1-CG 3.93Å; V664-F698 HydrophobicContact CG1-CZ 4.17Å; L668-F698 HydrophobicContact CD1-CD2 3.82Å; L668-F698 HydrophobicContact CD1-CE2 4.23Å; L668-F698 HydrophobicContact CD2-CE2 4.34Å; R694-F698 WeakPolarHBondContact O-CD2 3.49Å; R694-F698 PolarHBondContact O-N 3.17Å; Y695-F698 PolarHBondContact O-N 3.16Å; I696-F698 VanDerWaalsContact C-N 3.33Å; I696-F698 PolarHBondContact O-N 3.44Å; F698-R701 PolarHBondContact O-N 2.97Å; F698-N703 HydrophobicContact CB-CB 4.37Å; F698-N703 WeakPolarHBondContact O-CB 3.26Å; F698-N703 PolarHBondContact O-N 2.94Å; F698-N703 VanDerWaalsContact O-N 3.16Å; F698-V706 HydrophobicContact CB-CG2 4.16Å |
| 699 | Y | 76.6 | Confident | 77 | Confident | 27 Ų | 27 | 47 Ų | 47 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 172.5 | -174.1 | -95.9 | 0 | 0 | 0 | 110.4 | Y695 I696 R701 E702 V706 L708 L711 P757 A758 Y759 | Y695-Y699 WeakPolarHBondContact O-CB 3.44Å; Y695-Y699 PolarHBondContact O-N 3.19Å; I696-Y699 WeakPolarHBondContact O-CB 3.45Å; I696-Y699 PolarHBondContact O-N 3.31Å; I696-Y699 VanDerWaalsContact O-N 3.11Å; Y699-R701 PolarHBondContact O-N 3.2Å; Y699-E702 PolarHBondContact O-N 3.39Å; Y699-V706 HydrophobicContact CD2-CG1 4.27Å; Y699-V706 WeakPolarHBondContact CD2-O 3.29Å; Y699-L708 HydrophobicContact CE1-CD2 4.14Å; Y699-L708 HydrophobicContact CE2-CD2 3.98Å; Y699-L708 HydrophobicContact CE2-CG 4.04Å; Y699-L708 WeakPolarHBondContact OH-CD2 3.44Å; Y699-L708 WeakPolarHBondContact OH-CG 3.34Å; Y699-L711 HydrophobicContact CD2-CD1 4.29Å; Y699-L711 HydrophobicContact CG-CD1 4.14Å; Y699-P757 HydrophobicContact CD1-CB 4.44Å; Y699-P757 HydrophobicContact CD1-CG 3.96Å; Y699-P757 HydrophobicContact CE1-CB 3.86Å; Y699-P757 HydrophobicContact CE1-CG 3.85Å; Y699-P757 WeakPolarHBondContact O-CG 3.23Å; Y699-A758 PolarHBondContact OH-O 3.37Å; Y699-Y759 AromaticContact CD1-CD1 3.94Å; Y699-Y759 HydrophobicContact CD1-CD1 3.94Å; Y699-Y759 AromaticContact CD1-CE1 3.35Å; Y699-Y759 HydrophobicContact CD1-CE1 3.35Å; Y699-Y759 AromaticContact CD1-CZ 3.93Å; Y699-Y759 AromaticContact CE1-CD1 3.47Å; Y699-Y759 HydrophobicContact CE1-CD1 3.47Å; Y699-Y759 VanDerWaalsContact CE1-CD1 3.47Å; Y699-Y759 AromaticContact CE1-CE1 3.39Å; Y699-Y759 HydrophobicContact CE1-CE1 3.39Å; Y699-Y759 HydrophobicContact CE1-CG 4.3Å |
| 700 | E | 75.3 | Confident | 76.7 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.3 | -33.3 | 175.6 | -74.9 | 173 | 179.2 | 0 | 0 | 112.6 | I696 E702 H744 Y759 | I696-E700 HydrophobicContact CG2-CG 4.35Å; I696-E700 WeakPolarHBondContact O-CG 3.28Å; I696-E700 PolarHBondContact O-N 3.37Å; E700-E702 PolarHBondContact O-N 3.07Å; E700-H744 IonicContact OE1-CE1 3.2Å; E700-H744 IonicContact OE1-NE2 3.53Å; E700-H744 PolarHBondContact OE1-NE2 3.48Å; E700-Y759 WeakPolarHBondContact CG-OH 3.48Å; E700-Y759 PolarHBondContact OE1-OH 2.99Å |
| 701 | R | 70.3 | Confident | 76.3 | Confident | 105 Ų | 105 | 46 Ų | 46 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 20.3 | 176.2 | -66.8 | -179.7 | 179.6 | -171.8 | 0.6 | 114.2 | W646 C697 F698 Y699 N703 | W646-R701 WeakPolarHBondContact CZ2-O 3.2Å; C697-R701 WeakPolarHBondContact O-CG 3.24Å; C697-R701 PolarHBondContact O-N 3.4Å; F698-R701 PolarHBondContact O-N 2.97Å; Y699-R701 PolarHBondContact O-N 3.2Å; R701-N703 PolarHBondContact O-N 3.4Å |
| 702 | E | 68.6 | Low | 76.1 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 41 | 178.9 | -55.9 | -175.5 | 144.8 | 0 | 0 | 114.5 | Y699 E700 D704 | Y699-E702 PolarHBondContact O-N 3.39Å; E700-E702 PolarHBondContact O-N 3.07Å; E702-D704 PolarHBondContact O-N 3.44Å |
| 703 | N | 68.7 | Low | 75.9 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | trans | -79.5 | 99.6 | 172.6 | -169.9 | -8.5 | 0 | 0 | 0 | 111.9 | W646 G661 F698 R701 A705 V706 | W646-N703 VanDerWaalsContact CH2-CA 3.46Å; W646-N703 HydrophobicContact CH2-CB 3.41Å; W646-N703 VanDerWaalsContact CH2-CB 3.41Å; W646-N703 HydrophobicContact CZ2-CB 3.52Å; W646-N703 HydrophobicContact CZ3-CB 3.94Å; W646-N703 WeakPolarHBondContact CZ3-OD1 3.43Å; G661-N703 VanDerWaalsContact CA-OD1 3.31Å; G661-N703 WeakPolarHBondContact CA-OD1 3.43Å; F698-N703 HydrophobicContact CB-CB 4.37Å; F698-N703 WeakPolarHBondContact O-CB 3.26Å; F698-N703 PolarHBondContact O-N 2.94Å; F698-N703 VanDerWaalsContact O-N 3.16Å; R701-N703 PolarHBondContact O-N 3.4Å; N703-A705 PolarHBondContact O-N 2.95Å; N703-A705 VanDerWaalsContact OD1-CB 3.3Å; N703-A705 WeakPolarHBondContact OD1-CB 3.4Å; N703-A705 PolarHBondContact OD1-N 2.96Å; N703-A705 VanDerWaalsContact OD1-N 3.09Å; N703-V706 HydrophobicContact CB-CG2 4.2Å; N703-V706 PolarHBondContact O-N 3.47Å | ||
| 704 | D | 63.8 | Low | 75.7 | Confident | 160 Ų | 160 | 51.6 Ų | 51.6 | 86% | 0.856 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -23.3 | 176.8 | -67.1 | -30.8 | 0 | 0 | 0 | 114.3 | E702 | E702-D704 PolarHBondContact O-N 3.44Š|
| 705 | A | 66.9 | Low | 75.7 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -19.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G661 M665 N703 | G661-A705 WeakPolarHBondContact O-CB 3.21Å; M665-A705 HydrophobicContact CG-CB 3.66Å; M665-A705 WeakPolarHBondContact CG-O 3.44Å; N703-A705 PolarHBondContact O-N 2.95Å; N703-A705 VanDerWaalsContact OD1-CB 3.3Å; N703-A705 WeakPolarHBondContact OD1-CB 3.4Å; N703-A705 PolarHBondContact OD1-N 2.96Å; N703-A705 VanDerWaalsContact OD1-N 3.09Å |
