| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.8 | Low | 77 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | 0 | -74.8 | 0 | -90.2 | -76.7 | -92.6 | 0 | 0 | 112.7 | Q3 L4 I5 L27 S31 | M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-L27 HydrophobicContact SD-CD2 4.05Å; M1-S31 WeakPolarHBondContact CE-OG 3.29Å | |||
| 2 | S | 70.5 | Confident | 77.5 | Confident | 89 Ų | 89 | 90.2 Ų | 90.2 | 62% | 0.622 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.9 | -36.3 | -176.3 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | K6 | S2-K6 WeakPolarHBondContact O-CG 3.43Å; S2-K6 PolarHBondContact O-N 2.85Å |
| 3 | Q | 76.8 | Confident | 77.8 | Confident | 154 Ų | 154 | 97.1 Ų | 97.1 | 72% | 0.72 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 173.3 | -74.6 | 178.9 | -17 | 0 | 0 | 112.8 | M1 I5 K6 Q7 | M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.37Å; Q3-I5 PolarHBondContact O-N 3.28Å; Q3-K6 PolarHBondContact O-N 2.92Å; Q3-Q7 PolarHBondContact O-N 3.4Å |
| 4 | L | 73.7 | Confident | 78.2 | Confident | 65 Ų | 65 | 94.5 Ų | 94.5 | 34% | 0.34 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 177.2 | -68.4 | 167.9 | 0 | 0 | 0 | 111.7 | M1 Q7 A8 L23 L27 | M1-L4 PolarHBondContact O-N 3.09Å; L4-Q7 PolarHBondContact O-N 2.87Å; L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 2.93Å; L4-L23 HydrophobicContact CB-CD2 4.41Å; L4-L23 HydrophobicContact CD2-CD2 3.78Å; L4-L27 HydrophobicContact CB-CD1 4.47Å; L4-L27 HydrophobicContact CB-CD2 3.79Å; L4-L27 HydrophobicContact CB-CG 4.45Å; L4-L27 HydrophobicContact CD1-CD2 4.17Å |
| 5 | I | 75.5 | Confident | 78.3 | Confident | 44 Ų | 44 | 98.3 Ų | 98.3 | 23% | 0.226 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 174 | -65.6 | 170 | 0 | 0 | 0 | 111 | M1 Q3 A8 R9 L27 | M1-I5 PolarHBondContact O-N 3.39Å; Q3-I5 PolarHBondContact O-N 3.28Å; I5-A8 PolarHBondContact O-N 3.17Å; I5-R9 WeakPolarHBondContact O-CG 3.36Å; I5-R9 PolarHBondContact O-N 3.48Å; I5-L27 HydrophobicContact CG1-CD1 4.4Å; I5-L27 HydrophobicContact CG1-CD2 4.44Å |
| 6 | K | 81.3 | Confident | 78.7 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 173.7 | -77.3 | -176.7 | 179.2 | -175.4 | 0 | 111.5 | S2 Q3 A8 R9 E10 | S2-K6 WeakPolarHBondContact O-CG 3.43Å; S2-K6 PolarHBondContact O-N 2.85Å; Q3-K6 PolarHBondContact O-N 2.92Å; K6-A8 PolarHBondContact O-N 3.49Å; K6-R9 PolarHBondContact O-N 3.47Å; K6-E10 WeakPolarHBondContact O-CG 3.12Å; K6-E10 PolarHBondContact O-N 2.95Å |
| 7 | Q | 83.3 | Confident | 79 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 174.5 | -78.5 | 178.9 | -21.1 | 0 | 0 | 112.1 | Q3 L4 R9 E10 L11 | Q3-Q7 PolarHBondContact O-N 3.4Å; L4-Q7 PolarHBondContact O-N 2.87Å; Q7-R9 VanDerWaalsContact C-N 3.3Å; Q7-R9 PolarHBondContact O-N 3.33Å; Q7-E10 PolarHBondContact O-N 3.2Å; Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 WeakPolarHBondContact O-CG 3.35Å; Q7-L11 PolarHBondContact O-N 3.47Å |
| 8 | A | 79.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 98.4 Ų | 98.4 | 3% | 0.033 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L4 I5 K6 L11 Y12 C20 T24 L27 | L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 2.93Å; I5-A8 PolarHBondContact O-N 3.17Å; K6-A8 PolarHBondContact O-N 3.49Å; A8-L11 PolarHBondContact O-N 3.29Å; A8-Y12 WeakPolarHBondContact O-CB 3.21Å; A8-Y12 PolarHBondContact O-N 3.16Å; A8-C20 PolarHBondContact O-SG 3.26Å; A8-T24 HydrophobicContact CB-CG2 4.21Å; A8-L27 HydrophobicContact CB-CD1 4.23Å |
| 9 | R | 80.9 | Confident | 79.3 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | 175 | -72.9 | 177.5 | 179.8 | -176.3 | 0.8 | 112.9 | I5 K6 Q7 K13 M39 | I5-R9 WeakPolarHBondContact O-CG 3.36Å; I5-R9 PolarHBondContact O-N 3.48Å; K6-R9 PolarHBondContact O-N 3.47Å; Q7-R9 VanDerWaalsContact C-N 3.3Å; Q7-R9 PolarHBondContact O-N 3.33Å; R9-K13 WeakPolarHBondContact O-CG 3.24Å; R9-K13 PolarHBondContact O-N 3.04Å; R9-M39 HydrophobicContact CG-CE 4.25Å |
| 10 | E | 84.6 | Confident | 79.5 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.7 | -41.9 | 175.5 | -75.5 | 175.1 | -178.2 | 0 | 0 | 111.6 | K6 Q7 Y12 K13 A14 | K6-E10 WeakPolarHBondContact O-CG 3.12Å; K6-E10 PolarHBondContact O-N 2.95Å; Q7-E10 PolarHBondContact O-N 3.2Å; E10-Y12 PolarHBondContact O-N 3.32Å; E10-K13 CarbonylContact O-C 3.59Å; E10-K13 PolarHBondContact O-N 3.45Å; E10-A14 VanDerWaalsContact O-CB 3.3Å; E10-A14 WeakPolarHBondContact O-CB 3.42Å; E10-A14 PolarHBondContact O-N 3.41Å |
| 11 | L | 84.8 | Confident | 79.7 | Confident | 29 Ų | 29 | 92.8 Ų | 92.8 | 15% | 0.152 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.7 | -72.4 | 171.6 | 0 | 0 | 0 | 112.4 | Q7 A8 A14 E15 K16 E19 C20 L23 | Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 WeakPolarHBondContact O-CG 3.35Å; Q7-L11 PolarHBondContact O-N 3.47Å; A8-L11 PolarHBondContact O-N 3.29Å; L11-A14 CarbonylContact O-C 3.53Å; L11-A14 PolarHBondContact O-N 3.16Å; L11-E15 PolarHBondContact O-N 3.4Å; L11-K16 HydrophobicContact CD2-CB 4.2Å; L11-K16 HydrophobicContact CD2-CD 4.06Å; L11-K16 PolarHBondContact O-N 2.96Å; L11-E19 HydrophobicContact CD1-CB 4.32Å; L11-E19 HydrophobicContact CD2-CB 4.38Å; L11-C20 HydrophobicContact CB-CB 3.91Å; L11-L23 HydrophobicContact CD1-CD1 3.31Å |
| 12 | Y | 83.3 | Confident | 81 | Confident | 71 Ų | 71 | 94.6 Ų | 94.6 | 28% | 0.278 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.3 | -170.4 | -93.1 | 0 | 0 | 0 | 111.7 | A8 E10 A14 E15 F17 M39 A42 | A8-Y12 WeakPolarHBondContact O-CB 3.21Å; A8-Y12 PolarHBondContact O-N 3.16Å; E10-Y12 PolarHBondContact O-N 3.32Å; Y12-A14 VanDerWaalsContact C-N 3.29Å; Y12-A14 PolarHBondContact O-N 2.74Å; Y12-E15 PolarHBondContact O-N 3.13Å; Y12-F17 HydrophobicContact CD2-CD1 4.07Å; Y12-F17 HydrophobicContact CD2-CE1 4.03Å; Y12-F17 HydrophobicContact CE2-CD1 4.08Å; Y12-F17 AromaticContact CE2-CE1 3.87Å; Y12-F17 HydrophobicContact CE2-CE1 3.87Å; Y12-M39 HydrophobicContact CD1-CE 4.2Å; Y12-M39 HydrophobicContact CD2-CE 4.03Å; Y12-M39 HydrophobicContact CG-CE 3.61Å; Y12-M39 HydrophobicContact CG-SD 4.45Å; Y12-A42 HydrophobicContact CE2-CB 3.9Å |
| 13 | K | 81.5 | Confident | 81.5 | Confident | 180 Ų | 180 | 91.9 Ų | 91.9 | 78% | 0.783 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.7 | -29.4 | 174.4 | -76.8 | -176.7 | 177.9 | -172 | 0 | 113.2 | R9 E10 E15 | R9-K13 WeakPolarHBondContact O-CG 3.24Å; R9-K13 PolarHBondContact O-N 3.04Å; E10-K13 CarbonylContact O-C 3.59Å; E10-K13 PolarHBondContact O-N 3.45Å; K13-E15 PolarHBondContact O-N 3.22Å |
| 14 | A | 83.2 | Confident | 81.7 | Confident | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 9.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E10 L11 Y12 K16 | E10-A14 VanDerWaalsContact O-CB 3.3Å; E10-A14 WeakPolarHBondContact O-CB 3.42Å; E10-A14 PolarHBondContact O-N 3.41Å; L11-A14 CarbonylContact O-C 3.53Å; L11-A14 PolarHBondContact O-N 3.16Å; Y12-A14 VanDerWaalsContact C-N 3.29Å; Y12-A14 PolarHBondContact O-N 2.74Å; A14-K16 HydrophobicContact CB-CG 4.43Å; A14-K16 PolarHBondContact O-N 2.86Å |
| 15 | E | 80.1 | Confident | 82 | Confident | 152 Ų | 152 | 82.7 Ų | 82.7 | 71% | 0.71 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 17.9 | -179 | -59 | -176.8 | 164.1 | 0 | 0 | 114.9 | L11 Y12 K13 F17 | L11-E15 PolarHBondContact O-N 3.4Å; Y12-E15 PolarHBondContact O-N 3.13Å; K13-E15 PolarHBondContact O-N 3.22Å; E15-F17 VanDerWaalsContact C-N 3.31Å; E15-F17 HydrophobicContact CB-CE2 3.99Å; E15-F17 HydrophobicContact CB-CZ 4.02Å; E15-F17 HydrophobicContact CG-CE2 4.49Å; E15-F17 HydrophobicContact CG-CZ 4.16Å; E15-F17 VanDerWaalsContact O-CD2 3.31Å; E15-F17 WeakPolarHBondContact O-CD2 3.48Å; E15-F17 PolarHBondContact O-N 3.1Å |
| 16 | K | 83.7 | Confident | 82.1 | Confident | 108 Ų | 108 | 86.6 Ų | 86.6 | 47% | 0.47 | 40% | 0.403 | S | S | . | . | trans | -86.1 | 69.3 | 176.8 | -65.8 | -169.6 | 176.6 | -171 | 0 | 110.9 | L11 A14 E18 E19 C20 | L11-K16 HydrophobicContact CD2-CB 4.2Å; L11-K16 HydrophobicContact CD2-CD 4.06Å; L11-K16 PolarHBondContact O-N 2.96Å; A14-K16 HydrophobicContact CB-CG 4.43Å; A14-K16 PolarHBondContact O-N 2.86Å; K16-E18 PolarHBondContact O-N 3.23Å; K16-E19 HydrophobicContact CB-CB 4.44Å; K16-E19 VanDerWaalsContact CD-OE2 3.3Å; K16-E19 WeakPolarHBondContact CD-OE2 3.43Å; K16-E19 IonicContact NZ-OE2 2.71Å; K16-C20 WeakPolarHBondContact O-CB 3.4Å; K16-C20 PolarHBondContact O-N 3.19Å | ||
| 17 | F | 84.1 | Confident | 81.9 | Confident | 50 Ų | 50 | 80.2 Ų | 80.2 | 22% | 0.219 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.1 | -36.1 | -169.3 | -57.2 | -63.1 | 0 | 0 | 0 | 114.6 | Y12 E15 C20 Y21 Q46 I47 | Y12-F17 HydrophobicContact CD2-CD1 4.07Å; Y12-F17 HydrophobicContact CD2-CE1 4.03Å; Y12-F17 HydrophobicContact CE2-CD1 4.08Å; Y12-F17 AromaticContact CE2-CE1 3.87Å; Y12-F17 HydrophobicContact CE2-CE1 3.87Å; E15-F17 VanDerWaalsContact C-N 3.31Å; E15-F17 HydrophobicContact CB-CE2 3.99Å; E15-F17 HydrophobicContact CB-CZ 4.02Å; E15-F17 HydrophobicContact CG-CE2 4.49Å; E15-F17 HydrophobicContact CG-CZ 4.16Å; E15-F17 VanDerWaalsContact O-CD2 3.31Å; E15-F17 WeakPolarHBondContact O-CD2 3.48Å; E15-F17 PolarHBondContact O-N 3.1Å; F17-C20 PolarHBondContact O-N 3.25Å; F17-Y21 VanDerWaalsContact O-CB 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.32Å; F17-Y21 PolarHBondContact O-N 3.38Å; F17-Q46 HydrophobicContact CD1-CB 4.16Å; F17-Q46 HydrophobicContact CD1-CG 4.29Å; F17-Q46 HydrophobicContact CD2-CB 4.04Å; F17-Q46 HydrophobicContact CE1-CB 4.39Å; F17-Q46 HydrophobicContact CE1-CG 4.08Å; F17-Q46 HydrophobicContact CE2-CB 4.27Å; F17-Q46 HydrophobicContact CE2-CG 4.41Å; F17-Q46 HydrophobicContact CG-CB 3.99Å; F17-Q46 HydrophobicContact CZ-CB 4.44Å; F17-Q46 HydrophobicContact CZ-CG 4.15Å; F17-I47 HydrophobicContact CB-CG1 4.31Å |
| 18 | E | 83.6 | Confident | 81.5 | Confident | 139 Ų | 139 | 76.9 Ų | 76.9 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.2 | -42.6 | 178.3 | -71.7 | -169.5 | 171.6 | 0 | 0 | 113 | K16 C20 Y21 K22 | K16-E18 PolarHBondContact O-N 3.23Å; E18-C20 VanDerWaalsContact C-N 3.35Å; E18-Y21 PolarHBondContact O-N 3.44Å; E18-K22 PolarHBondContact O-N 3.38Å |
| 19 | E | 81.2 | Confident | 81.3 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 174.7 | -70.4 | -179.3 | -177.6 | 0 | 0 | 110.2 | L11 K16 Y21 K22 L23 | L11-E19 HydrophobicContact CD1-CB 4.32Å; L11-E19 HydrophobicContact CD2-CB 4.38Å; K16-E19 HydrophobicContact CB-CB 4.44Å; K16-E19 VanDerWaalsContact CD-OE2 3.3Å; K16-E19 WeakPolarHBondContact CD-OE2 3.43Å; K16-E19 IonicContact NZ-OE2 2.71Å; E19-Y21 VanDerWaalsContact C-N 3.33Å; E19-Y21 PolarHBondContact O-N 3.42Å; E19-K22 PolarHBondContact O-N 3.24Å; E19-L23 WeakPolarHBondContact O-CB 3.4Å; E19-L23 PolarHBondContact O-N 3.12Å |
| 20 | C | 82.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.3 | -167.1 | 0 | 0 | 0 | 0 | 112 | A8 L11 K16 F17 E18 L23 T24 C43 | A8-C20 PolarHBondContact O-SG 3.26Å; L11-C20 HydrophobicContact CB-CB 3.91Å; K16-C20 WeakPolarHBondContact O-CB 3.4Å; K16-C20 PolarHBondContact O-N 3.19Å; F17-C20 PolarHBondContact O-N 3.25Å; E18-C20 VanDerWaalsContact C-N 3.35Å; C20-L23 PolarHBondContact O-N 2.72Å; C20-T24 WeakPolarHBondContact O-CB 3.49Å; C20-T24 VanDerWaalsContact O-CG2 3.27Å; C20-T24 WeakPolarHBondContact O-CG2 3.35Å; C20-T24 PolarHBondContact O-N 3.17Å; C20-T24 PolarHBondContact O-OG1 3.41Å; C20-C43 PolarHBondContact SG-SG 3.34Å |
| 21 | Y | 83.1 | Confident | 79.6 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 28% | 0.282 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.2 | 173.1 | -102 | 0 | 0 | 0 | 111.9 | F17 E18 E19 T24 G25 H40 C44 I47 E52 | F17-Y21 VanDerWaalsContact O-CB 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.32Å; F17-Y21 PolarHBondContact O-N 3.38Å; E18-Y21 PolarHBondContact O-N 3.44Å; E19-Y21 VanDerWaalsContact C-N 3.33Å; E19-Y21 PolarHBondContact O-N 3.42Å; Y21-T24 WeakPolarHBondContact CA-OG1 3.49Å; Y21-T24 PolarHBondContact O-N 3.2Å; Y21-T24 PolarHBondContact O-OG1 3.31Å; Y21-G25 PolarHBondContact O-N 2.9Å; Y21-H40 AromaticContact CD2-CE1 3.46Å; Y21-H40 VanDerWaalsContact CD2-CE1 3.46Å; Y21-H40 WeakPolarHBondContact CD2-CE1 3.45Å; Y21-H40 AromaticContact CD2-ND1 3.82Å; Y21-H40 AromaticContact CE2-CE1 3.14Å; Y21-H40 WeakPolarHBondContact CE2-CE1 3.33Å; Y21-H40 AromaticContact CE2-ND1 3.95Å; Y21-H40 AromaticContact CE2-NE2 3.61Å; Y21-H40 AromaticContact CZ-CE1 3.99Å; Y21-C44 WeakPolarHBondContact CE2-SG 3.41Å; Y21-I47 HydrophobicContact CD1-CD1 4.43Å; Y21-I47 HydrophobicContact CD2-CD1 4.24Å; Y21-I47 HydrophobicContact CG-CD1 3.84Å; Y21-E52 PolarHBondContact OH-OE2 3.31Å |