| 706 | V | 71.3 | Confident | 75.7 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -91.5 | 106.4 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | M665 Y695 F698 Y699 N703 | M665-V706 HydrophobicContact SD-CB 4.39Å; M665-V706 HydrophobicContact SD-CG2 3.67Å; Y695-V706 HydrophobicContact CD1-CG1 3.84Å; Y695-V706 HydrophobicContact CD1-CG2 4.25Å; F698-V706 HydrophobicContact CB-CG2 4.16Å; Y699-V706 HydrophobicContact CD2-CG1 4.27Å; Y699-V706 WeakPolarHBondContact CD2-O 3.29Å; N703-V706 HydrophobicContact CB-CG2 4.2Å; N703-V706 PolarHBondContact O-N 3.47Å |
| 707 | T | 73.6 | Confident | 75.8 | Confident | 62 Ų | 62 | 55 Ų | 55 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | trans | -93.2 | 149.8 | -179.9 | 58 | 0 | 0 | 0 | 0 | 112 | Q709 V710 L711 | T707-Q709 PolarHBondContact O-N 2.97Å; T707-V710 PolarHBondContact O-N 3.07Å; T707-L711 PolarHBondContact O-N 2.84Å | ||
| 708 | L | 70.4 | Confident | 75.9 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.7 | -28.7 | 171.8 | -71.1 | 172.2 | 0 | 0 | 0 | 112.8 | Y699 V710 L711 N712 Y759 L762 | Y699-L708 HydrophobicContact CE1-CD2 4.14Å; Y699-L708 HydrophobicContact CE2-CD2 3.98Å; Y699-L708 HydrophobicContact CE2-CG 4.04Å; Y699-L708 WeakPolarHBondContact OH-CD2 3.44Å; Y699-L708 WeakPolarHBondContact OH-CG 3.34Å; L708-V710 PolarHBondContact O-N 3.43Å; L708-L711 HydrophobicContact CD2-CD1 4.33Å; L708-L711 PolarHBondContact O-N 2.88Å; L708-N712 WeakPolarHBondContact O-CB 3.45Å; L708-N712 VanDerWaalsContact O-CG 3.29Å; L708-N712 PolarHBondContact O-N 3.35Å; L708-N712 PolarHBondContact O-ND2 3.28Å; L708-Y759 HydrophobicContact CD2-CD1 4.37Å; L708-L762 HydrophobicContact CD2-CD1 3.57Å; L708-L762 HydrophobicContact CD2-CG 3.98Å |
| 709 | Q | 75.1 | Confident | 76 | Confident | 140 Ų | 140 | 57.9 Ų | 57.9 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 176 | -65.9 | -179.1 | -7.1 | 0 | 0 | 112.5 | T707 Q713 | T707-Q709 PolarHBondContact O-N 2.97Å; Q709-Q713 WeakPolarHBondContact O-CB 3.39Å; Q709-Q713 WeakPolarHBondContact O-CG 3.47Å; Q709-Q713 PolarHBondContact O-N 3.21Å |
| 710 | V | 78.3 | Confident | 76.4 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 179.1 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | M665 Y695 T707 L708 Q713 L714 | M665-V710 HydrophobicContact CE-CG2 4.31Å; Y695-V710 HydrophobicContact CD1-CG1 4.34Å; Y695-V710 HydrophobicContact CE1-CG1 3.89Å; T707-V710 PolarHBondContact O-N 3.07Å; L708-V710 PolarHBondContact O-N 3.43Å; V710-Q713 PolarHBondContact O-N 2.92Å; V710-L714 PolarHBondContact O-N 3.05Å; V710-L714 VanDerWaalsContact O-N 3.08Å |
| 711 | L | 78.7 | Confident | 76.7 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 174.3 | -69.3 | 173.5 | 0 | 0 | 0 | 111.2 | L692 Y695 I696 Y699 T707 L708 Q713 L714 I715 | L692-L711 HydrophobicContact CD1-CD2 3.72Å; Y695-L711 HydrophobicContact CG-CD2 4.5Å; I696-L711 HydrophobicContact CG1-CD2 3.97Å; Y699-L711 HydrophobicContact CD2-CD1 4.29Å; Y699-L711 HydrophobicContact CG-CD1 4.14Å; T707-L711 PolarHBondContact O-N 2.84Å; L708-L711 HydrophobicContact CD2-CD1 4.33Å; L708-L711 PolarHBondContact O-N 2.88Å; L711-Q713 VanDerWaalsContact C-N 3.33Å; L711-Q713 PolarHBondContact O-N 2.98Å; L711-L714 PolarHBondContact O-N 3.45Å; L711-I715 VanDerWaalsContact O-CG1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.39Å; L711-I715 PolarHBondContact O-N 3.19Å |
| 712 | N | 81.3 | Confident | 77.1 | Confident | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 178.7 | -72.8 | -22.6 | 0 | 0 | 0 | 112.2 | L708 I715 Q716 G761 L762 V763 | L708-N712 WeakPolarHBondContact O-CB 3.45Å; L708-N712 VanDerWaalsContact O-CG 3.29Å; L708-N712 PolarHBondContact O-N 3.35Å; L708-N712 PolarHBondContact O-ND2 3.28Å; N712-I715 PolarHBondContact O-N 2.91Å; N712-Q716 WeakPolarHBondContact O-CB 3.25Å; N712-Q716 PolarHBondContact O-N 3.43Å; N712-G761 PolarHBondContact ND2-O 3.37Å; N712-L762 WeakPolarHBondContact OD1-CA 3.38Å; N712-V763 PolarHBondContact OD1-N 3.49Å |
| 713 | Q | 82.2 | Confident | 77.6 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 176 | -76.2 | 171.5 | 6.2 | 0 | 0 | 112.3 | Q709 V710 L711 K717 | Q709-Q713 WeakPolarHBondContact O-CB 3.39Å; Q709-Q713 WeakPolarHBondContact O-CG 3.47Å; Q709-Q713 PolarHBondContact O-N 3.21Å; V710-Q713 PolarHBondContact O-N 2.92Å; L711-Q713 VanDerWaalsContact C-N 3.33Å; L711-Q713 PolarHBondContact O-N 2.98Å; Q713-K717 WeakPolarHBondContact O-CB 3.27Å; Q713-K717 PolarHBondContact O-N 3.42Å |
| 714 | L | 81.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.3 | -42 | 177.5 | -120 | 108.7 | 0 | 0 | 0 | 111.9 | L672 F688 I691 L692 Y695 V710 L711 K717 I718 | L672-L714 HydrophobicContact CD1-CD1 3.92Å; L672-L714 HydrophobicContact CD1-CD2 4.39Å; L672-L714 HydrophobicContact CD1-CG 4.31Å; L672-L714 HydrophobicContact CD2-CD1 4.04Å; F688-L714 WeakPolarHBondContact O-CD2 3.35Å; I691-L714 HydrophobicContact CG2-CD2 4.23Å; L692-L714 HydrophobicContact CB-CD2 3.91Å; L692-L714 HydrophobicContact CD1-CB 4.28Å; Y695-L714 HydrophobicContact CD2-CD1 4.34Å; Y695-L714 HydrophobicContact CE2-CD1 3.95Å; V710-L714 PolarHBondContact O-N 3.05Å; V710-L714 VanDerWaalsContact O-N 3.08Å; L711-L714 PolarHBondContact O-N 3.45Å; L714-K717 PolarHBondContact O-N 2.96Å; L714-I718 HydrophobicContact CD2-CD1 4.44Å; L714-I718 VanDerWaalsContact O-CG1 3.29Å; L714-I718 WeakPolarHBondContact O-CG1 3.35Å; L714-I718 PolarHBondContact O-N 3.42Å |