| 22 | K | 83.7 | Confident | 79 | Confident | 147 Ų | 147 | 82.6 Ų | 82.6 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 175.1 | -71.3 | 179.8 | -177.9 | 174.2 | 0 | 111.8 | E18 E19 T24 G25 E26 | E18-K22 PolarHBondContact O-N 3.38Å; E19-K22 PolarHBondContact O-N 3.24Å; K22-T24 PolarHBondContact O-N 2.96Å; K22-G25 PolarHBondContact O-N 3.02Å; K22-E26 PolarHBondContact O-N 3.31Å |
| 23 | L | 81.7 | Confident | 78.9 | Confident | 31 Ų | 31 | 82.8 Ų | 82.8 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 179.5 | -117.3 | 157 | 0 | 0 | 0 | 112.5 | L4 L11 E19 C20 E26 L27 | L4-L23 HydrophobicContact CB-CD2 4.41Å; L4-L23 HydrophobicContact CD2-CD2 3.78Å; L11-L23 HydrophobicContact CD1-CD1 3.31Å; E19-L23 WeakPolarHBondContact O-CB 3.4Å; E19-L23 PolarHBondContact O-N 3.12Å; C20-L23 PolarHBondContact O-N 2.72Å; L23-E26 PolarHBondContact O-N 2.99Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 3.09Å |
| 24 | T | 80.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | A8 C20 Y21 K22 L27 L28 M39 H40 | A8-T24 HydrophobicContact CB-CG2 4.21Å; C20-T24 WeakPolarHBondContact O-CB 3.49Å; C20-T24 VanDerWaalsContact O-CG2 3.27Å; C20-T24 WeakPolarHBondContact O-CG2 3.35Å; C20-T24 PolarHBondContact O-N 3.17Å; C20-T24 PolarHBondContact O-OG1 3.41Å; Y21-T24 WeakPolarHBondContact CA-OG1 3.49Å; Y21-T24 PolarHBondContact O-N 3.2Å; Y21-T24 PolarHBondContact O-OG1 3.31Å; K22-T24 PolarHBondContact O-N 2.96Å; T24-L27 WeakPolarHBondContact O-CB 3.45Å; T24-L27 PolarHBondContact O-N 2.84Å; T24-L28 VanDerWaalsContact O-CG 3.25Å; T24-L28 WeakPolarHBondContact O-CG 3.32Å; T24-L28 PolarHBondContact O-N 3.21Å; T24-M39 HydrophobicContact CG2-CB 4.28Å; T24-H40 PolarHBondContact OG1-ND1 2.95Å |
| 25 | G | 79.9 | Confident | 78.7 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y21 K22 L27 L28 V29 | Y21-G25 PolarHBondContact O-N 2.9Å; K22-G25 PolarHBondContact O-N 3.02Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-L27 PolarHBondContact O-N 3.26Å; G25-L28 PolarHBondContact O-N 3.31Å; G25-V29 PolarHBondContact O-N 3.48Å |
| 26 | E | 78.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 67.8 Ų | 67.8 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 174.2 | -72.1 | 178.4 | -175.3 | 0 | 0 | 112.6 | K22 L23 L28 V29 N30 | K22-E26 PolarHBondContact O-N 3.31Å; L23-E26 PolarHBondContact O-N 2.99Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-V29 PolarHBondContact O-N 3.21Å; E26-N30 PolarHBondContact O-ND2 3.19Å |
| 27 | L | 76.9 | Confident | 78.7 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 174.5 | -75.6 | 167.3 | 0 | 0 | 0 | 112.2 | M1 L4 I5 A8 L23 T24 G25 V29 N30 S31 T36 | M1-L27 HydrophobicContact SD-CD2 4.05Å; L4-L27 HydrophobicContact CB-CD1 4.47Å; L4-L27 HydrophobicContact CB-CD2 3.79Å; L4-L27 HydrophobicContact CB-CG 4.45Å; L4-L27 HydrophobicContact CD1-CD2 4.17Å; I5-L27 HydrophobicContact CG1-CD1 4.4Å; I5-L27 HydrophobicContact CG1-CD2 4.44Å; A8-L27 HydrophobicContact CB-CD1 4.23Å; L23-L27 WeakPolarHBondContact O-CB 3.44Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 3.09Å; T24-L27 WeakPolarHBondContact O-CB 3.45Å; T24-L27 PolarHBondContact O-N 2.84Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-L27 PolarHBondContact O-N 3.26Å; L27-V29 VanDerWaalsContact C-N 3.3Å; L27-V29 PolarHBondContact O-N 2.98Å; L27-N30 PolarHBondContact O-N 3.49Å; L27-N30 VanDerWaalsContact O-N 3.16Å; L27-S31 PolarHBondContact O-N 3.26Å; L27-S31 VanDerWaalsContact O-O 3.1Å; L27-S31 PolarHBondContact O-OG 3.43Å; L27-T36 HydrophobicContact CB-CG2 3.56Å; L27-T36 HydrophobicContact CD1-CG2 4.32Å |
| 28 | L | 74.5 | Confident | 78.7 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -25.8 | 179.2 | -73.6 | 174.8 | 0 | 0 | 0 | 113.6 | T24 G25 E26 N30 T36 L37 H40 | T24-L28 VanDerWaalsContact O-CG 3.25Å; T24-L28 WeakPolarHBondContact O-CG 3.32Å; T24-L28 PolarHBondContact O-N 3.21Å; G25-L28 PolarHBondContact O-N 3.31Å; E26-L28 VanDerWaalsContact C-N 3.34Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-T36 HydrophobicContact CD2-CG2 3.86Å; L28-T36 HydrophobicContact CG-CG2 4.02Å; L28-L37 HydrophobicContact CD1-CD2 4.07Å; L28-L37 HydrophobicContact CD2-CB 4.45Å; L28-L37 HydrophobicContact CD2-CD2 3.32Å; L28-L37 HydrophobicContact CD2-CG 3.5Å; L28-L37 HydrophobicContact CG-CD2 4.35Å; L28-H40 HydrophobicContact CD1-CB 3.76Å; L28-H40 VanDerWaalsContact CD1-CD2 3.4Å; L28-H40 WeakPolarHBondContact CD1-CD2 3.36Å; L28-H40 VanDerWaalsContact CD1-CG 3.41Å |
| 29 | V | 74.4 | Confident | 78.7 | Confident | 124 Ų | 124 | 56.8 Ų | 56.8 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.6 | -36.1 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | G25 E26 L27 | G25-V29 PolarHBondContact O-N 3.48Å; E26-V29 PolarHBondContact O-N 3.21Å; L27-V29 VanDerWaalsContact C-N 3.3Å; L27-V29 PolarHBondContact O-N 2.98Å |
| 30 | N | 65.4 | Low | 78.8 | Confident | 130 Ų | 130 | 52.7 Ų | 52.7 | 70% | 0.695 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -93.7 | -29.9 | -173.5 | -69.4 | -38.9 | 0 | 0 | 0 | 114.3 | E26 L27 L28 | E26-N30 PolarHBondContact O-ND2 3.19Å; L27-N30 PolarHBondContact O-N 3.49Å; L27-N30 VanDerWaalsContact O-N 3.16Å; L28-N30 VanDerWaalsContact C-N 3.31Å |
| 31 | S | 65.5 | Low | 79 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | trans | -156.5 | 121.5 | 178.9 | 56 | 0 | 0 | 0 | 0 | 110.7 | M1 L27 D33 | M1-S31 WeakPolarHBondContact CE-OG 3.29Å; L27-S31 PolarHBondContact O-N 3.26Å; L27-S31 VanDerWaalsContact O-O 3.1Å; L27-S31 PolarHBondContact O-OG 3.43Å; S31-D33 PolarHBondContact O-N 2.92Å; S31-D33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | K | 72.3 | Confident | 79 | Confident | 161 Ų | 161 | 49.9 Ų | 49.9 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | trans | -83.8 | 62.9 | 170.6 | -66.6 | -175.3 | -179.7 | 179.4 | 0 | 110.3 | I63 | K32-I63 HydrophobicContact CB-CD1 4.45Å; K32-I63 WeakPolarHBondContact O-CD1 3.18Å | ||
| 33 | D | 80 | Confident | 79 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 40% | 0.401 | 24% | 0.237 | S | C | . | . | trans | -80.5 | 141.8 | 176.3 | -68.3 | -12.1 | 0 | 0 | 0 | 110.6 | S31 G35 T36 L37 | S31-D33 PolarHBondContact O-N 2.92Å; S31-D33 VanDerWaalsContact O-N 3.07Å; D33-G35 VanDerWaalsContact C-N 3.31Å; D33-G35 PolarHBondContact O-N 2.93Å; D33-T36 PolarHBondContact O-N 3.04Å; D33-L37 PolarHBondContact O-N 3.25Å; D33-L37 VanDerWaalsContact O-N 3.15Å | ||
| 34 | Y | 80.8 | Confident | 79.1 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -49.3 | -48.7 | -179.5 | 176.2 | -88.2 | 0 | 0 | 0 | 112.8 | T36 L37 V38 A60 D64 N67 A70 | Y34-T36 VanDerWaalsContact C-N 3.31Å; Y34-T36 PolarHBondContact O-N 3.2Å; Y34-L37 PolarHBondContact O-N 2.92Å; Y34-V38 HydrophobicContact CD1-CG2 4.1Å; Y34-V38 HydrophobicContact CE1-CG2 3.57Å; Y34-V38 HydrophobicContact CE2-CG2 4.18Å; Y34-V38 WeakPolarHBondContact O-CG2 3.5Å; Y34-V38 PolarHBondContact O-N 3.39Å; Y34-A60 HydrophobicContact CD2-CB 4.11Å; Y34-A60 VanDerWaalsContact CD2-O 3.26Å; Y34-A60 WeakPolarHBondContact CD2-O 3.5Å; Y34-A60 HydrophobicContact CE2-CB 4.06Å; Y34-D64 HydrophobicContact CD2-CB 3.69Å; Y34-D64 HydrophobicContact CE2-CB 4.07Å; Y34-D64 WeakPolarHBondContact CE2-O 3.39Å; Y34-D64 HydrophobicContact CG-CB 4.31Å; Y34-N67 HydrophobicContact CE1-CB 3.82Å; Y34-N67 VanDerWaalsContact CE1-CG 3.41Å; Y34-N67 WeakPolarHBondContact CE1-ND2 3.18Å; Y34-N67 HydrophobicContact CE2-CB 4.1Å; Y34-N67 VanDerWaalsContact CZ-CB 3.47Å; Y34-N67 VanDerWaalsContact OH-CB 3.25Å; Y34-N67 WeakPolarHBondContact OH-CB 3.33Å; Y34-N67 VanDerWaalsContact OH-CG 3.28Å; Y34-N67 PolarHBondContact OH-O 3.33Å; Y34-N67 VanDerWaalsContact OH-O 3.12Å; Y34-A70 HydrophobicContact CE2-CB 4.17Å; Y34-A70 WeakPolarHBondContact OH-CB 3.46Å; Y34-A70 PolarHBondContact OH-N 2.94Å; Y34-A70 VanDerWaalsContact OH-N 3.16Å |
| 35 | G | 79.9 | Confident | 79.2 | Confident | 40 Ų | 40 | 42 Ų | 42 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -34.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D33 M39 | D33-G35 VanDerWaalsContact C-N 3.31Å; D33-G35 PolarHBondContact O-N 2.93Å; G35-M39 WeakPolarHBondContact O-CB 3.33Å; G35-M39 VanDerWaalsContact O-CG 3.24Å; G35-M39 WeakPolarHBondContact O-CG 2.86Å; G35-M39 PolarHBondContact O-N 2.92Å; G35-M39 VanDerWaalsContact O-N 3.14Å |
| 36 | T | 81 | Confident | 79.4 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.8 | -41.3 | 177.7 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | L27 L28 D33 Y34 M39 H40 | L27-T36 HydrophobicContact CB-CG2 3.56Å; L27-T36 HydrophobicContact CD1-CG2 4.32Å; L28-T36 HydrophobicContact CD2-CG2 3.86Å; L28-T36 HydrophobicContact CG-CG2 4.02Å; D33-T36 PolarHBondContact O-N 3.04Å; Y34-T36 VanDerWaalsContact C-N 3.31Å; Y34-T36 PolarHBondContact O-N 3.2Å; T36-M39 PolarHBondContact O-N 3.12Å; T36-H40 WeakPolarHBondContact O-CB 3.49Å; T36-H40 PolarHBondContact O-N 3.1Å |
| 37 | L | 84.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.4 | -75.9 | 163.5 | 0 | 0 | 0 | 113.1 | L28 D33 Y34 H40 G41 A60 I63 | L28-L37 HydrophobicContact CD1-CD2 4.07Å; L28-L37 HydrophobicContact CD2-CB 4.45Å; L28-L37 HydrophobicContact CD2-CD2 3.32Å; L28-L37 HydrophobicContact CD2-CG 3.5Å; L28-L37 HydrophobicContact CG-CD2 4.35Å; D33-L37 PolarHBondContact O-N 3.25Å; D33-L37 VanDerWaalsContact O-N 3.15Å; Y34-L37 PolarHBondContact O-N 2.92Å; L37-H40 PolarHBondContact O-N 3.07Å; L37-G41 PolarHBondContact O-N 2.8Å; L37-A60 HydrophobicContact CB-CB 3.81Å; L37-I63 HydrophobicContact CD1-CD1 3.22Å |
| 38 | V | 83.5 | Confident | 79.7 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | Y34 G41 A42 Y57 A60 M69 A70 | Y34-V38 HydrophobicContact CD1-CG2 4.1Å; Y34-V38 HydrophobicContact CE1-CG2 3.57Å; Y34-V38 HydrophobicContact CE2-CG2 4.18Å; Y34-V38 WeakPolarHBondContact O-CG2 3.5Å; Y34-V38 PolarHBondContact O-N 3.39Å; V38-G41 PolarHBondContact O-N 3.34Å; V38-A42 WeakPolarHBondContact O-CB 3.32Å; V38-A42 PolarHBondContact O-N 2.85Å; V38-Y57 HydrophobicContact CG1-CE1 4.44Å; V38-A60 HydrophobicContact CG2-CB 3.74Å; V38-M69 HydrophobicContact CG1-CB 3.98Å; V38-A70 HydrophobicContact CG2-CB 3.92Å |
| 39 | M | 82.7 | Confident | 80 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175 | -73.6 | -71.8 | -66.6 | 0 | 0 | 111.3 | R9 Y12 T24 G35 T36 G41 A42 C43 | R9-M39 HydrophobicContact CG-CE 4.25Å; Y12-M39 HydrophobicContact CD1-CE 4.2Å; Y12-M39 HydrophobicContact CD2-CE 4.03Å; Y12-M39 HydrophobicContact CG-CE 3.61Å; Y12-M39 HydrophobicContact CG-SD 4.45Å; T24-M39 HydrophobicContact CG2-CB 4.28Å; G35-M39 WeakPolarHBondContact O-CB 3.33Å; G35-M39 VanDerWaalsContact O-CG 3.24Å; G35-M39 WeakPolarHBondContact O-CG 2.86Å; G35-M39 PolarHBondContact O-N 2.92Å; G35-M39 VanDerWaalsContact O-N 3.14Å; T36-M39 PolarHBondContact O-N 3.12Å; M39-G41 PolarHBondContact O-N 3.29Å; M39-A42 PolarHBondContact O-N 3.01Å; M39-C43 PolarHBondContact O-N 3.44Å; M39-C43 PolarHBondContact O-SG 3.42Å |
| 40 | H | 84.4 | Confident | 80.2 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.6 | -169.5 | 71.2 | 0 | 0 | 0 | 111.6 | Y21 T24 L28 T36 L37 A42 C43 C44 S56 | Y21-H40 AromaticContact CD2-CE1 3.46Å; Y21-H40 VanDerWaalsContact CD2-CE1 3.46Å; Y21-H40 WeakPolarHBondContact CD2-CE1 3.45Å; Y21-H40 AromaticContact CD2-ND1 3.82Å; Y21-H40 AromaticContact CE2-CE1 3.14Å; Y21-H40 WeakPolarHBondContact CE2-CE1 3.33Å; Y21-H40 AromaticContact CE2-ND1 3.95Å; Y21-H40 AromaticContact CE2-NE2 3.61Å; Y21-H40 AromaticContact CZ-CE1 3.99Å; T24-H40 PolarHBondContact OG1-ND1 2.95Å; L28-H40 HydrophobicContact CD1-CB 3.76Å; L28-H40 VanDerWaalsContact CD1-CD2 3.4Å; L28-H40 WeakPolarHBondContact CD1-CD2 3.36Å; L28-H40 VanDerWaalsContact CD1-CG 3.41Å; T36-H40 WeakPolarHBondContact O-CB 3.49Å; T36-H40 PolarHBondContact O-N 3.1Å; L37-H40 PolarHBondContact O-N 3.07Å; H40-A42 VanDerWaalsContact C-N 3.34Å; H40-A42 PolarHBondContact O-N 3.09Å; H40-C43 WeakPolarHBondContact O-CB 3.49Å; H40-C43 PolarHBondContact O-N 3.12Å; H40-C44 PolarHBondContact O-N 3.06Å; H40-C44 PolarHBondContact O-SG 3.46Å; H40-S56 PolarHBondContact CD2-OG 2.7Å |