| 715 | I | 82.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 177.4 | -69.4 | 164.9 | 0 | 0 | 0 | 110.4 | L692 L711 N712 K717 I718 R719 F738 L742 L745 L762 L764 | L692-I715 HydrophobicContact CD1-CD1 4.47Å; L692-I715 HydrophobicContact CD1-CG1 3.99Å; L692-I715 HydrophobicContact CD2-CG1 3.71Å; L711-I715 VanDerWaalsContact O-CG1 3.28Å; L711-I715 WeakPolarHBondContact O-CG1 3.39Å; L711-I715 PolarHBondContact O-N 3.19Å; N712-I715 PolarHBondContact O-N 2.91Å; I715-K717 VanDerWaalsContact C-N 3.33Å; I715-K717 PolarHBondContact O-N 3.38Å; I715-I718 PolarHBondContact O-N 3.47Å; I715-R719 WeakPolarHBondContact O-CG 3.3Å; I715-R719 PolarHBondContact O-N 3.43Å; I715-F738 HydrophobicContact CG2-CZ 4.37Å; I715-L742 HydrophobicContact CG2-CD2 4.1Å; I715-L745 HydrophobicContact CD1-CD1 4.07Å; I715-L762 HydrophobicContact CD1-CD2 3.62Å; I715-L764 HydrophobicContact CD1-CD2 4.24Å |
| 716 | Q | 83.5 | Confident | 79.2 | Confident | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 177.2 | -176.9 | 179.3 | -8 | 0 | 0 | 110.9 | N712 I718 R719 E720 | N712-Q716 WeakPolarHBondContact O-CB 3.25Å; N712-Q716 PolarHBondContact O-N 3.43Å; Q716-I718 PolarHBondContact O-N 3.05Å; Q716-R719 WeakPolarHBondContact O-CB 3.38Å; Q716-R719 PolarHBondContact O-N 3.33Å; Q716-R719 VanDerWaalsContact O-N 3.16Å; Q716-E720 WeakPolarHBondContact CG-OE1 3.42Å; Q716-E720 PolarHBondContact NE2-OE1 3.27Å; Q716-E720 WeakPolarHBondContact O-CG 3.43Å; Q716-E720 PolarHBondContact O-N 2.92Å |
| 717 | K | 82.6 | Confident | 79.3 | Confident | 63 Ų | 63 | 67 Ų | 67 | 27% | 0.274 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 178.3 | -171.6 | 178.3 | 178.6 | -173.5 | 0 | 112.7 | N676 Q713 L714 I715 R719 E720 D721 | N676-K717 PolarHBondContact OD1-NZ 2.91Å; Q713-K717 WeakPolarHBondContact O-CB 3.27Å; Q713-K717 PolarHBondContact O-N 3.42Å; L714-K717 PolarHBondContact O-N 2.96Å; I715-K717 VanDerWaalsContact C-N 3.33Å; I715-K717 PolarHBondContact O-N 3.38Å; K717-R719 VanDerWaalsContact C-N 3.29Å; K717-R719 PolarHBondContact O-N 2.96Å; K717-E720 PolarHBondContact O-N 2.83Å; K717-D721 PolarHBondContact O-N 2.74Å |
| 718 | I | 83 | Confident | 79.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176 | -66.3 | 162.1 | 0 | 0 | 0 | 110.5 | V685 F688 I689 L692 L714 I715 Q716 E720 D721 L722 F738 | V685-I718 HydrophobicContact CG1-CG2 4.27Å; F688-I718 HydrophobicContact CB-CD1 3.94Å; F688-I718 HydrophobicContact CB-CG1 3.69Å; I689-I718 HydrophobicContact CG1-CD1 4.07Å; I689-I718 HydrophobicContact CG1-CG2 4.12Å; L692-I718 HydrophobicContact CB-CD1 4.29Å; L692-I718 HydrophobicContact CD2-CD1 3.92Å; L714-I718 HydrophobicContact CD2-CD1 4.44Å; L714-I718 VanDerWaalsContact O-CG1 3.29Å; L714-I718 WeakPolarHBondContact O-CG1 3.35Å; L714-I718 PolarHBondContact O-N 3.42Å; I715-I718 PolarHBondContact O-N 3.47Å; Q716-I718 PolarHBondContact O-N 3.05Å; I718-E720 VanDerWaalsContact C-N 3.31Å; I718-E720 PolarHBondContact O-N 3.16Å; I718-D721 PolarHBondContact O-N 3.43Å; I718-L722 HydrophobicContact CG2-CD1 4.17Å; I718-L722 WeakPolarHBondContact O-CB 3.36Å; I718-L722 PolarHBondContact O-N 3.01Å; I718-F738 HydrophobicContact CB-CE2 3.95Å; I718-F738 HydrophobicContact CB-CZ 4.04Å; I718-F738 HydrophobicContact CD1-CD2 4.49Å; I718-F738 HydrophobicContact CD1-CE2 4.07Å; I718-F738 HydrophobicContact CG2-CD1 4.16Å; I718-F738 HydrophobicContact CG2-CD2 3.68Å; I718-F738 HydrophobicContact CG2-CE1 3.99Å; I718-F738 HydrophobicContact CG2-CE2 3.49Å; I718-F738 VanDerWaalsContact CG2-CE2 3.49Å; I718-F738 HydrophobicContact CG2-CG 4Å; I718-F738 HydrophobicContact CG2-CZ 3.64Å |
| 719 | R | 82.8 | Confident | 79.9 | Confident | 91 Ų | 91 | 73 Ų | 73 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -32.6 | 176.5 | -74.1 | 176.7 | 176 | -173.9 | -5 | 113.9 | I715 Q716 K717 P723 F738 L764 | I715-R719 WeakPolarHBondContact O-CG 3.3Å; I715-R719 PolarHBondContact O-N 3.43Å; Q716-R719 WeakPolarHBondContact O-CB 3.38Å; Q716-R719 PolarHBondContact O-N 3.33Å; Q716-R719 VanDerWaalsContact O-N 3.16Å; K717-R719 VanDerWaalsContact C-N 3.29Å; K717-R719 PolarHBondContact O-N 2.96Å; R719-P723 WeakPolarHBondContact O-CD 3.31Å; R719-P723 WeakPolarHBondContact O-CG 3.35Å; R719-F738 HydrophobicContact CG-CE1 4Å; R719-F738 HydrophobicContact CG-CZ 4.06Å; R719-L764 PolarHBondContact NH1-O 3.38Å; R719-L764 PolarHBondContact NH2-O 3.09Å; R719-L764 PolarHBondContact NH2-OXT 3.43Å |
| 720 | E | 83.6 | Confident | 79.9 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.9 | -37.6 | 178.5 | -71.3 | 172.1 | -170.4 | 0 | 0 | 111.7 | Q716 K717 I718 N724 | Q716-E720 WeakPolarHBondContact CG-OE1 3.42Å; Q716-E720 PolarHBondContact NE2-OE1 3.27Å; Q716-E720 WeakPolarHBondContact O-CG 3.43Å; Q716-E720 PolarHBondContact O-N 2.92Å; K717-E720 PolarHBondContact O-N 2.83Å; I718-E720 VanDerWaalsContact C-N 3.31Å; I718-E720 PolarHBondContact O-N 3.16Å; E720-N724 PolarHBondContact O-ND2 3.19Å |
| 721 | D | 81.1 | Confident | 80 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 21% | 0.214 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -84.8 | -31.5 | -175.6 | -68.4 | -24.6 | 0 | 0 | 0 | 113.3 | V685 K717 I718 N724 | V685-D721 HydrophobicContact CG2-CB 3.9Å; K717-D721 PolarHBondContact O-N 2.74Å; I718-D721 PolarHBondContact O-N 3.43Å; D721-N724 WeakPolarHBondContact O-CB 3.39Å; D721-N724 PolarHBondContact O-N 2.97Å; D721-N724 VanDerWaalsContact O-N 3.16Å |
| 722 | L | 79.7 | Confident | 80.1 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -64 | -36.2 | -174 | -179.3 | 147.9 | 0 | 0 | 0 | 115.5 | V685 I718 N724 N735 F738 | V685-L722 HydrophobicContact CG1-CB 4.47Å; V685-L722 HydrophobicContact CG1-CD1 4.47Å; I718-L722 HydrophobicContact CG2-CD1 4.17Å; I718-L722 WeakPolarHBondContact O-CB 3.36Å; I718-L722 PolarHBondContact O-N 3.01Å; L722-N724 VanDerWaalsContact C-N 3.28Å; L722-N724 PolarHBondContact O-N 3.34Å; L722-N735 VanDerWaalsContact CD1-OD1 3.26Å; L722-N735 WeakPolarHBondContact CD1-OD1 3.39Å; L722-N735 WeakPolarHBondContact CD2-OD1 3.34Å; L722-N735 WeakPolarHBondContact CG-OD1 3.29Å; L722-F738 HydrophobicContact CD1-CB 4.17Å; L722-F738 HydrophobicContact CD1-CD1 3.73Å; L722-F738 HydrophobicContact CD1-CE1 4.41Å; L722-F738 HydrophobicContact CD1-CG 4.15Å |
| 723 | P | 78.6 | Confident | 80.2 | Confident | 95 Ų | 95 | 81.4 Ų | 81.4 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -72 | -18.3 | 173.5 | -18.2 | 32.1 | 0 | 0 | 0 | 114.4 | R719 L725 | R719-P723 WeakPolarHBondContact O-CD 3.31Å; R719-P723 WeakPolarHBondContact O-CG 3.35Å; P723-L725 VanDerWaalsContact C-N 3.27Å; P723-L725 PolarHBondContact O-N 3.46Å |
| 724 | N | 78.6 | Confident | 80.3 | Confident | 124 Ų | 124 | 75.8 Ų | 75.8 | 66% | 0.663 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -84.8 | -2 | -176.9 | -60.4 | -32.1 | 0 | 0 | 0 | 112.7 | E720 D721 L722 | E720-N724 PolarHBondContact O-ND2 3.19Å; D721-N724 WeakPolarHBondContact O-CB 3.39Å; D721-N724 PolarHBondContact O-N 2.97Å; D721-N724 VanDerWaalsContact O-N 3.16Å; L722-N724 VanDerWaalsContact C-N 3.28Å; L722-N724 PolarHBondContact O-N 3.34Å |
| 725 | L | 78.4 | Confident | 80.4 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -80 | 144.1 | 178.6 | -61.7 | 177.3 | 0 | 0 | 0 | 111.7 | S681 V685 P723 T731 | S681-L725 VanDerWaalsContact C-CD2 3.48Å; S681-L725 VanDerWaalsContact OG-CD2 3.23Å; S681-L725 WeakPolarHBondContact OG-CD2 3.42Å; V685-L725 HydrophobicContact CB-CD1 4.15Å; V685-L725 HydrophobicContact CG1-CD1 4.34Å; V685-L725 HydrophobicContact CG2-CD1 4.06Å; V685-L725 HydrophobicContact CG2-CD2 4.36Å; P723-L725 VanDerWaalsContact C-N 3.27Å; P723-L725 PolarHBondContact O-N 3.46Å; L725-T731 HydrophobicContact CB-CG2 3.82Å; L725-T731 HydrophobicContact CD1-CG2 4.07Å |
| 726 | E | 75.6 | Confident | 80.5 | Confident | 176 Ų | 176 | 83 Ų | 83 | 82% | 0.822 | 42% | 0.424 | S | S | * | . | trans | -64.3 | 140.3 | 171.7 | -65.3 | -174.2 | 173.5 | 0 | 0 | 110.6 | S728 T731 | E726-S728 PolarHBondContact O-N 3.28Å; E726-S728 VanDerWaalsContact O-N 3.09Å; E726-T731 PolarHBondContact O-OG1 2.74Å | ||
| 727 | A | 74.1 | Confident | 80.7 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 90% | 0.901 | 42% | 0.416 | S | S | * | . | trans | -73 | 104.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 728 | S | 79.4 | Confident | 80.8 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | trans | -130.6 | 166 | 174.5 | 74.2 | 0 | 0 | 0 | 0 | 110.4 | E726 E730 T731 E732 | E726-S728 PolarHBondContact O-N 3.28Å; E726-S728 VanDerWaalsContact O-N 3.09Å; S728-E730 PolarHBondContact O-N 2.93Å; S728-E730 PolarHBondContact OG-N 2.86Å; S728-T731 PolarHBondContact O-N 3.21Å; S728-T731 PolarHBondContact OG-N 3.5Å; S728-T731 PolarHBondContact OG-OG1 3.05Å; S728-T731 VanDerWaalsContact OG-OG1 3.05Å; S728-E732 PolarHBondContact O-N 3.07Å; S728-E732 VanDerWaalsContact O-N 3.17Å | ||
| 729 | E | 76.8 | Confident | 80.9 | Confident | 164 Ų | 164 | 83 Ų | 83 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59 | -32.4 | 173.3 | -68.3 | -175.1 | 171.5 | 0 | 0 | 112.1 | E732 Q733 | E729-E732 PolarHBondContact O-N 3.27Å; E729-Q733 PolarHBondContact O-N 2.88Å |
| 730 | E | 75.8 | Confident | 81.1 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 60% | 0.598 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.7 | -42.5 | 175.9 | -63.4 | -178.1 | 171.6 | 0 | 0 | 111.4 | S728 E732 Q733 I734 | S728-E730 PolarHBondContact O-N 2.93Å; S728-E730 PolarHBondContact OG-N 2.86Å; E730-E732 VanDerWaalsContact C-N 3.29Å; E730-E732 PolarHBondContact O-N 3.45Å; E730-Q733 WeakPolarHBondContact O-CB 3.43Å; E730-Q733 PolarHBondContact O-N 3.49Å; E730-Q733 VanDerWaalsContact O-N 3.16Å; E730-I734 WeakPolarHBondContact O-CG1 3.19Å; E730-I734 PolarHBondContact O-N 3.06Å |