| 41 | G | 85.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L37 V38 M39 C44 S45 | L37-G41 PolarHBondContact O-N 2.8Å; V38-G41 PolarHBondContact O-N 3.34Å; M39-G41 PolarHBondContact O-N 3.29Å; G41-C44 PolarHBondContact O-N 2.59Å; G41-S45 PolarHBondContact O-N 3.34Å |
| 42 | A | 84.4 | Confident | 81.6 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -36 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y12 V38 M39 H40 Q46 Y57 | Y12-A42 HydrophobicContact CE2-CB 3.9Å; V38-A42 WeakPolarHBondContact O-CB 3.32Å; V38-A42 PolarHBondContact O-N 2.85Å; M39-A42 PolarHBondContact O-N 3.01Å; H40-A42 VanDerWaalsContact C-N 3.34Å; H40-A42 PolarHBondContact O-N 3.09Å; A42-Q46 WeakPolarHBondContact O-CG 3.44Å; A42-Q46 PolarHBondContact O-N 3.49Å; A42-Y57 WeakPolarHBondContact CA-OH 3.42Å; A42-Y57 PolarHBondContact N-OH 2.83Å |
| 43 | C | 82.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 170.8 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | C20 M39 H40 S45 Q46 I47 | C20-C43 PolarHBondContact SG-SG 3.34Å; M39-C43 PolarHBondContact O-N 3.44Å; M39-C43 PolarHBondContact O-SG 3.42Å; H40-C43 WeakPolarHBondContact O-CB 3.49Å; H40-C43 PolarHBondContact O-N 3.12Å; C43-S45 VanDerWaalsContact C-N 3.3Å; C43-S45 PolarHBondContact O-N 2.88Å; C43-Q46 PolarHBondContact O-N 3.11Å; C43-Q46 VanDerWaalsContact O-N 3.15Å; C43-I47 WeakPolarHBondContact O-CG1 3.08Å; C43-I47 PolarHBondContact O-N 2.98Å |
| 44 | C | 83.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 178.6 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | Y21 H40 G41 Q46 I47 G48 N49 E52 A53 | Y21-C44 WeakPolarHBondContact CE2-SG 3.41Å; H40-C44 PolarHBondContact O-N 3.06Å; H40-C44 PolarHBondContact O-SG 3.46Å; G41-C44 PolarHBondContact O-N 2.59Å; C44-Q46 VanDerWaalsContact C-N 3.33Å; C44-Q46 PolarHBondContact O-N 2.88Å; C44-I47 PolarHBondContact O-N 2.95Å; C44-G48 PolarHBondContact O-N 3.32Å; C44-N49 PolarHBondContact O-N 3.23Å; C44-E52 HydrophobicContact CB-CB 4.41Å; C44-A53 HydrophobicContact CB-CB 3.8Å |
| 45 | S | 84 | Confident | 82.2 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | G41 C43 G48 E77 K80 | G41-S45 PolarHBondContact O-N 3.34Å; C43-S45 VanDerWaalsContact C-N 3.3Å; C43-S45 PolarHBondContact O-N 2.88Å; S45-G48 PolarHBondContact O-N 2.76Å; S45-E77 WeakPolarHBondContact CA-OE1 3.49Å; S45-E77 WeakPolarHBondContact CB-OE2 3.36Å; S45-E77 VanDerWaalsContact OG-CD 3.27Å; S45-E77 PolarHBondContact OG-OE2 3.19Å; S45-K80 PolarHBondContact OG-NZ 3.4Å |
| 46 | Q | 82.3 | Confident | 82.3 | Confident | 111 Ų | 111 | 38.1 Ų | 38.1 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -76.9 | -30.6 | 177.1 | -65.1 | -62.2 | -12.7 | 0 | 0 | 112.9 | F17 A42 C43 C44 G48 | F17-Q46 HydrophobicContact CD1-CB 4.16Å; F17-Q46 HydrophobicContact CD1-CG 4.29Å; F17-Q46 HydrophobicContact CD2-CB 4.04Å; F17-Q46 HydrophobicContact CE1-CB 4.39Å; F17-Q46 HydrophobicContact CE1-CG 4.08Å; F17-Q46 HydrophobicContact CE2-CB 4.27Å; F17-Q46 HydrophobicContact CE2-CG 4.41Å; F17-Q46 HydrophobicContact CG-CB 3.99Å; F17-Q46 HydrophobicContact CZ-CB 4.44Å; F17-Q46 HydrophobicContact CZ-CG 4.15Å; A42-Q46 WeakPolarHBondContact O-CG 3.44Å; A42-Q46 PolarHBondContact O-N 3.49Å; C43-Q46 PolarHBondContact O-N 3.11Å; C43-Q46 VanDerWaalsContact O-N 3.15Å; C44-Q46 VanDerWaalsContact C-N 3.33Å; C44-Q46 PolarHBondContact O-N 2.88Å; Q46-G48 PolarHBondContact O-N 3.5Å |
| 47 | I | 82.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.5 | -15.5 | 173.3 | -65.5 | 166.8 | 0 | 0 | 0 | 111.5 | F17 Y21 C43 C44 | F17-I47 HydrophobicContact CB-CG1 4.31Å; Y21-I47 HydrophobicContact CD1-CD1 4.43Å; Y21-I47 HydrophobicContact CD2-CD1 4.24Å; Y21-I47 HydrophobicContact CG-CD1 3.84Å; C43-I47 WeakPolarHBondContact O-CG1 3.08Å; C43-I47 PolarHBondContact O-N 2.98Å; C44-I47 PolarHBondContact O-N 2.95Å |
| 48 | G | 79.8 | Confident | 82.4 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 62% | 0.619 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 12.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C44 S45 Q46 E50 | C44-G48 PolarHBondContact O-N 3.32Å; S45-G48 PolarHBondContact O-N 2.76Å; Q46-G48 PolarHBondContact O-N 3.5Å; G48-E50 PolarHBondContact O-N 2.81Å; G48-E50 VanDerWaalsContact O-N 3.14Å |
| 49 | N | 81.7 | Confident | 82.2 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | trans | -87 | 75.8 | 174.3 | -160.6 | -6.1 | 0 | 0 | 0 | 111.3 | C44 K51 E52 A53 | C44-N49 PolarHBondContact O-N 3.23Å; N49-K51 VanDerWaalsContact C-N 3.32Å; N49-K51 PolarHBondContact O-N 3.26Å; N49-E52 HydrophobicContact CB-CB 4.39Å; N49-E52 PolarHBondContact ND2-OE2 2.87Å; N49-E52 PolarHBondContact O-N 3.28Å; N49-A53 WeakPolarHBondContact O-CB 3.28Å; N49-A53 PolarHBondContact O-N 3.41Å | ||
| 50 | E | 78.1 | Confident | 82.1 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -53.3 | -43.5 | -174.6 | -174.5 | -176.3 | -176.5 | 0 | 0 | 113 | G48 A53 I54 E77 S81 N85 | G48-E50 PolarHBondContact O-N 2.81Å; G48-E50 VanDerWaalsContact O-N 3.14Å; E50-A53 PolarHBondContact O-N 2.96Å; E50-I54 HydrophobicContact CG-CD1 3.98Å; E50-I54 WeakPolarHBondContact O-CB 3.43Å; E50-I54 VanDerWaalsContact O-CG1 3.31Å; E50-I54 WeakPolarHBondContact O-CG1 3.46Å; E50-I54 PolarHBondContact O-N 3.4Å; E50-E77 HydrophobicContact CG-CG 4.32Å; E50-S81 PolarHBondContact OE1-OG 3.37Å; E50-N85 PolarHBondContact OE1-ND2 3.06Å |
| 51 | K | 79.5 | Confident | 82 | Confident | 126 Ų | 126 | 36.6 Ų | 36.6 | 55% | 0.548 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.4 | -42.3 | -177.7 | -67.2 | -173.7 | -173.2 | -175.8 | 0 | 112.4 | N49 K55 L353 | N49-K51 VanDerWaalsContact C-N 3.32Å; N49-K51 PolarHBondContact O-N 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 VanDerWaalsContact O-CG 3.28Å; K51-K55 WeakPolarHBondContact O-CG 3.13Å; K51-K55 PolarHBondContact O-N 3.35Å; K51-K55 VanDerWaalsContact O-N 3.07Å; K51-L353 HydrophobicContact CD-CD1 4.1Å |
| 52 | E | 80.5 | Confident | 81.6 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.2 | -35.9 | 177.2 | -80 | -176.8 | 174 | 0 | 0 | 111.7 | Y21 C44 N49 K55 S56 | Y21-E52 PolarHBondContact OH-OE2 3.31Å; C44-E52 HydrophobicContact CB-CB 4.41Å; N49-E52 HydrophobicContact CB-CB 4.39Å; N49-E52 PolarHBondContact ND2-OE2 2.87Å; N49-E52 PolarHBondContact O-N 3.28Å; E52-K55 PolarHBondContact O-N 3.43Å; E52-S56 VanDerWaalsContact O-CB 3.27Å; E52-S56 WeakPolarHBondContact O-CB 3.13Å; E52-S56 PolarHBondContact O-N 2.82Å; E52-S56 PolarHBondContact O-OG 2.87Å |
| 53 | A | 82.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | C44 N49 E50 K55 S56 Y57 E77 | C44-A53 HydrophobicContact CB-CB 3.8Å; N49-A53 WeakPolarHBondContact O-CB 3.28Å; N49-A53 PolarHBondContact O-N 3.41Å; E50-A53 PolarHBondContact O-N 2.96Å; A53-K55 PolarHBondContact O-N 3.4Å; A53-S56 PolarHBondContact O-N 2.99Å; A53-Y57 HydrophobicContact CB-CE2 4.39Å; A53-Y57 WeakPolarHBondContact O-CD2 3.39Å; A53-Y57 PolarHBondContact O-N 3.5Å; A53-E77 HydrophobicContact CB-CG 4.32Å |
| 54 | I | 81.6 | Confident | 81.1 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 178.3 | -69.2 | 171 | 0 | 0 | 0 | 111.2 | E50 S56 Y57 F58 L74 T78 I88 T350 | E50-I54 HydrophobicContact CG-CD1 3.98Å; E50-I54 WeakPolarHBondContact O-CB 3.43Å; E50-I54 VanDerWaalsContact O-CG1 3.31Å; E50-I54 WeakPolarHBondContact O-CG1 3.46Å; E50-I54 PolarHBondContact O-N 3.4Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.99Å; I54-Y57 PolarHBondContact O-N 3.38Å; I54-F58 HydrophobicContact CG2-CD2 3.47Å; I54-F58 VanDerWaalsContact CG2-CD2 3.47Å; I54-F58 HydrophobicContact CG2-CE2 3.38Å; I54-F58 VanDerWaalsContact O-CD2 3.25Å; I54-F58 WeakPolarHBondContact O-CD2 3.38Å; I54-F58 PolarHBondContact O-N 3.14Å; I54-L74 HydrophobicContact CB-CD2 4.4Å; I54-L74 HydrophobicContact CG1-CD2 4.32Å; I54-L74 HydrophobicContact CG2-CD2 4.14Å; I54-T78 HydrophobicContact CD1-CG2 4.41Å; I54-I88 HydrophobicContact CG2-CD1 4.41Å; I54-T350 HydrophobicContact CG2-CG2 4.35Å |
| 55 | K | 81.4 | Confident | 80.7 | Confident | 104 Ų | 104 | 48.8 Ų | 48.8 | 45% | 0.452 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.2 | -76.2 | 176.2 | 179.8 | -176.7 | 0 | 112.7 | K51 E52 A53 F58 S59 | K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 VanDerWaalsContact O-CG 3.28Å; K51-K55 WeakPolarHBondContact O-CG 3.13Å; K51-K55 PolarHBondContact O-N 3.35Å; K51-K55 VanDerWaalsContact O-N 3.07Å; E52-K55 PolarHBondContact O-N 3.43Å; A53-K55 PolarHBondContact O-N 3.4Å; K55-F58 PolarHBondContact O-N 3.47Å; K55-S59 WeakPolarHBondContact O-CB 3.32Å; K55-S59 PolarHBondContact O-N 3.22Å; K55-S59 PolarHBondContact O-OG 3.36Å |
| 56 | S | 81.2 | Confident | 80.3 | Confident | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 112 | H40 E52 A53 I54 S59 A60 | H40-S56 PolarHBondContact CD2-OG 2.7Å; E52-S56 VanDerWaalsContact O-CB 3.27Å; E52-S56 WeakPolarHBondContact O-CB 3.13Å; E52-S56 PolarHBondContact O-N 2.82Å; E52-S56 PolarHBondContact O-OG 2.87Å; A53-S56 PolarHBondContact O-N 2.99Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.99Å; S56-S59 WeakPolarHBondContact CA-OG 3.47Å; S56-S59 PolarHBondContact O-OG 2.9Å; S56-A60 PolarHBondContact O-N 3.21Å |
| 57 | Y | 85.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 174.7 | -66.3 | -53.4 | 0 | 0 | 0 | 113 | V38 A42 A53 I54 S59 A60 L61 A70 L74 | V38-Y57 HydrophobicContact CG1-CE1 4.44Å; A42-Y57 WeakPolarHBondContact CA-OH 3.42Å; A42-Y57 PolarHBondContact N-OH 2.83Å; A53-Y57 HydrophobicContact CB-CE2 4.39Å; A53-Y57 WeakPolarHBondContact O-CD2 3.39Å; A53-Y57 PolarHBondContact O-N 3.5Å; I54-Y57 PolarHBondContact O-N 3.38Å; Y57-S59 VanDerWaalsContact C-N 3.32Å; Y57-S59 PolarHBondContact O-N 3.25Å; Y57-A60 WeakPolarHBondContact O-CB 3.1Å; Y57-A60 PolarHBondContact O-N 2.96Å; Y57-L61 WeakPolarHBondContact O-CG 3.42Å; Y57-L61 PolarHBondContact O-N 2.8Å; Y57-A70 HydrophobicContact CD1-CB 4.5Å; Y57-L74 VanDerWaalsContact CB-CG 3.41Å; Y57-L74 HydrophobicContact CD2-CD2 4.24Å; Y57-L74 HydrophobicContact CD2-CG 4.02Å; Y57-L74 HydrophobicContact CG-CD2 4.5Å; Y57-L74 HydrophobicContact CG-CG 4Å |
| 58 | F | 81.7 | Confident | 80 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.3 | -83.8 | -56.8 | 0 | 0 | 0 | 112.5 | I54 K55 L61 S62 L74 I88 I343 F346 I347 T350 | I54-F58 HydrophobicContact CG2-CD2 3.47Å; I54-F58 VanDerWaalsContact CG2-CD2 3.47Å; I54-F58 HydrophobicContact CG2-CE2 3.38Å; I54-F58 VanDerWaalsContact O-CD2 3.25Å; I54-F58 WeakPolarHBondContact O-CD2 3.38Å; I54-F58 PolarHBondContact O-N 3.14Å; K55-F58 PolarHBondContact O-N 3.47Å; F58-L61 HydrophobicContact CD1-CD1 4.4Å; F58-L61 PolarHBondContact O-N 3.13Å; F58-S62 PolarHBondContact O-N 3.22Å; F58-L74 HydrophobicContact CD1-CD1 4.36Å; F58-L74 HydrophobicContact CD2-CD2 4.45Å; F58-L74 HydrophobicContact CE1-CD1 4.44Å; F58-L74 HydrophobicContact CE2-CD2 4.33Å; F58-I88 HydrophobicContact CE2-CD1 4.48Å; F58-I88 HydrophobicContact CE2-CG2 4.22Å; F58-I88 HydrophobicContact CZ-CG2 3.83Å; F58-I343 HydrophobicContact CD1-CG2 3.54Å; F58-I343 HydrophobicContact CE1-CG2 3.88Å; F58-F346 HydrophobicContact CE1-CB 4.3Å; F58-F346 HydrophobicContact CZ-CB 4.35Å; F58-F346 HydrophobicContact CZ-CD1 4.18Å; F58-I347 HydrophobicContact CB-CD1 4.3Å; F58-I347 HydrophobicContact CB-CG1 3.81Å; F58-I347 HydrophobicContact CG-CG1 4.41Å; F58-T350 HydrophobicContact CE2-CG2 4.19Å |
| 59 | S | 79.8 | Confident | 80.1 | Confident | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | 173.1 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | K55 S56 Y57 L61 S62 I63 | K55-S59 WeakPolarHBondContact O-CB 3.32Å; K55-S59 PolarHBondContact O-N 3.22Å; K55-S59 PolarHBondContact O-OG 3.36Å; S56-S59 WeakPolarHBondContact CA-OG 3.47Å; S56-S59 PolarHBondContact O-OG 2.9Å; Y57-S59 VanDerWaalsContact C-N 3.32Å; Y57-S59 PolarHBondContact O-N 3.25Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 2.91Å; S59-S62 PolarHBondContact O-N 3.25Å; S59-S62 PolarHBondContact O-OG 3.48Å; S59-I63 PolarHBondContact O-N 2.93Å |
| 60 | A | 82 | Confident | 80.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y34 L37 V38 S56 Y57 S62 I63 D64 A70 | Y34-A60 HydrophobicContact CD2-CB 4.11Å; Y34-A60 VanDerWaalsContact CD2-O 3.26Å; Y34-A60 WeakPolarHBondContact CD2-O 3.5Å; Y34-A60 HydrophobicContact CE2-CB 4.06Å; L37-A60 HydrophobicContact CB-CB 3.81Å; V38-A60 HydrophobicContact CG2-CB 3.74Å; S56-A60 PolarHBondContact O-N 3.21Å; Y57-A60 WeakPolarHBondContact O-CB 3.1Å; Y57-A60 PolarHBondContact O-N 2.96Å; A60-S62 VanDerWaalsContact C-N 3.29Å; A60-S62 PolarHBondContact O-N 2.85Å; A60-I63 PolarHBondContact O-N 3.48Å; A60-I63 VanDerWaalsContact O-N 3.11Å; A60-D64 PolarHBondContact O-N 3.21Å; A60-D64 VanDerWaalsContact O-N 3.08Å; A60-A70 HydrophobicContact CB-CB 4.01Å |
| 61 | L | 80.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -28.9 | 177 | -70.7 | 178.5 | 0 | 0 | 0 | 113.8 | Y57 F58 S59 I63 D64 S65 A70 W71 L74 I343 | Y57-L61 WeakPolarHBondContact O-CG 3.42Å; Y57-L61 PolarHBondContact O-N 2.8Å; F58-L61 HydrophobicContact CD1-CD1 4.4Å; F58-L61 PolarHBondContact O-N 3.13Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 2.91Å; L61-I63 PolarHBondContact O-N 3.31Å; L61-D64 CarbonylContact O-C 3.58Å; L61-S65 PolarHBondContact O-N 3.34Å; L61-A70 HydrophobicContact CD2-CB 3.67Å; L61-A70 HydrophobicContact CG-CB 3.85Å; L61-W71 HydrophobicContact CD1-CD2 3.96Å; L61-W71 HydrophobicContact CD1-CE3 4.04Å; L61-W71 HydrophobicContact CD1-CH2 4.01Å; L61-W71 HydrophobicContact CD1-CZ2 3.92Å; L61-W71 HydrophobicContact CD1-CZ3 4.06Å; L61-W71 HydrophobicContact CD2-CD2 3.96Å; L61-W71 HydrophobicContact CD2-CG 3.99Å; L61-W71 HydrophobicContact CD2-CZ2 4.1Å; L61-L74 HydrophobicContact CD1-CD1 3.42Å; L61-L74 VanDerWaalsContact CD1-CD1 3.42Å; L61-L74 HydrophobicContact CG-CD1 4.42Å; L61-I343 HydrophobicContact CB-CG2 4.32Å; L61-I343 HydrophobicContact CD1-CG2 4.43Å |
| 62 | S | 77.6 | Confident | 80.6 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.4 | -21.4 | 174.5 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | F58 S59 A60 | F58-S62 PolarHBondContact O-N 3.22Å; S59-S62 PolarHBondContact O-N 3.25Å; S59-S62 PolarHBondContact O-OG 3.48Å; A60-S62 VanDerWaalsContact C-N 3.29Å; A60-S62 PolarHBondContact O-N 2.85Å |
| 63 | I | 77.9 | Confident | 80.7 | Confident | 88 Ų | 88 | 41.2 Ų | 41.2 | 45% | 0.451 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -92 | -51.5 | 178.9 | -63.1 | 167.3 | 0 | 0 | 0 | 110.5 | K32 L37 S59 A60 L61 | K32-I63 HydrophobicContact CB-CD1 4.45Å; K32-I63 WeakPolarHBondContact O-CD1 3.18Å; L37-I63 HydrophobicContact CD1-CD1 3.22Å; S59-I63 PolarHBondContact O-N 2.93Å; A60-I63 PolarHBondContact O-N 3.48Å; A60-I63 VanDerWaalsContact O-N 3.11Å; L61-I63 PolarHBondContact O-N 3.31Å |
| 64 | D | 78 | Confident | 80.8 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | trans | -139.1 | 102 | 176.2 | 179.2 | 14.8 | 0 | 0 | 0 | 109.7 | Y34 A60 L61 T66 N67 | Y34-D64 HydrophobicContact CD2-CB 3.69Å; Y34-D64 HydrophobicContact CE2-CB 4.07Å; Y34-D64 WeakPolarHBondContact CE2-O 3.39Å; Y34-D64 HydrophobicContact CG-CB 4.31Å; A60-D64 PolarHBondContact O-N 3.21Å; A60-D64 VanDerWaalsContact O-N 3.08Å; L61-D64 CarbonylContact O-C 3.58Å; D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 WeakPolarHBondContact OD1-CB 3.45Å; D64-T66 PolarHBondContact OD1-N 2.99Å; D64-T66 PolarHBondContact OD1-OG1 3.18Å; D64-T66 PolarHBondContact OD2-OG1 3.44Å; D64-N67 WeakPolarHBondContact OD2-CB 3.14Å | ||
| 65 | S | 75.3 | Confident | 81 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77.6 | -13.9 | 177.1 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | L61 W71 K99 | L61-S65 PolarHBondContact O-N 3.34Å; S65-W71 PolarHBondContact O-NE1 3Å; S65-W71 VanDerWaalsContact O-NE1 3.1Å; S65-K99 PolarHBondContact O-NZ 3.07Å |
| 66 | T | 75.6 | Confident | 81.2 | Confident | 102 Ų | 102 | 39.9 Ų | 39.9 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -78 | -34 | -174.8 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | D64 N68 K99 | D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 WeakPolarHBondContact OD1-CB 3.45Å; D64-T66 PolarHBondContact OD1-N 2.99Å; D64-T66 PolarHBondContact OD1-OG1 3.18Å; D64-T66 PolarHBondContact OD2-OG1 3.44Å; T66-N68 PolarHBondContact O-OD1 3.31Å; T66-K99 VanDerWaalsContact C-NZ 3.28Å; T66-K99 PolarHBondContact O-NZ 3.42Å |
| 67 | N | 79.3 | Confident | 81.3 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | trans | -74.2 | 133.5 | -177.9 | -171.9 | -16.3 | 0 | 0 | 0 | 113 | Y34 D64 M69 | Y34-N67 HydrophobicContact CE1-CB 3.82Å; Y34-N67 VanDerWaalsContact CE1-CG 3.41Å; Y34-N67 WeakPolarHBondContact CE1-ND2 3.18Å; Y34-N67 HydrophobicContact CE2-CB 4.1Å; Y34-N67 VanDerWaalsContact CZ-CB 3.47Å; Y34-N67 VanDerWaalsContact OH-CB 3.25Å; Y34-N67 WeakPolarHBondContact OH-CB 3.33Å; Y34-N67 VanDerWaalsContact OH-CG 3.28Å; Y34-N67 PolarHBondContact OH-O 3.33Å; Y34-N67 VanDerWaalsContact OH-O 3.12Å; D64-N67 WeakPolarHBondContact OD2-CB 3.14Å; N67-M69 PolarHBondContact OD1-N 3.37Å | ||
| 68 | N | 79.6 | Confident | 81.1 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.342 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -77.9 | -20.4 | -170.6 | -69.1 | -4.9 | 0 | 0 | 0 | 114.2 | T66 A70 W71 I72 K99 | T66-N68 PolarHBondContact O-OD1 3.31Å; N68-A70 PolarHBondContact O-N 2.86Å; N68-W71 PolarHBondContact O-N 2.69Å; N68-W71 VanDerWaalsContact O-N 3.15Å; N68-I72 HydrophobicContact CB-CD1 4.3Å; N68-I72 WeakPolarHBondContact O-CG1 3.35Å; N68-I72 PolarHBondContact O-N 3.21Å; N68-K99 WeakPolarHBondContact OD1-CD 3.27Å; N68-K99 PolarHBondContact OD1-NZ 2.83Å |
| 69 | M | 82.8 | Confident | 81.1 | Confident | 117 Ų | 117 | 42.6 Ų | 42.6 | 58% | 0.576 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62 | -42.5 | -172.3 | -69.7 | -65.6 | -70.3 | 0 | 0 | 113 | V38 N67 W71 G73 | V38-M69 HydrophobicContact CG1-CB 3.98Å; N67-M69 PolarHBondContact OD1-N 3.37Å; M69-W71 VanDerWaalsContact C-N 3.34Å; M69-W71 PolarHBondContact O-N 3.31Å; M69-G73 PolarHBondContact O-N 2.92Å; M69-G73 VanDerWaalsContact O-N 3.08Å |
| 70 | A | 82 | Confident | 81.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y34 V38 Y57 A60 L61 N68 L74 | Y34-A70 HydrophobicContact CE2-CB 4.17Å; Y34-A70 WeakPolarHBondContact OH-CB 3.46Å; Y34-A70 PolarHBondContact OH-N 2.94Å; Y34-A70 VanDerWaalsContact OH-N 3.16Å; V38-A70 HydrophobicContact CG2-CB 3.92Å; Y57-A70 HydrophobicContact CD1-CB 4.5Å; A60-A70 HydrophobicContact CB-CB 4.01Å; L61-A70 HydrophobicContact CD2-CB 3.67Å; L61-A70 HydrophobicContact CG-CB 3.85Å; N68-A70 PolarHBondContact O-N 2.86Å; A70-L74 PolarHBondContact O-N 3.39Å |
| 71 | W | 83.7 | Confident | 81 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 177.2 | -72.3 | 104.6 | 0 | 0 | 0 | 112.7 | L61 S65 N68 M69 G73 L74 Y75 V92 A95 L96 I343 | L61-W71 HydrophobicContact CD1-CD2 3.96Å; L61-W71 HydrophobicContact CD1-CE3 4.04Å; L61-W71 HydrophobicContact CD1-CH2 4.01Å; L61-W71 HydrophobicContact CD1-CZ2 3.92Å; L61-W71 HydrophobicContact CD1-CZ3 4.06Å; L61-W71 HydrophobicContact CD2-CD2 3.96Å; L61-W71 HydrophobicContact CD2-CG 3.99Å; L61-W71 HydrophobicContact CD2-CZ2 4.1Å; S65-W71 PolarHBondContact O-NE1 3Å; S65-W71 VanDerWaalsContact O-NE1 3.1Å; N68-W71 PolarHBondContact O-N 2.69Å; N68-W71 VanDerWaalsContact O-N 3.15Å; M69-W71 VanDerWaalsContact C-N 3.34Å; M69-W71 PolarHBondContact O-N 3.31Å; W71-G73 VanDerWaalsContact C-N 3.31Å; W71-G73 PolarHBondContact O-N 2.9Å; W71-L74 PolarHBondContact O-N 2.69Å; W71-Y75 PolarHBondContact O-N 3.5Å; W71-V92 HydrophobicContact CE3-CG1 4.42Å; W71-V92 HydrophobicContact CE3-CG2 4.33Å; W71-V92 HydrophobicContact CZ3-CG2 4.27Å; W71-A95 HydrophobicContact CD2-CB 4.05Å; W71-A95 HydrophobicContact CE3-CB 3.73Å; W71-A95 HydrophobicContact CH2-CB 3.42Å; W71-A95 VanDerWaalsContact CH2-CB 3.42Å; W71-A95 HydrophobicContact CZ2-CB 3.76Å; W71-A95 HydrophobicContact CZ3-CB 3.42Å; W71-A95 VanDerWaalsContact CZ3-CB 3.42Å; W71-L96 HydrophobicContact CB-CD2 3.61Å; W71-L96 HydrophobicContact CB-CG 4.19Å; W71-I343 HydrophobicContact CH2-CD1 3.39Å; W71-I343 HydrophobicContact CH2-CG1 4.13Å; W71-I343 HydrophobicContact CZ2-CD1 3.37Å |
| 72 | I | 83.7 | Confident | 80.7 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.4 | -65.2 | 166.6 | 0 | 0 | 0 | 110.3 | N68 Y75 N76 L96 | N68-I72 HydrophobicContact CB-CD1 4.3Å; N68-I72 WeakPolarHBondContact O-CG1 3.35Å; N68-I72 PolarHBondContact O-N 3.21Å; I72-Y75 PolarHBondContact O-N 3.37Å; I72-N76 PolarHBondContact O-N 3.08Å; I72-N76 VanDerWaalsContact O-N 3.07Å; I72-L96 HydrophobicContact CG1-CD2 4.2Å |
| 73 | G | 83 | Confident | 80.5 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M69 W71 Y75 N76 E77 | M69-G73 PolarHBondContact O-N 2.92Å; M69-G73 VanDerWaalsContact O-N 3.08Å; W71-G73 VanDerWaalsContact C-N 3.31Å; W71-G73 PolarHBondContact O-N 2.9Å; G73-Y75 VanDerWaalsContact C-N 3.34Å; G73-Y75 PolarHBondContact O-N 3.07Å; G73-N76 PolarHBondContact O-N 3.24Å; G73-E77 PolarHBondContact O-N 3.04Å; G73-E77 VanDerWaalsContact O-N 3.15Å |
| 74 | L | 83.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.8 | -83 | 160.3 | 0 | 0 | 0 | 112.7 | I54 Y57 F58 L61 A70 W71 E77 T78 V92 | I54-L74 HydrophobicContact CB-CD2 4.4Å; I54-L74 HydrophobicContact CG1-CD2 4.32Å; I54-L74 HydrophobicContact CG2-CD2 4.14Å; Y57-L74 VanDerWaalsContact CB-CG 3.41Å; Y57-L74 HydrophobicContact CD2-CD2 4.24Å; Y57-L74 HydrophobicContact CD2-CG 4.02Å; Y57-L74 HydrophobicContact CG-CD2 4.5Å; Y57-L74 HydrophobicContact CG-CG 4Å; F58-L74 HydrophobicContact CD1-CD1 4.36Å; F58-L74 HydrophobicContact CD2-CD2 4.45Å; F58-L74 HydrophobicContact CE1-CD1 4.44Å; F58-L74 HydrophobicContact CE2-CD2 4.33Å; L61-L74 HydrophobicContact CD1-CD1 3.42Å; L61-L74 VanDerWaalsContact CD1-CD1 3.42Å; L61-L74 HydrophobicContact CG-CD1 4.42Å; A70-L74 PolarHBondContact O-N 3.39Å; W71-L74 PolarHBondContact O-N 2.69Å; L74-E77 PolarHBondContact O-N 3.43Å; L74-T78 WeakPolarHBondContact O-CB 3.41Å; L74-T78 VanDerWaalsContact O-CG2 3.31Å; L74-T78 WeakPolarHBondContact O-CG2 3.42Å; L74-T78 PolarHBondContact O-N 3.23Å; L74-T78 PolarHBondContact O-OG1 3.5Å; L74-V92 HydrophobicContact CB-CG1 4.36Å; L74-V92 HydrophobicContact CB-CG2 3.83Å |
| 75 | Y | 86.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 178.8 | 173.9 | -97.5 | 0 | 0 | 0 | 111.4 | W71 I72 G73 E77 T78 K79 L89 V92 L96 E111 Y112 M115 | W71-Y75 PolarHBondContact O-N 3.5Å; I72-Y75 PolarHBondContact O-N 3.37Å; G73-Y75 VanDerWaalsContact C-N 3.34Å; G73-Y75 PolarHBondContact O-N 3.07Å; Y75-E77 VanDerWaalsContact C-N 3.29Å; Y75-E77 PolarHBondContact O-N 3.04Å; Y75-T78 PolarHBondContact O-N 3.2Å; Y75-T78 PolarHBondContact O-OG1 3.42Å; Y75-K79 HydrophobicContact CE1-CD 3.78Å; Y75-K79 WeakPolarHBondContact O-CB 3.31Å; Y75-K79 PolarHBondContact O-N 2.93Å; Y75-L89 HydrophobicContact CD2-CD1 4.08Å; Y75-L89 HydrophobicContact CE2-CD1 4.36Å; Y75-V92 HydrophobicContact CD2-CG1 4.34Å; Y75-L96 HydrophobicContact CD2-CD1 4.01Å; Y75-L96 HydrophobicContact CG-CD1 3.91Å; Y75-E111 PolarHBondContact OH-OE1 3.35Å; Y75-Y112 HydrophobicContact CD1-CD1 4.34Å; Y75-Y112 AromaticContact CD1-CE1 3.75Å; Y75-Y112 HydrophobicContact CD1-CE1 3.75Å; Y75-Y112 HydrophobicContact CD2-CD1 4.04Å; Y75-Y112 HydrophobicContact CD2-CE1 4.18Å; Y75-Y112 AromaticContact CE1-CD1 3.94Å; Y75-Y112 HydrophobicContact CE1-CD1 3.94Å; Y75-Y112 AromaticContact CE1-CE1 3.56Å; Y75-Y112 HydrophobicContact CE1-CE1 3.56Å; Y75-Y112 AromaticContact CE2-CD1 3.6Å; Y75-Y112 HydrophobicContact CE2-CD1 3.6Å; Y75-Y112 HydrophobicContact CE2-CE1 4Å; Y75-Y112 HydrophobicContact CG-CD1 4.4Å; Y75-Y112 HydrophobicContact CG-CE1 4.06Å; Y75-Y112 AromaticContact CZ-CD1 3.55Å; Y75-Y112 AromaticContact CZ-CE1 3.69Å; Y75-M115 HydrophobicContact CE2-CB 4.38Å; Y75-M115 HydrophobicContact CE2-CG 4.05Å |
| 76 | N | 85 | Confident | 80.3 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | -179.1 | -71.9 | -20.7 | 0 | 0 | 0 | 112.1 | I72 G73 | I72-N76 PolarHBondContact O-N 3.08Å; I72-N76 VanDerWaalsContact O-N 3.07Å; G73-N76 PolarHBondContact O-N 3.24Å |
| 77 | E | 82.8 | Confident | 80.3 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.4 | -42.3 | -179.3 | -157.8 | 66.2 | 172.6 | 0 | 0 | 112.3 | S45 E50 A53 G73 L74 Y75 K79 K80 | S45-E77 WeakPolarHBondContact CA-OE1 3.49Å; S45-E77 WeakPolarHBondContact CB-OE2 3.36Å; S45-E77 VanDerWaalsContact OG-CD 3.27Å; S45-E77 PolarHBondContact OG-OE2 3.19Å; E50-E77 HydrophobicContact CG-CG 4.32Å; A53-E77 HydrophobicContact CB-CG 4.32Å; G73-E77 PolarHBondContact O-N 3.04Å; G73-E77 VanDerWaalsContact O-N 3.15Å; L74-E77 PolarHBondContact O-N 3.43Å; Y75-E77 VanDerWaalsContact C-N 3.29Å; Y75-E77 PolarHBondContact O-N 3.04Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.49Å; E77-K80 IonicContact OE1-NZ 2.88Å; E77-K80 WeakPolarHBondContact OE2-CE 3.09Å; E77-K80 IonicContact OE2-NZ 2.71Å; E77-K80 PolarHBondContact OE2-NZ 3.33Å |