| 731 | T | 79.9 | Confident | 81.1 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 7% | 0.067 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 176.5 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | L725 E726 S728 I734 N735 | L725-T731 HydrophobicContact CB-CG2 3.82Å; L725-T731 HydrophobicContact CD1-CG2 4.07Å; E726-T731 PolarHBondContact O-OG1 2.74Å; S728-T731 PolarHBondContact O-N 3.21Å; S728-T731 PolarHBondContact OG-N 3.5Å; S728-T731 PolarHBondContact OG-OG1 3.05Å; S728-T731 VanDerWaalsContact OG-OG1 3.05Å; T731-I734 PolarHBondContact O-N 2.65Å; T731-N735 WeakPolarHBondContact O-CB 3.36Å; T731-N735 PolarHBondContact O-N 2.76Å; T731-N735 PolarHBondContact O-ND2 3.48Å |
| 732 | E | 81.2 | Confident | 81.2 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 49% | 0.486 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 175.4 | -160.7 | -168.3 | 147.1 | 0 | 0 | 112.1 | S728 E729 E730 N735 K736 | S728-E732 PolarHBondContact O-N 3.07Å; S728-E732 VanDerWaalsContact O-N 3.17Å; E729-E732 PolarHBondContact O-N 3.27Å; E730-E732 VanDerWaalsContact C-N 3.29Å; E730-E732 PolarHBondContact O-N 3.45Å; E732-N735 PolarHBondContact O-N 3.3Å; E732-K736 WeakPolarHBondContact O-CG 3.44Å; E732-K736 PolarHBondContact O-N 3.45Å; E732-K736 VanDerWaalsContact OE1-CE 3.28Å; E732-K736 WeakPolarHBondContact OE1-CE 3.43Å; E732-K736 IonicContact OE1-NZ 3.5Å; E732-K736 PolarHBondContact OE1-NZ 3.35Å |
| 733 | Q | 83.9 | Confident | 81.3 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 63% | 0.631 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 174.5 | -69.1 | -178.5 | 9.5 | 0 | 0 | 111.9 | E729 E730 N735 K736 H737 | E729-Q733 PolarHBondContact O-N 2.88Å; E730-Q733 WeakPolarHBondContact O-CB 3.43Å; E730-Q733 PolarHBondContact O-N 3.49Å; E730-Q733 VanDerWaalsContact O-N 3.16Å; Q733-N735 VanDerWaalsContact C-N 3.33Å; Q733-N735 PolarHBondContact O-N 2.97Å; Q733-K736 PolarHBondContact O-N 3.04Å; Q733-H737 WeakPolarHBondContact O-CB 3.02Å; Q733-H737 PolarHBondContact O-N 3.47Å |
| 734 | I | 84.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 79.5 Ų | 79.5 | 5% | 0.051 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.4 | -67.3 | 167.9 | 0 | 0 | 0 | 110.5 | S682 V685 Q686 I689 E730 T731 K736 H737 F738 | S682-I734 VanDerWaalsContact OG-CD1 3.26Å; S682-I734 WeakPolarHBondContact OG-CD1 3.42Å; V685-I734 HydrophobicContact CG1-CG2 3.95Å; Q686-I734 HydrophobicContact CB-CD1 4.18Å; Q686-I734 HydrophobicContact CB-CG1 4.32Å; I689-I734 HydrophobicContact CD1-CG2 3.63Å; E730-I734 WeakPolarHBondContact O-CG1 3.19Å; E730-I734 PolarHBondContact O-N 3.06Å; T731-I734 PolarHBondContact O-N 2.65Å; I734-K736 PolarHBondContact O-N 3.16Å; I734-H737 WeakPolarHBondContact O-CB 3.09Å; I734-H737 PolarHBondContact O-N 3.03Å; I734-F738 PolarHBondContact O-N 3.42Å |
| 735 | N | 83.4 | Confident | 81.3 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 25% | 0.251 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.3 | -75.7 | -23.9 | 0 | 0 | 0 | 112.3 | L722 T731 E732 Q733 H737 F738 N739 | L722-N735 VanDerWaalsContact CD1-OD1 3.26Å; L722-N735 WeakPolarHBondContact CD1-OD1 3.39Å; L722-N735 WeakPolarHBondContact CD2-OD1 3.34Å; L722-N735 WeakPolarHBondContact CG-OD1 3.29Å; T731-N735 WeakPolarHBondContact O-CB 3.36Å; T731-N735 PolarHBondContact O-N 2.76Å; T731-N735 PolarHBondContact O-ND2 3.48Å; E732-N735 PolarHBondContact O-N 3.3Å; Q733-N735 VanDerWaalsContact C-N 3.33Å; Q733-N735 PolarHBondContact O-N 2.97Å; N735-H737 VanDerWaalsContact C-N 3.34Å; N735-F738 PolarHBondContact O-N 3.43Å; N735-N739 WeakPolarHBondContact O-CB 3.22Å; N735-N739 VanDerWaalsContact O-CG 3.23Å; N735-N739 PolarHBondContact O-N 3.45Å; N735-N739 PolarHBondContact O-ND2 3.05Å |
| 736 | K | 85.6 | Confident | 81.1 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 173.8 | -74.9 | 173.1 | -175.4 | 160.9 | 0 | 111.4 | E732 Q733 I734 N739 N740 | E732-K736 WeakPolarHBondContact O-CG 3.44Å; E732-K736 PolarHBondContact O-N 3.45Å; E732-K736 VanDerWaalsContact OE1-CE 3.28Å; E732-K736 WeakPolarHBondContact OE1-CE 3.43Å; E732-K736 IonicContact OE1-NZ 3.5Å; E732-K736 PolarHBondContact OE1-NZ 3.35Å; Q733-K736 PolarHBondContact O-N 3.04Å; I734-K736 PolarHBondContact O-N 3.16Å; K736-N739 PolarHBondContact O-N 2.81Å; K736-N740 WeakPolarHBondContact O-CB 3.48Å; K736-N740 PolarHBondContact O-N 3.09Å; K736-N740 PolarHBondContact O-ND2 3.47Å |
| 737 | H | 86.1 | Confident | 81 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.4 | -172.2 | 51.3 | 0 | 0 | 0 | 111.8 | I689 N693 Q733 I734 N735 N740 T741 | I689-H737 WeakPolarHBondContact CG2-CD2 3.28Å; N693-H737 PolarHBondContact ND2-NE2 3.39Å; Q733-H737 WeakPolarHBondContact O-CB 3.02Å; Q733-H737 PolarHBondContact O-N 3.47Å; I734-H737 WeakPolarHBondContact O-CB 3.09Å; I734-H737 PolarHBondContact O-N 3.03Å; N735-H737 VanDerWaalsContact C-N 3.34Å; H737-N740 PolarHBondContact O-N 3.01Å; H737-T741 PolarHBondContact O-N 2.94Å; H737-T741 PolarHBondContact O-OG1 2.98Å |