| 78 | T | 81.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.5 | -25.4 | 179 | 55 | 0 | 0 | 0 | 0 | 113 | I54 L74 Y75 K80 S81 N85 I88 L89 | I54-T78 HydrophobicContact CD1-CG2 4.41Å; L74-T78 WeakPolarHBondContact O-CB 3.41Å; L74-T78 VanDerWaalsContact O-CG2 3.31Å; L74-T78 WeakPolarHBondContact O-CG2 3.42Å; L74-T78 PolarHBondContact O-N 3.23Å; L74-T78 PolarHBondContact O-OG1 3.5Å; Y75-T78 PolarHBondContact O-N 3.2Å; Y75-T78 PolarHBondContact O-OG1 3.42Å; T78-K80 VanDerWaalsContact C-N 3.3Å; T78-K80 PolarHBondContact O-N 3.4Å; T78-S81 CarbonylContact O-C 3.47Å; T78-S81 PolarHBondContact O-N 3.09Å; T78-N85 HydrophobicContact CG2-CB 4.01Å; T78-I88 HydrophobicContact CG2-CB 4.17Å; T78-I88 HydrophobicContact CG2-CG2 3.69Å; T78-L89 WeakPolarHBondContact OG1-CD1 3.33Å |
| 79 | K | 83 | Confident | 80.3 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.5 | -27.8 | 171.9 | -177.2 | 178.9 | -179.6 | -179.4 | 0 | 112.8 | Y75 E77 S81 E111 M115 | Y75-K79 HydrophobicContact CE1-CD 3.78Å; Y75-K79 WeakPolarHBondContact O-CB 3.31Å; Y75-K79 PolarHBondContact O-N 2.93Å; E77-K79 VanDerWaalsContact C-N 3.35Å; K79-S81 VanDerWaalsContact C-N 3.3Å; K79-S81 PolarHBondContact O-N 3.19Å; K79-E111 IonicContact NZ-OE1 3.83Å; K79-E111 PolarHBondContact NZ-OE1 3.28Å; K79-M115 HydrophobicContact CD-CE 4.29Å; K79-M115 HydrophobicContact CG-CE 4.16Å |
| 80 | K | 82.2 | Confident | 80.3 | Confident | 132 Ų | 132 | 39.6 Ų | 39.6 | 57% | 0.574 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -66.2 | -30.9 | 176.5 | -69.2 | 171.8 | -177.4 | 167.3 | 0 | 112.5 | S45 E77 T78 | S45-K80 PolarHBondContact OG-NZ 3.4Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.49Å; E77-K80 IonicContact OE1-NZ 2.88Å; E77-K80 WeakPolarHBondContact OE2-CE 3.09Å; E77-K80 IonicContact OE2-NZ 2.71Å; E77-K80 PolarHBondContact OE2-NZ 3.33Å; T78-K80 VanDerWaalsContact C-N 3.3Å; T78-K80 PolarHBondContact O-N 3.4Å |
| 81 | S | 78 | Confident | 80.1 | Confident | 22 Ų | 22 | 42 Ų | 42 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | trans | -134.2 | 62.7 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | E50 T78 K79 D83 K84 N85 | E50-S81 PolarHBondContact OE1-OG 3.37Å; T78-S81 CarbonylContact O-C 3.47Å; T78-S81 PolarHBondContact O-N 3.09Å; K79-S81 VanDerWaalsContact C-N 3.3Å; K79-S81 PolarHBondContact O-N 3.19Å; S81-D83 VanDerWaalsContact C-N 3.33Å; S81-D83 PolarHBondContact O-N 3.26Å; S81-K84 PolarHBondContact O-N 2.98Å; S81-N85 PolarHBondContact O-N 3.25Å; S81-N85 VanDerWaalsContact O-N 3.15Å; S81-N85 PolarHBondContact OG-ND2 3.47Å | ||
| 82 | P | 74 | Confident | 80 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.2 | -38.6 | -171.2 | 24.7 | -33.7 | 0 | 0 | 0 | 112.8 | K84 N85 R86 L89 F123 | P82-K84 PolarHBondContact O-N 2.99Å; P82-N85 PolarHBondContact O-N 2.95Å; P82-R86 VanDerWaalsContact O-CA 3.23Å; P82-R86 WeakPolarHBondContact O-CA 3.28Å; P82-R86 VanDerWaalsContact O-CB 3.27Å; P82-R86 WeakPolarHBondContact O-CB 3.47Å; P82-R86 PolarHBondContact O-N 3.47Å; P82-L89 HydrophobicContact CB-CD2 4.08Å; P82-F123 HydrophobicContact CB-CE2 4.28Å; P82-F123 HydrophobicContact CB-CZ 4.37Å |
| 83 | D | 73.9 | Confident | 80 | Confident | 99 Ų | 99 | 39.1 Ų | 39.1 | 53% | 0.529 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.7 | -42.4 | -176.9 | -63.3 | -14.5 | 0 | 0 | 0 | 113.6 | S81 R86 F123 | S81-D83 VanDerWaalsContact C-N 3.33Å; S81-D83 PolarHBondContact O-N 3.26Å; D83-R86 PolarHBondContact O-NH1 3.22Å; D83-R86 VanDerWaalsContact O-NH1 3.14Å; D83-F123 HydrophobicContact CB-CE1 4.46Å; D83-F123 WeakPolarHBondContact OD1-CE1 3.3Å; D83-F123 WeakPolarHBondContact OD1-CZ 3.5Å |
| 84 | K | 75 | Confident | 79.9 | Confident | 147 Ų | 147 | 39.2 Ų | 39.2 | 64% | 0.639 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -78.9 | -39.3 | -178.6 | -68.6 | -177.6 | -176.9 | 174.1 | 0 | 111.5 | S81 P82 | S81-K84 PolarHBondContact O-N 2.98Å; P82-K84 PolarHBondContact O-N 2.99Å |
| 85 | N | 74.6 | Confident | 79.6 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -103.3 | 14.9 | -172.8 | -68.7 | -31.2 | 0 | 0 | 0 | 114 | E50 T78 S81 P82 R87 I88 L89 | E50-N85 PolarHBondContact OE1-ND2 3.06Å; T78-N85 HydrophobicContact CG2-CB 4.01Å; S81-N85 PolarHBondContact O-N 3.25Å; S81-N85 VanDerWaalsContact O-N 3.15Å; S81-N85 PolarHBondContact OG-ND2 3.47Å; P82-N85 PolarHBondContact O-N 2.95Å; N85-R87 VanDerWaalsContact C-N 3.27Å; N85-R87 PolarHBondContact O-N 3.17Å; N85-I88 WeakPolarHBondContact O-CA 3.35Å; N85-I88 WeakPolarHBondContact O-CB 3.34Å; N85-I88 PolarHBondContact O-N 2.97Å; N85-L89 PolarHBondContact O-N 3.49Å |
| 86 | R | 77.1 | Confident | 79.4 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -47.4 | -40.6 | -173.2 | 65 | -175.3 | 179.2 | -113.6 | 4.7 | 115.2 | P82 D83 L90 I119 F123 L125 | P82-R86 VanDerWaalsContact O-CA 3.23Å; P82-R86 WeakPolarHBondContact O-CA 3.28Å; P82-R86 VanDerWaalsContact O-CB 3.27Å; P82-R86 WeakPolarHBondContact O-CB 3.47Å; P82-R86 PolarHBondContact O-N 3.47Å; D83-R86 PolarHBondContact O-NH1 3.22Å; D83-R86 VanDerWaalsContact O-NH1 3.14Å; R86-L90 WeakPolarHBondContact O-CB 3.07Å; R86-L90 PolarHBondContact O-N 3.21Å; R86-I119 HydrophobicContact CB-CG2 4.44Å; R86-F123 HydrophobicContact CB-CD2 4.19Å; R86-F123 HydrophobicContact CB-CG 4.37Å; R86-L125 HydrophobicContact CB-CD1 4.07Å; R86-L125 HydrophobicContact CG-CD1 4.28Å; R86-L125 HydrophobicContact CG-CD2 4.37Å |
| 87 | R | 75.3 | Confident | 79.2 | Confident | 61 Ų | 61 | 36.4 Ų | 36.4 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.3 | -39.9 | 177.4 | -67.5 | -171.1 | 178.1 | 170.7 | 1.5 | 112.8 | N85 R91 E335 L339 | N85-R87 VanDerWaalsContact C-N 3.27Å; N85-R87 PolarHBondContact O-N 3.17Å; R87-R91 PolarHBondContact O-N 3.15Å; R87-E335 IonicContact CZ-OE1 2.67Å; R87-E335 IonicContact NE-OE1 2.77Å; R87-E335 IonicContact NH2-OE1 2.67Å; R87-E335 PolarHBondContact NH2-OE1 3.4Å; R87-L339 HydrophobicContact CB-CD2 3.83Å; R87-L339 HydrophobicContact CG-CD2 3.99Å |
| 88 | I | 76.8 | Confident | 78.8 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -47.8 | 177.7 | -57.3 | 172.1 | 0 | 0 | 0 | 109 | I54 F58 T78 N85 L90 R91 V92 F346 | I54-I88 HydrophobicContact CG2-CD1 4.41Å; F58-I88 HydrophobicContact CE2-CD1 4.48Å; F58-I88 HydrophobicContact CE2-CG2 4.22Å; F58-I88 HydrophobicContact CZ-CG2 3.83Å; T78-I88 HydrophobicContact CG2-CB 4.17Å; T78-I88 HydrophobicContact CG2-CG2 3.69Å; N85-I88 WeakPolarHBondContact O-CA 3.35Å; N85-I88 WeakPolarHBondContact O-CB 3.34Å; N85-I88 PolarHBondContact O-N 2.97Å; I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 PolarHBondContact O-N 3.06Å; I88-R91 PolarHBondContact O-N 3.06Å; I88-R91 VanDerWaalsContact O-N 3.15Å; I88-V92 HydrophobicContact CG2-CG2 4.11Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.4Å; I88-V92 PolarHBondContact O-N 2.97Å; I88-F346 HydrophobicContact CG1-CD1 4.42Å; I88-F346 HydrophobicContact CG1-CE1 3.99Å |
| 89 | L | 81.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | -179.5 | -173.3 | 58.1 | 0 | 0 | 0 | 111.6 | Y75 T78 P82 N85 V92 C93 M115 I119 | Y75-L89 HydrophobicContact CD2-CD1 4.08Å; Y75-L89 HydrophobicContact CE2-CD1 4.36Å; T78-L89 WeakPolarHBondContact OG1-CD1 3.33Å; P82-L89 HydrophobicContact CB-CD2 4.08Å; N85-L89 PolarHBondContact O-N 3.49Å; L89-V92 PolarHBondContact O-N 3.31Å; L89-C93 WeakPolarHBondContact O-CB 3.47Å; L89-C93 PolarHBondContact O-N 3.27Å; L89-C93 PolarHBondContact O-SG 3.43Å; L89-M115 HydrophobicContact CD2-SD 4.41Å; L89-I119 HydrophobicContact CB-CD1 4.13Å; L89-I119 HydrophobicContact CD1-CD1 4.41Å; L89-I119 HydrophobicContact CD2-CD1 3.2Å; L89-I119 HydrophobicContact CD2-CG1 4.07Å; L89-I119 HydrophobicContact CG-CD1 3.3Å |
| 90 | L | 82.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.9 | -52.2 | 172 | -178.8 | 70.5 | 0 | 0 | 0 | 111.5 | R86 I88 V92 C93 T94 L116 V120 L125 P126 L339 | R86-L90 WeakPolarHBondContact O-CB 3.07Å; R86-L90 PolarHBondContact O-N 3.21Å; I88-L90 VanDerWaalsContact C-N 3.32Å; I88-L90 PolarHBondContact O-N 3.06Å; L90-V92 PolarHBondContact O-N 2.89Å; L90-C93 PolarHBondContact O-N 3.44Å; L90-T94 WeakPolarHBondContact O-CG2 3.46Å; L90-T94 PolarHBondContact O-N 3.39Å; L90-T94 PolarHBondContact O-OG1 3.49Å; L90-L116 HydrophobicContact CD1-CD1 3.73Å; L90-V120 HydrophobicContact CD1-CG2 3.38Å; L90-L125 HydrophobicContact CB-CD1 4.31Å; L90-L125 HydrophobicContact CD2-CB 4.24Å; L90-L125 HydrophobicContact CD2-CD1 4.13Å; L90-P126 WeakPolarHBondContact CD2-O 3.43Å; L90-L339 HydrophobicContact CD2-CD1 3.86Å; L90-L339 HydrophobicContact CD2-CD2 4.11Å |
| 91 | R | 78.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 35.9 Ų | 35.9 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | -179.4 | -170.3 | 58 | 161.9 | 166.7 | -9.3 | 111.8 | R87 I88 T94 A95 | R87-R91 PolarHBondContact O-N 3.15Å; I88-R91 PolarHBondContact O-N 3.06Å; I88-R91 VanDerWaalsContact O-N 3.15Å; R91-T94 WeakPolarHBondContact CA-OG1 3.46Å; R91-T94 PolarHBondContact O-N 3.11Å; R91-T94 PolarHBondContact O-OG1 2.83Å; R91-A95 WeakPolarHBondContact O-CB 3.22Å; R91-A95 PolarHBondContact O-N 3.3Å |
| 92 | V | 81.8 | Confident | 76 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | W71 L74 Y75 I88 L89 L90 A95 L96 | W71-V92 HydrophobicContact CE3-CG1 4.42Å; W71-V92 HydrophobicContact CE3-CG2 4.33Å; W71-V92 HydrophobicContact CZ3-CG2 4.27Å; L74-V92 HydrophobicContact CB-CG1 4.36Å; L74-V92 HydrophobicContact CB-CG2 3.83Å; Y75-V92 HydrophobicContact CD2-CG1 4.34Å; I88-V92 HydrophobicContact CG2-CG2 4.11Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.4Å; I88-V92 PolarHBondContact O-N 2.97Å; L89-V92 PolarHBondContact O-N 3.31Å; L90-V92 PolarHBondContact O-N 2.89Å; V92-A95 PolarHBondContact O-N 3.14Å; V92-L96 HydrophobicContact CG1-CD1 3.9Å; V92-L96 HydrophobicContact CG1-CG 4.42Å; V92-L96 WeakPolarHBondContact O-CB 3.5Å; V92-L96 WeakPolarHBondContact O-CG 3.36Å; V92-L96 PolarHBondContact O-N 3.15Å |
| 93 | C | 83.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.4 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | L89 L90 A95 L96 I97 L116 | L89-C93 WeakPolarHBondContact O-CB 3.47Å; L89-C93 PolarHBondContact O-N 3.27Å; L89-C93 PolarHBondContact O-SG 3.43Å; L90-C93 PolarHBondContact O-N 3.44Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 3.21Å; C93-L96 PolarHBondContact O-N 2.82Å; C93-I97 WeakPolarHBondContact O-CB 3.19Å; C93-I97 WeakPolarHBondContact O-CD1 3.39Å; C93-I97 VanDerWaalsContact O-CG1 3.24Å; C93-I97 WeakPolarHBondContact O-CG1 3.28Å; C93-I97 PolarHBondContact O-N 2.55Å; C93-L116 HydrophobicContact CB-CB 4.02Å; C93-L116 HydrophobicContact CB-CD1 3.57Å; C93-L116 HydrophobicContact CB-CG 4.42Å |
| 94 | T | 81.1 | Confident | 74.4 | Confident | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.6 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | L90 R91 G98 L116 P128 F131 | L90-T94 WeakPolarHBondContact O-CG2 3.46Å; L90-T94 PolarHBondContact O-N 3.39Å; L90-T94 PolarHBondContact O-OG1 3.49Å; R91-T94 WeakPolarHBondContact CA-OG1 3.46Å; R91-T94 PolarHBondContact O-N 3.11Å; R91-T94 PolarHBondContact O-OG1 2.83Å; T94-G98 PolarHBondContact O-N 3.38Å; T94-G98 VanDerWaalsContact O-N 3.12Å; T94-L116 HydrophobicContact CG2-CD1 3.67Å; T94-P128 HydrophobicContact CG2-CG 4.09Å; T94-F131 HydrophobicContact CG2-CD2 3.71Å; T94-F131 HydrophobicContact CG2-CE2 3.74Å; T94-F131 HydrophobicContact CG2-CG 4.09Å; T94-F131 HydrophobicContact CG2-CZ 4.13Å |
| 95 | A | 77.7 | Confident | 73.7 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.6 | -38.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W71 R91 V92 C93 K99 | W71-A95 HydrophobicContact CD2-CB 4.05Å; W71-A95 HydrophobicContact CE3-CB 3.73Å; W71-A95 HydrophobicContact CH2-CB 3.42Å; W71-A95 VanDerWaalsContact CH2-CB 3.42Å; W71-A95 HydrophobicContact CZ2-CB 3.76Å; W71-A95 HydrophobicContact CZ3-CB 3.42Å; W71-A95 VanDerWaalsContact CZ3-CB 3.42Å; R91-A95 WeakPolarHBondContact O-CB 3.22Å; R91-A95 PolarHBondContact O-N 3.3Å; V92-A95 PolarHBondContact O-N 3.14Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 3.21Å; A95-K99 VanDerWaalsContact O-CG 3.31Å; A95-K99 WeakPolarHBondContact O-CG 3.35Å; A95-K99 PolarHBondContact O-N 3Å |
| 96 | L | 81.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 175.8 | -77.3 | 174 | 0 | 0 | 0 | 111.9 | W71 I72 Y75 V92 C93 K99 C100 Y112 | W71-L96 HydrophobicContact CB-CD2 3.61Å; W71-L96 HydrophobicContact CB-CG 4.19Å; I72-L96 HydrophobicContact CG1-CD2 4.2Å; Y75-L96 HydrophobicContact CD2-CD1 4.01Å; Y75-L96 HydrophobicContact CG-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CD1 3.9Å; V92-L96 HydrophobicContact CG1-CG 4.42Å; V92-L96 WeakPolarHBondContact O-CB 3.5Å; V92-L96 WeakPolarHBondContact O-CG 3.36Å; V92-L96 PolarHBondContact O-N 3.15Å; C93-L96 PolarHBondContact O-N 2.82Å; L96-K99 PolarHBondContact O-N 3.38Å; L96-C100 WeakPolarHBondContact O-CB 3.27Å; L96-C100 PolarHBondContact O-N 2.88Å; L96-C100 PolarHBondContact O-SG 3.09Å; L96-Y112 HydrophobicContact CB-CD2 3.96Å; L96-Y112 HydrophobicContact CB-CE2 4.24Å; L96-Y112 HydrophobicContact CB-CG 4.35Å; L96-Y112 HydrophobicContact CD1-CD1 4.24Å; L96-Y112 HydrophobicContact CD1-CD2 4.4Å; L96-Y112 HydrophobicContact CD1-CE1 4.05Å; L96-Y112 HydrophobicContact CD1-CE2 4.21Å; L96-Y112 HydrophobicContact CD1-CG 4.43Å |
| 97 | I | 80.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 176.5 | -72.6 | 165.9 | 0 | 0 | 0 | 110.8 | C93 K99 C100 Y109 L116 I137 | C93-I97 WeakPolarHBondContact O-CB 3.19Å; C93-I97 WeakPolarHBondContact O-CD1 3.39Å; C93-I97 VanDerWaalsContact O-CG1 3.24Å; C93-I97 WeakPolarHBondContact O-CG1 3.28Å; C93-I97 PolarHBondContact O-N 2.55Å; I97-K99 PolarHBondContact O-N 3Å; I97-K99 VanDerWaalsContact O-N 3.1Å; I97-C100 PolarHBondContact O-N 2.74Å; I97-C100 VanDerWaalsContact O-O 3.09Å; I97-Y109 HydrophobicContact CG2-CE2 3.74Å; I97-L116 HydrophobicContact CD1-CB 4.01Å; I97-L116 HydrophobicContact CD1-CD2 3.69Å; I97-L116 HydrophobicContact CD1-CG 4.29Å; I97-I137 HydrophobicContact CD1-CD1 4.25Å; I97-I137 HydrophobicContact CG2-CD1 3.93Å |
| 98 | G | 74.1 | Confident | 73.7 | Confident | 64 Ų | 64 | 43 Ų | 43 | 66% | 0.66 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.9 | -17.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | T94 | T94-G98 PolarHBondContact O-N 3.38Å; T94-G98 VanDerWaalsContact O-N 3.12Å |
| 99 | K | 72.7 | Confident | 74 | Confident | 71 Ų | 71 | 42.4 Ų | 42.4 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -99.9 | -18.8 | 177.6 | -70.5 | -172.2 | 177.1 | -162.7 | 0 | 114.6 | S65 T66 N68 A95 L96 I97 | S65-K99 PolarHBondContact O-NZ 3.07Å; T66-K99 VanDerWaalsContact C-NZ 3.28Å; T66-K99 PolarHBondContact O-NZ 3.42Å; N68-K99 WeakPolarHBondContact OD1-CD 3.27Å; N68-K99 PolarHBondContact OD1-NZ 2.83Å; A95-K99 VanDerWaalsContact O-CG 3.31Å; A95-K99 WeakPolarHBondContact O-CG 3.35Å; A95-K99 PolarHBondContact O-N 3Å; L96-K99 PolarHBondContact O-N 3.38Å; I97-K99 PolarHBondContact O-N 3Å; I97-K99 VanDerWaalsContact O-N 3.1Å |
| 100 | C | 68.8 | Low | 74.1 | Confident | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -92.3 | 113 | 176.1 | -65 | 0 | 0 | 0 | 0 | 108.3 | L96 I97 Y109 | L96-C100 WeakPolarHBondContact O-CB 3.27Å; L96-C100 PolarHBondContact O-N 2.88Å; L96-C100 PolarHBondContact O-SG 3.09Å; I97-C100 PolarHBondContact O-N 2.74Å; I97-C100 VanDerWaalsContact O-O 3.09Å; C100-Y109 HydrophobicContact CB-CD2 4.05Å |
| 101 | S | 65.1 | Low | 74.2 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | trans | -63.5 | 140 | 169.5 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | S103 D104 | S101-S103 PolarHBondContact O-N 3.47Å; S101-S103 VanDerWaalsContact O-N 3.13Å; S101-D104 PolarHBondContact O-N 3.04Å; S101-D104 VanDerWaalsContact OG-CB 3.29Å; S101-D104 WeakPolarHBondContact OG-CB 3.28Å; S101-D104 PolarHBondContact OG-OD2 2.82Å | ||
| 102 | K | 60.5 | Low | 74.6 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 39% | 0.391 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.7 | 177.8 | -70.2 | -179.9 | 179.7 | 178.3 | 0 | 112.5 | T106 Y109 D136 | K102-T106 WeakPolarHBondContact O-CG2 3.48Å; K102-Y109 VanDerWaalsContact CE-OH 3.24Å; K102-Y109 WeakPolarHBondContact CE-OH 3.42Å; K102-Y109 HydrophobicContact CG-CE1 4.17Å; K102-Y109 HydrophobicContact CG-CE2 4.01Å; K102-D136 IonicContact NZ-OD2 2.73Å |
| 103 | S | 57.6 | Low | 74.8 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -40.5 | -177.7 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | S101 | S101-S103 PolarHBondContact O-N 3.47Å; S101-S103 VanDerWaalsContact O-N 3.13Å |
| 104 | D | 56.7 | Low | 75 | Confident | 133 Ų | 133 | 48.9 Ų | 48.9 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -15.6 | -160.9 | -53.2 | -24.1 | 0 | 0 | 0 | 113.1 | S101 | S101-D104 PolarHBondContact O-N 3.04Å; S101-D104 VanDerWaalsContact OG-CB 3.29Å; S101-D104 WeakPolarHBondContact OG-CB 3.28Å; S101-D104 PolarHBondContact OG-OD2 2.82Å |
| 105 | S | 60.4 | Low | 75.4 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | trans | -150.4 | 50.9 | -176.8 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | G107 K108 Y109 | S105-G107 VanDerWaalsContact C-N 3.26Å; S105-G107 PolarHBondContact O-N 2.87Å; S105-G107 VanDerWaalsContact O-N 3.09Å; S105-K108 PolarHBondContact O-N 3.32Å; S105-Y109 PolarHBondContact O-N 2.88Å | ||
| 106 | T | 69.3 | Low | 75.8 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -44.7 | -44.7 | -177.4 | 53.3 | 0 | 0 | 0 | 0 | 114 | K102 L110 | K102-T106 WeakPolarHBondContact O-CG2 3.48Å; T106-L110 VanDerWaalsContact O-CB 3.25Å; T106-L110 WeakPolarHBondContact O-CB 3.23Å; T106-L110 PolarHBondContact O-N 3.13Å |
| 107 | G | 77.9 | Confident | 76.1 | Confident | 50 Ų | 50 | 48.6 Ų | 48.6 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S105 E111 | S105-G107 VanDerWaalsContact C-N 3.26Å; S105-G107 PolarHBondContact O-N 2.87Å; S105-G107 VanDerWaalsContact O-N 3.09Å; G107-E111 PolarHBondContact O-N 3.37Å |
| 108 | K | 79.7 | Confident | 76.4 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.2 | -39.2 | 177.5 | -70.5 | -174.4 | -179.5 | 177.8 | 0 | 111.4 | S105 L110 E111 Y112 | S105-K108 PolarHBondContact O-N 3.32Å; K108-L110 VanDerWaalsContact C-N 3.33Å; K108-L110 PolarHBondContact O-N 3.28Å; K108-E111 PolarHBondContact O-N 3.31Å; K108-Y112 HydrophobicContact CB-CE2 4.01Å; K108-Y112 WeakPolarHBondContact O-CD2 3.19Å; K108-Y112 PolarHBondContact O-N 3.49Å |
| 109 | Y | 82.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 172.9 | -174.9 | -87.7 | 0 | 0 | 0 | 110.7 | I97 C100 K102 S105 E111 Y112 A113 F140 | I97-Y109 HydrophobicContact CG2-CE2 3.74Å; C100-Y109 HydrophobicContact CB-CD2 4.05Å; K102-Y109 VanDerWaalsContact CE-OH 3.24Å; K102-Y109 WeakPolarHBondContact CE-OH 3.42Å; K102-Y109 HydrophobicContact CG-CE1 4.17Å; K102-Y109 HydrophobicContact CG-CE2 4.01Å; S105-Y109 PolarHBondContact O-N 2.88Å; Y109-E111 PolarHBondContact O-N 2.77Å; Y109-Y112 PolarHBondContact O-N 2.86Å; Y109-A113 WeakPolarHBondContact O-CB 3.38Å; Y109-A113 PolarHBondContact O-N 2.86Å; Y109-F140 AromaticContact CD1-CD1 3.87Å; Y109-F140 HydrophobicContact CD1-CD1 3.87Å; Y109-F140 AromaticContact CD1-CE1 3.47Å; Y109-F140 HydrophobicContact CD1-CE1 3.47Å; Y109-F140 VanDerWaalsContact CD1-CE1 3.47Å; Y109-F140 AromaticContact CD1-CZ 3.92Å; Y109-F140 HydrophobicContact CD1-CZ 3.92Å; Y109-F140 AromaticContact CE1-CD1 3.7Å; Y109-F140 HydrophobicContact CE1-CD1 3.7Å; Y109-F140 AromaticContact CE1-CE1 3.81Å; Y109-F140 HydrophobicContact CE1-CE1 3.81Å; Y109-F140 HydrophobicContact CE1-CG 4.16Å; Y109-F140 HydrophobicContact CE1-CZ 4.32Å |
| 110 | L | 84.2 | Confident | 77.4 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.4 | -174.8 | 66.9 | 0 | 0 | 0 | 112.2 | T106 K108 A113 K114 F140 I141 H144 | T106-L110 VanDerWaalsContact O-CB 3.25Å; T106-L110 WeakPolarHBondContact O-CB 3.23Å; T106-L110 PolarHBondContact O-N 3.13Å; K108-L110 VanDerWaalsContact C-N 3.33Å; K108-L110 PolarHBondContact O-N 3.28Å; L110-A113 PolarHBondContact O-N 2.84Å; L110-K114 HydrophobicContact CD1-CG 4.34Å; L110-K114 HydrophobicContact CG-CD 4.38Å; L110-K114 HydrophobicContact CG-CG 4.47Å; L110-K114 WeakPolarHBondContact O-CB 3.41Å; L110-K114 WeakPolarHBondContact O-CG 3.46Å; L110-K114 PolarHBondContact O-N 2.93Å; L110-F140 HydrophobicContact CB-CE1 4.22Å; L110-F140 HydrophobicContact CD1-CD1 4.25Å; L110-F140 HydrophobicContact CD1-CE1 3.91Å; L110-I141 HydrophobicContact CD1-CG1 4.34Å; L110-H144 HydrophobicContact CD1-CB 4Å; L110-H144 HydrophobicContact CD2-CB 4.17Å |
| 111 | E | 85.4 | Confident | 78.1 | Confident | 79 Ų | 79 | 44.1 Ų | 44.1 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -47 | 176.4 | -170.7 | -173.4 | 171 | 0 | 0 | 111.9 | Y75 K79 G107 K108 Y109 M115 | Y75-E111 PolarHBondContact OH-OE1 3.35Å; K79-E111 IonicContact NZ-OE1 3.83Å; K79-E111 PolarHBondContact NZ-OE1 3.28Å; G107-E111 PolarHBondContact O-N 3.37Å; K108-E111 PolarHBondContact O-N 3.31Å; Y109-E111 PolarHBondContact O-N 2.77Å; E111-M115 WeakPolarHBondContact O-CB 3.17Å; E111-M115 PolarHBondContact O-N 2.88Å; E111-M115 VanDerWaalsContact O-N 3.08Å |
| 112 | Y | 86 | Confident | 78.9 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | 177.9 | -57.7 | -32.4 | 0 | 0 | 0 | 111.9 | Y75 L96 K108 Y109 L116 | Y75-Y112 HydrophobicContact CD1-CD1 4.34Å; Y75-Y112 AromaticContact CD1-CE1 3.75Å; Y75-Y112 HydrophobicContact CD1-CE1 3.75Å; Y75-Y112 HydrophobicContact CD2-CD1 4.04Å; Y75-Y112 HydrophobicContact CD2-CE1 4.18Å; Y75-Y112 AromaticContact CE1-CD1 3.94Å; Y75-Y112 HydrophobicContact CE1-CD1 3.94Å; Y75-Y112 AromaticContact CE1-CE1 3.56Å; Y75-Y112 HydrophobicContact CE1-CE1 3.56Å; Y75-Y112 AromaticContact CE2-CD1 3.6Å; Y75-Y112 HydrophobicContact CE2-CD1 3.6Å; Y75-Y112 HydrophobicContact CE2-CE1 4Å; Y75-Y112 HydrophobicContact CG-CD1 4.4Å; Y75-Y112 HydrophobicContact CG-CE1 4.06Å; Y75-Y112 AromaticContact CZ-CD1 3.55Å; Y75-Y112 AromaticContact CZ-CE1 3.69Å; L96-Y112 HydrophobicContact CB-CD2 3.96Å; L96-Y112 HydrophobicContact CB-CE2 4.24Å; L96-Y112 HydrophobicContact CB-CG 4.35Å; L96-Y112 HydrophobicContact CD1-CD1 4.24Å; L96-Y112 HydrophobicContact CD1-CD2 4.4Å; L96-Y112 HydrophobicContact CD1-CE1 4.05Å; L96-Y112 HydrophobicContact CD1-CE2 4.21Å; L96-Y112 HydrophobicContact CD1-CG 4.43Å; K108-Y112 HydrophobicContact CB-CE2 4.01Å; K108-Y112 WeakPolarHBondContact O-CD2 3.19Å; K108-Y112 PolarHBondContact O-N 3.49Å; Y109-Y112 PolarHBondContact O-N 2.86Å; Y112-L116 WeakPolarHBondContact O-CB 3.41Å; Y112-L116 PolarHBondContact O-N 2.9Å |
| 113 | A | 86.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -51 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y109 L110 M115 L116 V117 I137 I141 | Y109-A113 WeakPolarHBondContact O-CB 3.38Å; Y109-A113 PolarHBondContact O-N 2.86Å; L110-A113 PolarHBondContact O-N 2.84Å; A113-M115 VanDerWaalsContact C-N 3.32Å; A113-M115 PolarHBondContact O-N 3.12Å; A113-L116 WeakPolarHBondContact O-CB 3.48Å; A113-L116 PolarHBondContact O-N 3.37Å; A113-V117 PolarHBondContact O-N 2.92Å; A113-I137 HydrophobicContact CB-CG2 3.71Å; A113-I141 HydrophobicContact CB-CD1 3.99Å; A113-I141 HydrophobicContact CB-CG1 3.97Å |
| 114 | K | 88.2 | Confident | 80.6 | Confident | 63 Ų | 63 | 39 Ų | 39 | 27% | 0.274 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 176.8 | -74.3 | -174.4 | -175.2 | -165.8 | 0 | 111.3 | L110 V117 Q118 I141 D145 | L110-K114 HydrophobicContact CD1-CG 4.34Å; L110-K114 HydrophobicContact CG-CD 4.38Å; L110-K114 HydrophobicContact CG-CG 4.47Å; L110-K114 WeakPolarHBondContact O-CB 3.41Å; L110-K114 WeakPolarHBondContact O-CG 3.46Å; L110-K114 PolarHBondContact O-N 2.93Å; K114-V117 PolarHBondContact O-N 3.29Å; K114-Q118 VanDerWaalsContact O-CB 3.25Å; K114-Q118 WeakPolarHBondContact O-CB 3.45Å; K114-Q118 PolarHBondContact O-N 3.47Å; K114-I141 HydrophobicContact CG-CG1 4.31Å; K114-I141 HydrophobicContact CG-CG2 4.13Å; K114-D145 WeakPolarHBondContact CE-OD2 3.5Å; K114-D145 VanDerWaalsContact NZ-CG 3.27Å; K114-D145 IonicContact NZ-OD2 3.81Å; K114-D145 PolarHBondContact NZ-OD2 3.01Å |