| 738 | F | 85.8 | Confident | 80.7 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177 | -176.5 | -124.5 | 0 | 0 | 0 | 112.7 | I689 L692 I715 I718 R719 L722 I734 N735 N740 T741 L742 | I689-F738 HydrophobicContact CD1-CB 3.79Å; I689-F738 HydrophobicContact CD1-CD2 4.44Å; I689-F738 HydrophobicContact CD1-CG 4.43Å; I689-F738 HydrophobicContact CG1-CB 4.26Å; I689-F738 HydrophobicContact CG1-CD2 4Å; I689-F738 HydrophobicContact CG1-CG 4.48Å; L692-F738 HydrophobicContact CD2-CE2 4.28Å; I715-F738 HydrophobicContact CG2-CZ 4.37Å; I718-F738 HydrophobicContact CB-CE2 3.95Å; I718-F738 HydrophobicContact CB-CZ 4.04Å; I718-F738 HydrophobicContact CD1-CD2 4.49Å; I718-F738 HydrophobicContact CD1-CE2 4.07Å; I718-F738 HydrophobicContact CG2-CD1 4.16Å; I718-F738 HydrophobicContact CG2-CD2 3.68Å; I718-F738 HydrophobicContact CG2-CE1 3.99Å; I718-F738 HydrophobicContact CG2-CE2 3.49Å; I718-F738 VanDerWaalsContact CG2-CE2 3.49Å; I718-F738 HydrophobicContact CG2-CG 4Å; I718-F738 HydrophobicContact CG2-CZ 3.64Å; R719-F738 HydrophobicContact CG-CE1 4Å; R719-F738 HydrophobicContact CG-CZ 4.06Å; L722-F738 HydrophobicContact CD1-CB 4.17Å; L722-F738 HydrophobicContact CD1-CD1 3.73Å; L722-F738 HydrophobicContact CD1-CE1 4.41Å; L722-F738 HydrophobicContact CD1-CG 4.15Å; I734-F738 PolarHBondContact O-N 3.42Å; N735-F738 PolarHBondContact O-N 3.43Å; F738-N740 VanDerWaalsContact C-N 3.31Å; F738-N740 PolarHBondContact O-N 3.08Å; F738-T741 WeakPolarHBondContact O-CB 3.17Å; F738-T741 PolarHBondContact O-N 2.93Å; F738-L742 HydrophobicContact CD1-CD1 3.99Å; F738-L742 HydrophobicContact CD2-CG 4.46Å; F738-L742 HydrophobicContact CE1-CD1 3.56Å; F738-L742 HydrophobicContact CE1-CG 4.27Å; F738-L742 HydrophobicContact CE2-CD1 4.31Å; F738-L742 HydrophobicContact CE2-CD2 4.2Å; F738-L742 HydrophobicContact CE2-CG 4.15Å; F738-L742 HydrophobicContact CZ-CD1 3.75Å; F738-L742 HydrophobicContact CZ-CD2 4.11Å; F738-L742 HydrophobicContact CZ-CG 4.06Å; F738-L742 WeakPolarHBondContact O-CG 3.22Å; F738-L742 PolarHBondContact O-N 3.03Å |
| 739 | N | 85 | Confident | 80 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.5 | -72.9 | -27.8 | 0 | 0 | 0 | 111.7 | N735 K736 L742 E743 | N735-N739 WeakPolarHBondContact O-CB 3.22Å; N735-N739 VanDerWaalsContact O-CG 3.23Å; N735-N739 PolarHBondContact O-N 3.45Å; N735-N739 PolarHBondContact O-ND2 3.05Å; K736-N739 PolarHBondContact O-N 2.81Å; N739-L742 PolarHBondContact O-N 3.37Å; N739-E743 WeakPolarHBondContact O-CG 3.48Å; N739-E743 PolarHBondContact O-N 3.43Å |
| 740 | N | 86.6 | Confident | 79.3 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 175 | -70.8 | -11.8 | 0 | 0 | 0 | 112.2 | K736 H737 F738 L742 E743 H744 | K736-N740 WeakPolarHBondContact O-CB 3.48Å; K736-N740 PolarHBondContact O-N 3.09Å; K736-N740 PolarHBondContact O-ND2 3.47Å; H737-N740 PolarHBondContact O-N 3.01Å; F738-N740 VanDerWaalsContact C-N 3.31Å; F738-N740 PolarHBondContact O-N 3.08Å; N740-L742 VanDerWaalsContact C-N 3.34Å; N740-E743 PolarHBondContact O-N 3.06Å; N740-H744 PolarHBondContact O-N 2.99Å |
| 741 | T | 83.8 | Confident | 78.4 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | L692 N693 I696 H737 F738 H744 L745 | L692-T741 HydrophobicContact CD2-CG2 4.16Å; N693-T741 PolarHBondContact ND2-OG1 3.3Å; N693-T741 WeakPolarHBondContact OD1-CG2 3.32Å; N693-T741 PolarHBondContact OD1-OG1 3.3Å; I696-T741 HydrophobicContact CD1-CG2 3.88Å; H737-T741 PolarHBondContact O-N 2.94Å; H737-T741 PolarHBondContact O-OG1 2.98Å; F738-T741 WeakPolarHBondContact O-CB 3.17Å; F738-T741 PolarHBondContact O-N 2.93Å; T741-H744 PolarHBondContact O-N 3.47Å; T741-L745 WeakPolarHBondContact O-CG 3.42Å; T741-L745 PolarHBondContact O-N 3.2Å; T741-L745 VanDerWaalsContact O-N 3.1Å |
| 742 | L | 83.1 | Confident | 77.4 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.7 | -68.7 | 177.7 | 0 | 0 | 0 | 112.2 | I715 F738 N739 N740 L745 R746 L764 | I715-L742 HydrophobicContact CG2-CD2 4.1Å; F738-L742 HydrophobicContact CD1-CD1 3.99Å; F738-L742 HydrophobicContact CD2-CG 4.46Å; F738-L742 HydrophobicContact CE1-CD1 3.56Å; F738-L742 HydrophobicContact CE1-CG 4.27Å; F738-L742 HydrophobicContact CE2-CD1 4.31Å; F738-L742 HydrophobicContact CE2-CD2 4.2Å; F738-L742 HydrophobicContact CE2-CG 4.15Å; F738-L742 HydrophobicContact CZ-CD1 3.75Å; F738-L742 HydrophobicContact CZ-CD2 4.11Å; F738-L742 HydrophobicContact CZ-CG 4.06Å; F738-L742 WeakPolarHBondContact O-CG 3.22Å; F738-L742 PolarHBondContact O-N 3.03Å; N739-L742 PolarHBondContact O-N 3.37Å; N740-L742 VanDerWaalsContact C-N 3.34Å; L742-L745 PolarHBondContact O-N 3.02Å; L742-R746 WeakPolarHBondContact O-CG 3.39Å; L742-R746 PolarHBondContact O-N 3.44Å; L742-L764 HydrophobicContact CD2-CD2 3.57Å |
| 743 | E | 82.1 | Confident | 75.9 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 173.6 | -77.2 | -61.4 | 139.7 | 0 | 0 | 111.6 | N739 N740 L745 R746 L747 | N739-E743 WeakPolarHBondContact O-CG 3.48Å; N739-E743 PolarHBondContact O-N 3.43Å; N740-E743 PolarHBondContact O-N 3.06Å; E743-L745 VanDerWaalsContact C-N 3.32Å; E743-L745 PolarHBondContact O-N 3.39Å; E743-R746 WeakPolarHBondContact O-CB 3.35Å; E743-R746 PolarHBondContact O-N 3.49Å; E743-R746 VanDerWaalsContact O-N 3.1Å; E743-R746 IonicContact OE1-CZ 3.42Å; E743-R746 IonicContact OE1-NH1 2.78Å; E743-R746 PolarHBondContact OE1-NH1 2.93Å; E743-L747 WeakPolarHBondContact O-CG 3.32Å; E743-L747 PolarHBondContact O-N 3.46Å |
| 744 | H | 81 | Confident | 74.2 | Confident | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 172.2 | 177.3 | 78.4 | 0 | 0 | 0 | 111.7 | E700 N740 T741 R746 L747 Q748 | E700-H744 IonicContact OE1-CE1 3.2Å; E700-H744 IonicContact OE1-NE2 3.53Å; E700-H744 PolarHBondContact OE1-NE2 3.48Å; N740-H744 PolarHBondContact O-N 2.99Å; T741-H744 PolarHBondContact O-N 3.47Å; H744-R746 VanDerWaalsContact C-N 3.33Å; H744-R746 PolarHBondContact O-N 3.44Å; H744-L747 PolarHBondContact O-N 2.82Å; H744-Q748 WeakPolarHBondContact O-CB 3.35Å; H744-Q748 WeakPolarHBondContact O-CG 3.29Å; H744-Q748 PolarHBondContact O-N 3Å |
| 745 | L | 76.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 176.5 | -70.9 | 174.6 | 0 | 0 | 0 | 113.2 | I696 I715 T741 L742 E743 R749 Y759 L762 L764 | I696-L745 HydrophobicContact CD1-CD1 3.78Å; I696-L745 HydrophobicContact CD1-CD2 3.74Å; I696-L745 HydrophobicContact CD1-CG 3.91Å; I696-L745 HydrophobicContact CG1-CD2 3.93Å; I696-L745 HydrophobicContact CG2-CD2 3.97Å; I715-L745 HydrophobicContact CD1-CD1 4.07Å; T741-L745 WeakPolarHBondContact O-CG 3.42Å; T741-L745 PolarHBondContact O-N 3.2Å; T741-L745 VanDerWaalsContact O-N 3.1Å; L742-L745 PolarHBondContact O-N 3.02Å; E743-L745 VanDerWaalsContact C-N 3.32Å; E743-L745 PolarHBondContact O-N 3.39Å; L745-R749 WeakPolarHBondContact O-CB 3.44Å; L745-R749 PolarHBondContact O-N 2.7Å; L745-R749 VanDerWaalsContact O-N 3.14Å; L745-Y759 HydrophobicContact CD2-CE1 4.33Å; L745-L762 HydrophobicContact CD1-CD2 4.36Å; L745-L764 HydrophobicContact CB-CD1 3.87Å; L745-L764 HydrophobicContact CB-CD2 3.77Å; L745-L764 HydrophobicContact CB-CG 4.46Å; L745-L764 HydrophobicContact CD1-CD2 3.75Å; L745-L764 HydrophobicContact CG-CD2 4.44Å |
| 746 | R | 74.3 | Confident | 70.9 | Confident | 84 Ų | 84 | 81.7 Ų | 81.7 | 32% | 0.317 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 174.4 | -73.7 | 176.4 | -177.3 | 162.6 | 0.5 | 111.4 | L742 E743 H744 R749 E750 L764 | L742-R746 WeakPolarHBondContact O-CG 3.39Å; L742-R746 PolarHBondContact O-N 3.44Å; E743-R746 WeakPolarHBondContact O-CB 3.35Å; E743-R746 PolarHBondContact O-N 3.49Å; E743-R746 VanDerWaalsContact O-N 3.1Å; E743-R746 IonicContact OE1-CZ 3.42Å; E743-R746 IonicContact OE1-NH1 2.78Å; E743-R746 PolarHBondContact OE1-NH1 2.93Å; H744-R746 VanDerWaalsContact C-N 3.33Å; H744-R746 PolarHBondContact O-N 3.44Å; R746-R749 WeakPolarHBondContact O-CB 3.41Å; R746-R749 PolarHBondContact O-N 2.85Å; R746-E750 WeakPolarHBondContact O-CG 3.49Å; R746-E750 PolarHBondContact O-N 2.89Å; R746-L764 HydrophobicContact CG-CD1 3.83Å; R746-L764 PolarHBondContact NH2-OXT 3.05Å |
| 747 | L | 72.6 | Confident | 69.4 | Low | 98 Ų | 98 | 77.6 Ų | 77.6 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 177.3 | -70.6 | 171.2 | 0 | 0 | 0 | 111.3 | E743 H744 R749 E750 S751 | E743-L747 WeakPolarHBondContact O-CG 3.32Å; E743-L747 PolarHBondContact O-N 3.46Å; H744-L747 PolarHBondContact O-N 2.82Å; L747-R749 PolarHBondContact O-N 3.07Å; L747-E750 PolarHBondContact O-N 3.06Å; L747-E750 VanDerWaalsContact O-N 3.11Å; L747-S751 PolarHBondContact O-N 3Å; L747-S751 PolarHBondContact O-OG 3.19Å; L747-S751 VanDerWaalsContact O-OG 3.09Å |
| 748 | Q | 67.3 | Low | 67.9 | Low | 38 Ų | 38 | 76.9 Ų | 76.9 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.6 | -27.4 | 176.1 | -74.6 | -68.5 | -11.1 | 0 | 0 | 113.3 | H744 Y759 | H744-Q748 WeakPolarHBondContact O-CB 3.35Å; H744-Q748 WeakPolarHBondContact O-CG 3.29Å; H744-Q748 PolarHBondContact O-N 3Å; Q748-Y759 HydrophobicContact CB-CD2 4.16Å; Q748-Y759 HydrophobicContact CB-CE2 3.7Å |
| 749 | R | 65.1 | Low | 66.6 | Low | 115 Ų | 115 | 77.4 Ų | 77.4 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74.9 | -37.3 | 172.2 | -173.7 | -171.9 | 67.9 | 178.1 | 0.3 | 112.6 | L745 R746 L747 | L745-R749 WeakPolarHBondContact O-CB 3.44Å; L745-R749 PolarHBondContact O-N 2.7Å; L745-R749 VanDerWaalsContact O-N 3.14Å; R746-R749 WeakPolarHBondContact O-CB 3.41Å; R746-R749 PolarHBondContact O-N 2.85Å; L747-R749 PolarHBondContact O-N 3.07Å |
| 750 | E | 62.3 | Low | 64.9 | Low | 136 Ų | 136 | 81.7 Ų | 81.7 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -84.1 | -27.7 | -175.2 | -72.5 | 173.9 | -166.8 | 0 | 0 | 113 | R746 L747 | R746-E750 WeakPolarHBondContact O-CG 3.49Å; R746-E750 PolarHBondContact O-N 2.89Å; L747-E750 PolarHBondContact O-N 3.06Å; L747-E750 VanDerWaalsContact O-N 3.11Å |
| 751 | S | 57.5 | Low | 63.4 | Low | 77 Ų | 77 | 78.8 Ų | 78.8 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -132.5 | 82.8 | 174 | 60 | 0 | 0 | 0 | 0 | 111 | L747 E753 | L747-S751 PolarHBondContact O-N 3Å; L747-S751 PolarHBondContact O-OG 3.19Å; L747-S751 VanDerWaalsContact O-OG 3.09Å; S751-E753 PolarHBondContact O-N 3.5Å |
| 752 | P | 57.2 | Low | 62.1 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 60% | 0.597 | 43% | 0.431 | S | S | * | . | trans | -65.3 | 125.3 | 175.1 | 25 | -30.9 | 0 | 0 | 0 | 109.8 | ||||
| 753 | E | 51.6 | Low | 60.8 | Low | 146 Ų | 146 | 83.6 Ų | 83.6 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | trans | -59.7 | 140.1 | 164.9 | -71.8 | -176 | 168.8 | 0 | 0 | 108.7 | S751 E755 G756 | S751-E753 PolarHBondContact O-N 3.5Å; E753-E755 PolarHBondContact O-N 2.63Å; E753-G756 PolarHBondContact O-N 3.16Å | ||