| 115 | M | 88 | Confident | 81.5 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 14% | 0.143 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.5 | -173.2 | 58.1 | 61.4 | 0 | 0 | 111.9 | Y75 K79 L89 E111 A113 Q118 I119 | Y75-M115 HydrophobicContact CE2-CB 4.38Å; Y75-M115 HydrophobicContact CE2-CG 4.05Å; K79-M115 HydrophobicContact CD-CE 4.29Å; K79-M115 HydrophobicContact CG-CE 4.16Å; L89-M115 HydrophobicContact CD2-SD 4.41Å; E111-M115 WeakPolarHBondContact O-CB 3.17Å; E111-M115 PolarHBondContact O-N 2.88Å; E111-M115 VanDerWaalsContact O-N 3.08Å; A113-M115 VanDerWaalsContact C-N 3.32Å; A113-M115 PolarHBondContact O-N 3.12Å; M115-Q118 PolarHBondContact O-N 3.3Å; M115-I119 HydrophobicContact CG-CD1 3.72Å; M115-I119 WeakPolarHBondContact O-CD1 3.48Å; M115-I119 WeakPolarHBondContact O-CG1 3.43Å; M115-I119 PolarHBondContact O-N 3.32Å; M115-I119 HydrophobicContact SD-CD1 3.84Å; M115-I119 HydrophobicContact SD-CG1 4.11Å |
| 116 | L | 87.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.7 | -54.2 | 175.7 | -176.6 | 81.1 | 0 | 0 | 0 | 111 | L90 C93 T94 I97 Y112 A113 Q118 I119 V120 F131 F134 I137 | L90-L116 HydrophobicContact CD1-CD1 3.73Å; C93-L116 HydrophobicContact CB-CB 4.02Å; C93-L116 HydrophobicContact CB-CD1 3.57Å; C93-L116 HydrophobicContact CB-CG 4.42Å; T94-L116 HydrophobicContact CG2-CD1 3.67Å; I97-L116 HydrophobicContact CD1-CB 4.01Å; I97-L116 HydrophobicContact CD1-CD2 3.69Å; I97-L116 HydrophobicContact CD1-CG 4.29Å; Y112-L116 WeakPolarHBondContact O-CB 3.41Å; Y112-L116 PolarHBondContact O-N 2.9Å; A113-L116 WeakPolarHBondContact O-CB 3.48Å; A113-L116 PolarHBondContact O-N 3.37Å; L116-Q118 PolarHBondContact O-N 2.99Å; L116-I119 PolarHBondContact O-N 3.16Å; L116-V120 WeakPolarHBondContact O-CB 3.44Å; L116-V120 VanDerWaalsContact O-CG2 3.22Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 2.96Å; L116-F131 HydrophobicContact CD2-CE1 3.76Å; L116-F131 HydrophobicContact CD2-CZ 3.57Å; L116-F134 HydrophobicContact CD2-CD2 4.28Å; L116-I137 HydrophobicContact CD2-CD1 4.05Å |
| 117 | V | 87 | Confident | 82.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | -177.9 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | A113 K114 I119 V120 V121 F134 I137 I141 Y150 A151 A154 | A113-V117 PolarHBondContact O-N 2.92Å; K114-V117 PolarHBondContact O-N 3.29Å; V117-I119 PolarHBondContact O-N 3.43Å; V117-V120 PolarHBondContact O-N 3.24Å; V117-V121 HydrophobicContact CG1-CG2 4.34Å; V117-V121 WeakPolarHBondContact O-CB 3.4Å; V117-V121 WeakPolarHBondContact O-CG2 3.47Å; V117-V121 PolarHBondContact O-N 3Å; V117-F134 HydrophobicContact CG2-CE2 3.95Å; V117-F134 HydrophobicContact CG2-CZ 4.38Å; V117-I137 HydrophobicContact CG2-CG2 4.06Å; V117-I141 HydrophobicContact CB-CD1 3.98Å; V117-I141 HydrophobicContact CG2-CD1 3.43Å; V117-I141 VanDerWaalsContact CG2-CD1 3.43Å; V117-Y150 WeakPolarHBondContact CG1-O 3.49Å; V117-A151 HydrophobicContact CG1-CB 4.33Å; V117-A154 HydrophobicContact CG1-CB 4.08Å |
| 118 | Q | 86.7 | Confident | 82.2 | Confident | 62 Ų | 62 | 26.2 Ų | 26.2 | 29% | 0.29 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -55.8 | -50.9 | 176.3 | 177.4 | 176 | 0.9 | 0 | 0 | 111.8 | K114 M115 L116 V120 V121 Q122 Y150 | K114-Q118 VanDerWaalsContact O-CB 3.25Å; K114-Q118 WeakPolarHBondContact O-CB 3.45Å; K114-Q118 PolarHBondContact O-N 3.47Å; M115-Q118 PolarHBondContact O-N 3.3Å; L116-Q118 PolarHBondContact O-N 2.99Å; Q118-V120 PolarHBondContact O-N 2.87Å; Q118-V121 PolarHBondContact O-N 2.97Å; Q118-Q122 WeakPolarHBondContact O-CB 3.48Å; Q118-Q122 PolarHBondContact O-N 2.88Å; Q118-Y150 HydrophobicContact CB-CD2 4.05Å; Q118-Y150 HydrophobicContact CB-CE2 4.28Å; Q118-Y150 HydrophobicContact CB-CG 4.24Å; Q118-Y150 HydrophobicContact CG-CD1 4.45Å; Q118-Y150 HydrophobicContact CG-CD2 4Å; Q118-Y150 HydrophobicContact CG-CE1 4.17Å; Q118-Y150 HydrophobicContact CG-CE2 3.71Å; Q118-Y150 HydrophobicContact CG-CG 4.36Å |
| 119 | I | 84.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | -177.4 | -63.4 | 158.6 | 0 | 0 | 0 | 111 | R86 L89 M115 L116 V117 V121 F123 L125 | R86-I119 HydrophobicContact CB-CG2 4.44Å; L89-I119 HydrophobicContact CB-CD1 4.13Å; L89-I119 HydrophobicContact CD1-CD1 4.41Å; L89-I119 HydrophobicContact CD2-CD1 3.2Å; L89-I119 HydrophobicContact CD2-CG1 4.07Å; L89-I119 HydrophobicContact CG-CD1 3.3Å; M115-I119 HydrophobicContact CG-CD1 3.72Å; M115-I119 WeakPolarHBondContact O-CD1 3.48Å; M115-I119 WeakPolarHBondContact O-CG1 3.43Å; M115-I119 PolarHBondContact O-N 3.32Å; M115-I119 HydrophobicContact SD-CD1 3.84Å; M115-I119 HydrophobicContact SD-CG1 4.11Å; L116-I119 PolarHBondContact O-N 3.16Å; V117-I119 PolarHBondContact O-N 3.43Å; I119-V121 VanDerWaalsContact C-N 3.33Å; I119-V121 PolarHBondContact O-N 3.41Å; I119-F123 HydrophobicContact CB-CD2 4.31Å; I119-F123 HydrophobicContact CG2-CD2 3.8Å; I119-F123 HydrophobicContact CG2-CE2 4.37Å; I119-F123 WeakPolarHBondContact O-CB 3.3Å; I119-F123 WeakPolarHBondContact O-CD2 3.36Å; I119-F123 PolarHBondContact O-N 3.34Å; I119-F123 VanDerWaalsContact O-N 3.1Å; I119-L125 HydrophobicContact CG2-CD1 3.73Å |
| 120 | V | 83.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 179.3 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | L90 L116 V117 Q118 R124 L125 L127 F134 R365 | L90-V120 HydrophobicContact CD1-CG2 3.38Å; L116-V120 WeakPolarHBondContact O-CB 3.44Å; L116-V120 VanDerWaalsContact O-CG2 3.22Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 2.96Å; V117-V120 PolarHBondContact O-N 3.24Å; Q118-V120 PolarHBondContact O-N 2.87Å; V120-R124 CarbonylContact O-C 3.45Å; V120-R124 VanDerWaalsContact O-CA 3.23Å; V120-R124 WeakPolarHBondContact O-CA 3.22Å; V120-R124 PolarHBondContact O-N 3.06Å; V120-L125 PolarHBondContact O-N 3.29Å; V120-L127 HydrophobicContact CG1-CD2 4.37Å; V120-L127 HydrophobicContact CG2-CD2 3.84Å; V120-F134 HydrophobicContact CB-CE2 4.29Å; V120-F134 HydrophobicContact CB-CZ 4.42Å; V120-F134 HydrophobicContact CG1-CE2 4.02Å; V120-F134 HydrophobicContact CG1-CZ 3.79Å; V120-F134 HydrophobicContact CG2-CE2 4.3Å; V120-R365 HydrophobicContact CG1-CG 4.36Å; V120-R365 VanDerWaalsContact CG1-NE 3.35Å |
| 121 | V | 84 | Confident | 80.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -79 | -54.6 | -179.7 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | V117 Q118 I119 F123 R124 Y150 E153 A154 | V117-V121 HydrophobicContact CG1-CG2 4.34Å; V117-V121 WeakPolarHBondContact O-CB 3.4Å; V117-V121 WeakPolarHBondContact O-CG2 3.47Å; V117-V121 PolarHBondContact O-N 3Å; Q118-V121 PolarHBondContact O-N 2.97Å; I119-V121 VanDerWaalsContact C-N 3.33Å; I119-V121 PolarHBondContact O-N 3.41Å; V121-F123 PolarHBondContact O-N 2.82Å; V121-R124 PolarHBondContact O-N 2.91Å; V121-R124 VanDerWaalsContact O-N 3.1Å; V121-Y150 HydrophobicContact CB-CD1 3.95Å; V121-Y150 HydrophobicContact CG1-CD1 3.87Å; V121-E153 HydrophobicContact CG1-CB 4.1Å; V121-E153 VanDerWaalsContact CG1-CD 3.41Å; V121-E153 HydrophobicContact CG1-CG 4.05Å; V121-E153 VanDerWaalsContact CG1-OE2 3.26Å; V121-E153 WeakPolarHBondContact CG1-OE2 3.24Å; V121-A154 HydrophobicContact CG2-CB 3.8Å |
| 122 | Q | 80.9 | Confident | 79.3 | Confident | 75 Ų | 75 | 27.2 Ų | 27.2 | 35% | 0.35 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.2 | -46.3 | -175 | -175.2 | 178.5 | 1.1 | 0 | 0 | 112.5 | Q118 Y150 V220 | Q118-Q122 WeakPolarHBondContact O-CB 3.48Å; Q118-Q122 PolarHBondContact O-N 2.88Å; Q122-Y150 HydrophobicContact CB-CE1 4.04Å; Q122-V220 HydrophobicContact CG-CG2 4.05Å |
| 123 | F | 75.5 | Confident | 78.8 | Confident | 36 Ų | 36 | 30.8 Ų | 30.8 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.4 | 179.2 | -57.3 | -70.4 | 0 | 0 | 0 | 113.3 | P82 D83 R86 I119 V121 L125 R358 | P82-F123 HydrophobicContact CB-CE2 4.28Å; P82-F123 HydrophobicContact CB-CZ 4.37Å; D83-F123 HydrophobicContact CB-CE1 4.46Å; D83-F123 WeakPolarHBondContact OD1-CE1 3.3Å; D83-F123 WeakPolarHBondContact OD1-CZ 3.5Å; R86-F123 HydrophobicContact CB-CD2 4.19Å; R86-F123 HydrophobicContact CB-CG 4.37Å; I119-F123 HydrophobicContact CB-CD2 4.31Å; I119-F123 HydrophobicContact CG2-CD2 3.8Å; I119-F123 HydrophobicContact CG2-CE2 4.37Å; I119-F123 WeakPolarHBondContact O-CB 3.3Å; I119-F123 WeakPolarHBondContact O-CD2 3.36Å; I119-F123 PolarHBondContact O-N 3.34Å; I119-F123 VanDerWaalsContact O-N 3.1Å; V121-F123 PolarHBondContact O-N 2.82Å; F123-L125 VanDerWaalsContact C-N 3.28Å; F123-L125 HydrophobicContact CB-CD1 4.47Å; F123-L125 HydrophobicContact CB-CD2 4.37Å; F123-L125 HydrophobicContact CB-CG 3.98Å; F123-L125 PolarHBondContact O-N 2.96Å; F123-R358 PolarHBondContact O-NH1 2.9Å |
| 124 | R | 78.5 | Confident | 78.6 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.045 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 42.9 | -177.3 | -61.4 | -176.3 | 174 | -169.3 | -0.9 | 112.7 | V120 V121 R358 P363 | V120-R124 CarbonylContact O-C 3.45Å; V120-R124 VanDerWaalsContact O-CA 3.23Å; V120-R124 WeakPolarHBondContact O-CA 3.22Å; V120-R124 PolarHBondContact O-N 3.06Å; V121-R124 PolarHBondContact O-N 2.91Å; V121-R124 VanDerWaalsContact O-N 3.1Å; R124-R358 PolarHBondContact O-NH1 2.79Å; R124-R358 PolarHBondContact O-NH2 3.37Å; R124-P363 VanDerWaalsContact O-CD 3.23Å; R124-P363 WeakPolarHBondContact O-CD 3.44Å; R124-P363 WeakPolarHBondContact O-CG 3.27Å |
| 125 | L | 76.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 144.4 | -175.3 | -64.5 | 178.6 | 0 | 0 | 0 | 112.4 | R86 L90 I119 V120 F123 P363 | R86-L125 HydrophobicContact CB-CD1 4.07Å; R86-L125 HydrophobicContact CG-CD1 4.28Å; R86-L125 HydrophobicContact CG-CD2 4.37Å; L90-L125 HydrophobicContact CB-CD1 4.31Å; L90-L125 HydrophobicContact CD2-CB 4.24Å; L90-L125 HydrophobicContact CD2-CD1 4.13Å; I119-L125 HydrophobicContact CG2-CD1 3.73Å; V120-L125 PolarHBondContact O-N 3.29Å; F123-L125 VanDerWaalsContact C-N 3.28Å; F123-L125 HydrophobicContact CB-CD1 4.47Å; F123-L125 HydrophobicContact CB-CD2 4.37Å; F123-L125 HydrophobicContact CB-CG 3.98Å; F123-L125 PolarHBondContact O-N 2.96Å; L125-P363 WeakPolarHBondContact O-CG 3.33Å |
| 126 | P | 76.3 | Confident | 77.6 | Confident | 10 Ų | 10 | 30.1 Ų | 30.1 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 152.5 | 166.8 | 29 | -30.5 | 0 | 0 | 0 | 110.7 | L90 E335 L339 P363 | L90-P126 WeakPolarHBondContact CD2-O 3.43Å; P126-E335 HydrophobicContact CG-CG 4.04Å; P126-L339 HydrophobicContact CG-CD1 3.89Å; P126-L339 WeakPolarHBondContact O-CD1 3.32Å; P126-P363 HydrophobicContact CB-CB 4.14Å |
| 127 | L | 75.9 | Confident | 77.4 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 9% | 0.089 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -80 | 151.8 | 174.6 | -68.1 | 168.1 | 0 | 0 | 0 | 111 | V120 F131 F134 R365 | V120-L127 HydrophobicContact CG1-CD2 4.37Å; V120-L127 HydrophobicContact CG2-CD2 3.84Å; L127-F131 HydrophobicContact CD2-CD1 4.16Å; L127-F134 HydrophobicContact CD1-CB 3.61Å; L127-F134 HydrophobicContact CD1-CD1 3.7Å; L127-F134 HydrophobicContact CD1-CD2 3.93Å; L127-F134 HydrophobicContact CD1-CE1 4.37Å; L127-F134 HydrophobicContact CD1-CG 3.46Å; L127-F134 VanDerWaalsContact CD1-CG 3.46Å; L127-F134 HydrophobicContact CD2-CD2 3.71Å; L127-F134 HydrophobicContact CD2-CE2 4.06Å; L127-F134 HydrophobicContact CD2-CG 4.14Å; L127-F134 HydrophobicContact CG-CD2 4.46Å; L127-F134 HydrophobicContact CG-CG 4.44Å; L127-R365 HydrophobicContact CD1-CB 3.77Å; L127-R365 HydrophobicContact CD1-CG 4.28Å; L127-R365 VanDerWaalsContact CD1-O 3.29Å; L127-R365 WeakPolarHBondContact CD1-O 3.24Å; L127-R365 HydrophobicContact CG-CB 4.5Å |
| 128 | P | 69.6 | Low | 77.3 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -63 | 142.3 | 170.8 | -18.7 | 32.2 | 0 | 0 | 0 | 111.3 | T94 D130 F131 L339 | T94-P128 HydrophobicContact CG2-CG 4.09Å; P128-D130 PolarHBondContact O-N 3.29Å; P128-D130 VanDerWaalsContact O-N 3.11Å; P128-F131 HydrophobicContact CB-CB 4.48Å; P128-F131 WeakPolarHBondContact O-CB 3.25Å; P128-F131 PolarHBondContact O-N 3.47Å; P128-L339 HydrophobicContact CG-CB 4.47Å |
| 129 | F | 65.6 | Low | 77.1 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 13% | 0.127 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.2 | -176.5 | -71.8 | -59.1 | 0 | 0 | 0 | 115 | F131 Y333 S336 E337 S340 N367 N369 | F129-F131 PolarHBondContact O-N 2.94Å; F129-Y333 HydrophobicContact CZ-CD2 4.5Å; F129-Y333 HydrophobicContact CZ-CE2 4.24Å; F129-S336 WeakPolarHBondContact CZ-OG 3.5Å; F129-E337 HydrophobicContact CE2-CB 4.19Å; F129-S340 WeakPolarHBondContact CD2-OG 3.3Å; F129-N367 PolarHBondContact O-ND2 2.83Å; F129-N369 PolarHBondContact O-ND2 3.28Å |
| 130 | D | 64.5 | Low | 77 | Confident | 108 Ų | 108 | 29.5 Ų | 29.5 | 58% | 0.578 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 0.4 | -177.2 | -48.9 | -34.8 | 0 | 0 | 0 | 113.2 | P128 | P128-D130 PolarHBondContact O-N 3.29Å; P128-D130 VanDerWaalsContact O-N 3.11Å |