| 754 | S | 47.6 | Very low | 59.5 | Low | 129 Ų | 129 | 81.1 Ų | 81.1 | 90% | 0.902 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -7.7 | -168.5 | -178.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 755 | E | 48.2 | Very low | 58.5 | Low | 179 Ų | 179 | 81.3 Ų | 81.3 | 84% | 0.836 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134 | 18.5 | -179.7 | -66 | -175.2 | 160.1 | 0 | 0 | 112.8 | E753 | E753-E755 PolarHBondContact O-N 2.63Š|
| 756 | G | 48.6 | Very low | 57.5 | Low | 38 Ų | 38 | 85.5 Ų | 85.5 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -98 | 151.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E753 | E753-G756 PolarHBondContact O-N 3.16Š|
| 757 | P | 55 | Low | 56.6 | Low | 29 Ų | 29 | 85.6 Ų | 85.6 | 19% | 0.188 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 136.3 | -179.2 | 17.2 | -20.8 | 0 | 0 | 0 | 112.2 | Y699 Y759 | Y699-P757 HydrophobicContact CD1-CB 4.44Å; Y699-P757 HydrophobicContact CD1-CG 3.96Å; Y699-P757 HydrophobicContact CE1-CB 3.86Å; Y699-P757 HydrophobicContact CE1-CG 3.85Å; Y699-P757 WeakPolarHBondContact O-CG 3.23Å; P757-Y759 PolarHBondContact O-N 3.42Å |
| 758 | A | 54.4 | Low | 55.6 | Low | 64 Ų | 64 | 84.8 Ų | 84.8 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 122.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y699 E760 | Y699-A758 PolarHBondContact OH-O 3.37Å; A758-E760 PolarHBondContact O-N 3.47Å |
| 759 | Y | 58 | Low | 54.9 | Low | 17 Ų | 17 | 87.8 Ų | 87.8 | 7% | 0.067 | 50% | 0.502 | C | S | . | . | trans | -82.9 | 20.8 | 175 | -67 | -76.9 | 0 | 0 | 0 | 113.3 | Y699 E700 L708 L745 Q748 P757 G761 L762 | Y699-Y759 AromaticContact CD1-CD1 3.94Å; Y699-Y759 HydrophobicContact CD1-CD1 3.94Å; Y699-Y759 AromaticContact CD1-CE1 3.35Å; Y699-Y759 HydrophobicContact CD1-CE1 3.35Å; Y699-Y759 AromaticContact CD1-CZ 3.93Å; Y699-Y759 AromaticContact CE1-CD1 3.47Å; Y699-Y759 HydrophobicContact CE1-CD1 3.47Å; Y699-Y759 VanDerWaalsContact CE1-CD1 3.47Å; Y699-Y759 AromaticContact CE1-CE1 3.39Å; Y699-Y759 HydrophobicContact CE1-CE1 3.39Å; Y699-Y759 HydrophobicContact CE1-CG 4.3Å; E700-Y759 WeakPolarHBondContact CG-OH 3.48Å; E700-Y759 PolarHBondContact OE1-OH 2.99Å; L708-Y759 HydrophobicContact CD2-CD1 4.37Å; L745-Y759 HydrophobicContact CD2-CE1 4.33Å; Q748-Y759 HydrophobicContact CB-CD2 4.16Å; Q748-Y759 HydrophobicContact CB-CE2 3.7Å; P757-Y759 PolarHBondContact O-N 3.42Å; Y759-G761 PolarHBondContact O-N 3.28Å; Y759-L762 HydrophobicContact CD1-CD1 3.25Å; Y759-L762 HydrophobicContact CE1-CD1 4.07Å; Y759-L762 HydrophobicContact CG-CD1 3.99Å; Y759-L762 PolarHBondContact O-N 2.97Å | ||
| 760 | E | 50.9 | Low | 54.2 | Low | 181 Ų | 181 | 85.9 Ų | 85.9 | 85% | 0.846 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 92 | 179.5 | -70.9 | -173.5 | 167.1 | 0 | 0 | 110.5 | A758 | A758-E760 PolarHBondContact O-N 3.47Š|
| 761 | G | 55 | Low | 53.7 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 139.5 | -0.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | N712 Y759 | N712-G761 PolarHBondContact ND2-O 3.37Å; Y759-G761 PolarHBondContact O-N 3.28Å |
| 762 | L | 56.2 | Low | 53.4 | Low | 16 Ų | 16 | 82.8 Ų | 82.8 | 8% | 0.084 | 49% | 0.494 | C | S | . | . | trans | -74.7 | 129.6 | 172.8 | -108.6 | 139 | 0 | 0 | 0 | 112.3 | L708 N712 I715 L745 Y759 L764 | L708-L762 HydrophobicContact CD2-CD1 3.57Å; L708-L762 HydrophobicContact CD2-CG 3.98Å; N712-L762 WeakPolarHBondContact OD1-CA 3.38Å; I715-L762 HydrophobicContact CD1-CD2 3.62Å; L745-L762 HydrophobicContact CD1-CD2 4.36Å; Y759-L762 HydrophobicContact CD1-CD1 3.25Å; Y759-L762 HydrophobicContact CE1-CD1 4.07Å; Y759-L762 HydrophobicContact CG-CD1 3.99Å; Y759-L762 PolarHBondContact O-N 2.97Å; L762-L764 HydrophobicContact CB-CG 4.43Å; L762-L764 HydrophobicContact CD2-CD2 4.05Å; L762-L764 HydrophobicContact CD2-CG 4.11Å | ||
| 763 | V | 56.2 | Low | 53.1 | Low | 102 Ų | 102 | 82 Ų | 82 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | trans | -99.9 | 91.8 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | N712 | N712-V763 PolarHBondContact OD1-N 3.49Š| ||
| 764 | L | 55 | Low | 53.2 | Low | 34 Ų | 34 | 76.2 Ų | 76.2 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | trans | -94.2 | 0 | -179 | -73.5 | 169.3 | 0 | 0 | 0 | 114.1 | I715 R719 L742 L745 R746 L762 | I715-L764 HydrophobicContact CD1-CD2 4.24Å; R719-L764 PolarHBondContact NH1-O 3.38Å; R719-L764 PolarHBondContact NH2-O 3.09Å; R719-L764 PolarHBondContact NH2-OXT 3.43Å; L742-L764 HydrophobicContact CD2-CD2 3.57Å; L745-L764 HydrophobicContact CB-CD1 3.87Å; L745-L764 HydrophobicContact CB-CD2 3.77Å; L745-L764 HydrophobicContact CB-CG 4.46Å; L745-L764 HydrophobicContact CD1-CD2 3.75Å; L745-L764 HydrophobicContact CG-CD2 4.44Å; R746-L764 HydrophobicContact CG-CD1 3.83Å; R746-L764 PolarHBondContact NH2-OXT 3.05Å; L762-L764 HydrophobicContact CB-CG 4.43Å; L762-L764 HydrophobicContact CD2-CD2 4.05Å; L762-L764 HydrophobicContact CD2-CG 4.11Å |
Retrieved 764 of 764 residues in 680.4 ms
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