| 131 | F | 71.6 | Confident | 77 | Confident | 19 Ų | 19 | 29.5 Ų | 29.5 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | trans | -99.6 | 102.5 | -171.4 | -162.7 | -103.8 | 0 | 0 | 0 | 111.9 | T94 L116 L127 P128 F129 F134 I137 N367 | T94-F131 HydrophobicContact CG2-CD2 3.71Å; T94-F131 HydrophobicContact CG2-CE2 3.74Å; T94-F131 HydrophobicContact CG2-CG 4.09Å; T94-F131 HydrophobicContact CG2-CZ 4.13Å; L116-F131 HydrophobicContact CD2-CE1 3.76Å; L116-F131 HydrophobicContact CD2-CZ 3.57Å; L127-F131 HydrophobicContact CD2-CD1 4.16Å; P128-F131 HydrophobicContact CB-CB 4.48Å; P128-F131 WeakPolarHBondContact O-CB 3.25Å; P128-F131 PolarHBondContact O-N 3.47Å; F129-F131 PolarHBondContact O-N 2.94Å; F131-F134 HydrophobicContact CD1-CB 3.99Å; F131-F134 HydrophobicContact CE1-CB 3.79Å; F131-F134 HydrophobicContact CE1-CD2 4.14Å; F131-F134 HydrophobicContact CE1-CG 4.46Å; F131-I137 HydrophobicContact CE1-CD1 3.81Å; F131-I137 HydrophobicContact CE2-CD1 4.31Å; F131-I137 HydrophobicContact CZ-CD1 3.28Å; F131-N367 PolarHBondContact O-ND2 2.9Å | ||
| 132 | N | 70 | Confident | 77 | Confident | 97 Ų | 97 | 30.2 Ų | 30.2 | 52% | 0.519 | 15% | 0.15 | S | C | . | . | trans | -99.9 | -17.3 | -178.8 | -66.3 | -8.8 | 0 | 0 | 0 | 113.7 | F134 N367 | N132-F134 VanDerWaalsContact C-N 3.3Å; N132-F134 PolarHBondContact O-N 3.27Å; N132-N367 PolarHBondContact OD1-ND2 3.17Å | ||
| 133 | E | 73.6 | Confident | 77.1 | Confident | 86 Ų | 86 | 33.5 Ų | 33.5 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 7.2 | -169.7 | -59.9 | -176.6 | 179.5 | 0 | 0 | 114.6 | N135 D136 I137 | E133-N135 PolarHBondContact O-N 3.43Å; E133-D136 PolarHBondContact O-N 3.06Å; E133-I137 HydrophobicContact CB-CD1 4.17Å; E133-I137 WeakPolarHBondContact O-CD1 3.31Å; E133-I137 VanDerWaalsContact O-CG1 3.27Å; E133-I137 WeakPolarHBondContact O-CG1 3.44Å; E133-I137 PolarHBondContact O-N 2.91Å |
| 134 | F | 82.7 | Confident | 77.4 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | -171.5 | -173.8 | -108.4 | 0 | 0 | 0 | 113.5 | L116 V117 V120 L127 F131 N132 I137 C138 A154 L158 R365 | L116-F134 HydrophobicContact CD2-CD2 4.28Å; V117-F134 HydrophobicContact CG2-CE2 3.95Å; V117-F134 HydrophobicContact CG2-CZ 4.38Å; V120-F134 HydrophobicContact CB-CE2 4.29Å; V120-F134 HydrophobicContact CB-CZ 4.42Å; V120-F134 HydrophobicContact CG1-CE2 4.02Å; V120-F134 HydrophobicContact CG1-CZ 3.79Å; V120-F134 HydrophobicContact CG2-CE2 4.3Å; L127-F134 HydrophobicContact CD1-CB 3.61Å; L127-F134 HydrophobicContact CD1-CD1 3.7Å; L127-F134 HydrophobicContact CD1-CD2 3.93Å; L127-F134 HydrophobicContact CD1-CE1 4.37Å; L127-F134 HydrophobicContact CD1-CG 3.46Å; L127-F134 VanDerWaalsContact CD1-CG 3.46Å; L127-F134 HydrophobicContact CD2-CD2 3.71Å; L127-F134 HydrophobicContact CD2-CE2 4.06Å; L127-F134 HydrophobicContact CD2-CG 4.14Å; L127-F134 HydrophobicContact CG-CD2 4.46Å; L127-F134 HydrophobicContact CG-CG 4.44Å; F131-F134 HydrophobicContact CD1-CB 3.99Å; F131-F134 HydrophobicContact CE1-CB 3.79Å; F131-F134 HydrophobicContact CE1-CD2 4.14Å; F131-F134 HydrophobicContact CE1-CG 4.46Å; N132-F134 VanDerWaalsContact C-N 3.3Å; N132-F134 PolarHBondContact O-N 3.27Å; F134-I137 PolarHBondContact O-N 2.58Å; F134-C138 PolarHBondContact O-N 2.92Å; F134-C138 PolarHBondContact O-SG 3.34Å; F134-C138 VanDerWaalsContact O-SG 3.41Å; F134-A154 HydrophobicContact CE1-CB 4.04Å; F134-A154 HydrophobicContact CZ-CB 3.92Å; F134-L158 HydrophobicContact CD1-CD1 3.69Å; F134-L158 HydrophobicContact CD1-CD2 4.09Å; F134-L158 HydrophobicContact CD1-CG 4.21Å; F134-L158 HydrophobicContact CE1-CD1 3.87Å; F134-L158 HydrophobicContact CE1-CD2 4.45Å; F134-L158 HydrophobicContact CE1-CG 4.23Å; F134-R365 HydrophobicContact CD1-CB 4.18Å; F134-R365 HydrophobicContact CE1-CB 4.12Å; F134-R365 HydrophobicContact CE1-CG 4.34Å |
| 135 | N | 78.4 | Confident | 77.6 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 175.6 | -177.4 | 59.8 | 0 | 0 | 0 | 111.9 | E133 I137 C138 E139 L158 K190 V191 | E133-N135 PolarHBondContact O-N 3.43Å; N135-I137 PolarHBondContact O-N 2.82Å; N135-C138 PolarHBondContact O-N 3.43Å; N135-C138 VanDerWaalsContact O-N 3.15Å; N135-E139 PolarHBondContact O-N 3.45Å; N135-L158 HydrophobicContact CB-CD1 4.12Å; N135-K190 VanDerWaalsContact ND2-C 3.34Å; N135-K190 PolarHBondContact ND2-O 3.36Å; N135-V191 HydrophobicContact CB-CG2 4.5Å |
| 136 | D | 77.9 | Confident | 77.8 | Confident | 54 Ų | 54 | 41 Ų | 41 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -32.2 | 177 | -72.6 | -0.3 | 0 | 0 | 0 | 111.9 | K102 E133 F140 | K102-D136 IonicContact NZ-OD2 2.73Å; E133-D136 PolarHBondContact O-N 3.06Å; D136-F140 WeakPolarHBondContact O-CB 3.42Å; D136-F140 PolarHBondContact O-N 3.32Å |
| 137 | I | 83.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.9 | -43.3 | 176.3 | -69.3 | 161.9 | 0 | 0 | 0 | 111.2 | I97 A113 L116 V117 F131 E133 F134 N135 F140 I141 | I97-I137 HydrophobicContact CD1-CD1 4.25Å; I97-I137 HydrophobicContact CG2-CD1 3.93Å; A113-I137 HydrophobicContact CB-CG2 3.71Å; L116-I137 HydrophobicContact CD2-CD1 4.05Å; V117-I137 HydrophobicContact CG2-CG2 4.06Å; F131-I137 HydrophobicContact CE1-CD1 3.81Å; F131-I137 HydrophobicContact CE2-CD1 4.31Å; F131-I137 HydrophobicContact CZ-CD1 3.28Å; E133-I137 HydrophobicContact CB-CD1 4.17Å; E133-I137 WeakPolarHBondContact O-CD1 3.31Å; E133-I137 VanDerWaalsContact O-CG1 3.27Å; E133-I137 WeakPolarHBondContact O-CG1 3.44Å; E133-I137 PolarHBondContact O-N 2.91Å; F134-I137 PolarHBondContact O-N 2.58Å; N135-I137 PolarHBondContact O-N 2.82Å; I137-F140 PolarHBondContact O-N 2.93Å; I137-I141 HydrophobicContact CG2-CD1 3.88Å; I137-I141 WeakPolarHBondContact O-CD1 3.35Å; I137-I141 VanDerWaalsContact O-CG1 3.23Å; I137-I141 WeakPolarHBondContact O-CG1 3.48Å; I137-I141 PolarHBondContact O-N 3.25Å |
| 138 | C | 84.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 174.4 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | F134 N135 I141 L142 | F134-C138 PolarHBondContact O-N 2.92Å; F134-C138 PolarHBondContact O-SG 3.34Å; F134-C138 VanDerWaalsContact O-SG 3.41Å; N135-C138 PolarHBondContact O-N 3.43Å; N135-C138 VanDerWaalsContact O-N 3.15Å; C138-I141 PolarHBondContact O-N 3.16Å; C138-L142 WeakPolarHBondContact O-CG 3.47Å; C138-L142 PolarHBondContact O-N 3.29Å |
| 139 | E | 81.7 | Confident | 79.3 | Confident | 28 Ų | 28 | 47 Ų | 47 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 175.9 | -69.7 | -61.4 | 152.3 | 0 | 0 | 111.7 | N135 I141 L142 E143 P192 R203 | N135-E139 PolarHBondContact O-N 3.45Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 2.72Å; E139-L142 PolarHBondContact O-N 3.2Å; E139-L142 VanDerWaalsContact O-N 3.16Å; E139-E143 WeakPolarHBondContact O-CG 3.32Å; E139-E143 PolarHBondContact O-N 3.43Å; E139-P192 WeakPolarHBondContact OE1-CD 3.31Å; E139-P192 WeakPolarHBondContact OE1-CG 3.11Å; E139-R203 IonicContact OE1-CZ 2.79Å; E139-R203 IonicContact OE1-NH1 2.78Å; E139-R203 PolarHBondContact OE1-NH1 3.04Å; E139-R203 IonicContact OE1-NH2 3.4Å; E139-R203 PolarHBondContact OE1-NH2 3.15Å; E139-R203 IonicContact OE2-CZ 3.01Å; E139-R203 IonicContact OE2-NH1 3.46Å; E139-R203 PolarHBondContact OE2-NH1 3Å; E139-R203 IonicContact OE2-NH2 3.89Å; E139-R203 PolarHBondContact OE2-NH2 2.96Å |
| 140 | F | 82.3 | Confident | 80.3 | Confident | 23 Ų | 23 | 48 Ų | 48 | 10% | 0.101 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 176.1 | 179.5 | -93.3 | 0 | 0 | 0 | 113 | Y109 L110 D136 I137 H144 | Y109-F140 AromaticContact CD1-CD1 3.87Å; Y109-F140 HydrophobicContact CD1-CD1 3.87Å; Y109-F140 AromaticContact CD1-CE1 3.47Å; Y109-F140 HydrophobicContact CD1-CE1 3.47Å; Y109-F140 VanDerWaalsContact CD1-CE1 3.47Å; Y109-F140 AromaticContact CD1-CZ 3.92Å; Y109-F140 HydrophobicContact CD1-CZ 3.92Å; Y109-F140 AromaticContact CE1-CD1 3.7Å; Y109-F140 HydrophobicContact CE1-CD1 3.7Å; Y109-F140 AromaticContact CE1-CE1 3.81Å; Y109-F140 HydrophobicContact CE1-CE1 3.81Å; Y109-F140 HydrophobicContact CE1-CG 4.16Å; Y109-F140 HydrophobicContact CE1-CZ 4.32Å; L110-F140 HydrophobicContact CB-CE1 4.22Å; L110-F140 HydrophobicContact CD1-CD1 4.25Å; L110-F140 HydrophobicContact CD1-CE1 3.91Å; D136-F140 WeakPolarHBondContact O-CB 3.42Å; D136-F140 PolarHBondContact O-N 3.32Å; I137-F140 PolarHBondContact O-N 2.93Å; F140-H144 AromaticContact CD2-CE1 3.76Å; F140-H144 AromaticContact CD2-ND1 4Å; F140-H144 AromaticContact CE2-CE1 3.26Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.32Å; F140-H144 AromaticContact CE2-ND1 3.81Å; F140-H144 AromaticContact CZ-CE1 3.5Å; F140-H144 VanDerWaalsContact CZ-CE1 3.5Å; F140-H144 WeakPolarHBondContact CZ-CE1 3.43Å; F140-H144 AromaticContact CZ-ND1 3.84Å; F140-H144 AromaticContact CZ-NE2 3.94Å; F140-H144 PolarHBondContact O-N 3Å; F140-H144 PolarHBondContact O-ND1 3.4Å |
| 141 | I | 84.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -46.1 | 174.9 | -66.8 | 159.8 | 0 | 0 | 0 | 109.9 | L110 A113 K114 V117 I137 C138 E139 E143 H144 D145 N148 A151 | L110-I141 HydrophobicContact CD1-CG1 4.34Å; A113-I141 HydrophobicContact CB-CD1 3.99Å; A113-I141 HydrophobicContact CB-CG1 3.97Å; K114-I141 HydrophobicContact CG-CG1 4.31Å; K114-I141 HydrophobicContact CG-CG2 4.13Å; V117-I141 HydrophobicContact CB-CD1 3.98Å; V117-I141 HydrophobicContact CG2-CD1 3.43Å; V117-I141 VanDerWaalsContact CG2-CD1 3.43Å; I137-I141 HydrophobicContact CG2-CD1 3.88Å; I137-I141 WeakPolarHBondContact O-CD1 3.35Å; I137-I141 VanDerWaalsContact O-CG1 3.23Å; I137-I141 WeakPolarHBondContact O-CG1 3.48Å; I137-I141 PolarHBondContact O-N 3.25Å; C138-I141 PolarHBondContact O-N 3.16Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 2.72Å; I141-E143 VanDerWaalsContact C-N 3.27Å; I141-E143 PolarHBondContact O-N 2.97Å; I141-H144 CarbonylContact O-C 3.59Å; I141-H144 PolarHBondContact O-N 3.22Å; I141-H144 VanDerWaalsContact O-N 3.11Å; I141-D145 HydrophobicContact CG2-CB 4.41Å; I141-D145 CarbonylContact O-C 3.43Å; I141-D145 WeakPolarHBondContact O-CA 3.11Å; I141-D145 PolarHBondContact O-N 2.85Å; I141-N148 HydrophobicContact CG2-CB 3.91Å; I141-A151 HydrophobicContact CB-CB 4.13Å; I141-A151 HydrophobicContact CG2-CB 3.72Å |
| 142 | L | 83.1 | Confident | 82 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -28.8 | 179.8 | -69.5 | 175.6 | 0 | 0 | 0 | 112.9 | C138 E139 P146 A151 L152 T155 | C138-L142 WeakPolarHBondContact O-CG 3.47Å; C138-L142 PolarHBondContact O-N 3.29Å; E139-L142 PolarHBondContact O-N 3.2Å; E139-L142 VanDerWaalsContact O-N 3.16Å; L142-P146 VanDerWaalsContact O-CA 3.27Å; L142-P146 WeakPolarHBondContact O-CA 3.26Å; L142-P146 WeakPolarHBondContact O-CB 3.5Å; L142-A151 HydrophobicContact CD2-CB 3.8Å; L142-A151 HydrophobicContact CG-CB 3.97Å; L142-L152 HydrophobicContact CD1-CD2 4.3Å; L142-L152 HydrophobicContact CD2-CD2 3.63Å; L142-L152 HydrophobicContact CD2-CG 3.78Å; L142-T155 HydrophobicContact CD1-CG2 4.32Å; L142-T155 WeakPolarHBondContact CD1-OG1 3.46Å |
| 143 | E | 82.3 | Confident | 82.8 | Confident | 144 Ų | 144 | 37.4 Ų | 37.4 | 67% | 0.673 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -65.8 | -36.4 | 171.5 | -76.4 | 177.3 | 175.6 | 0 | 0 | 112.6 | E139 I141 | E139-E143 WeakPolarHBondContact O-CG 3.32Å; E139-E143 PolarHBondContact O-N 3.43Å; I141-E143 VanDerWaalsContact C-N 3.27Å; I141-E143 PolarHBondContact O-N 2.97Å |
| 144 | H | 83 | Confident | 83.4 | Confident | 101 Ų | 101 | 33.3 Ų | 33.3 | 47% | 0.468 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -99.5 | -21.9 | -175.7 | -67.8 | 76.5 | 0 | 0 | 0 | 114.1 | L110 F140 I141 | L110-H144 HydrophobicContact CD1-CB 4Å; L110-H144 HydrophobicContact CD2-CB 4.17Å; F140-H144 AromaticContact CD2-CE1 3.76Å; F140-H144 AromaticContact CD2-ND1 4Å; F140-H144 AromaticContact CE2-CE1 3.26Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.32Å; F140-H144 AromaticContact CE2-ND1 3.81Å; F140-H144 AromaticContact CZ-CE1 3.5Å; F140-H144 VanDerWaalsContact CZ-CE1 3.5Å; F140-H144 WeakPolarHBondContact CZ-CE1 3.43Å; F140-H144 AromaticContact CZ-ND1 3.84Å; F140-H144 AromaticContact CZ-NE2 3.94Å; F140-H144 PolarHBondContact O-N 3Å; F140-H144 PolarHBondContact O-ND1 3.4Å; I141-H144 CarbonylContact O-C 3.59Å; I141-H144 PolarHBondContact O-N 3.22Å; I141-H144 VanDerWaalsContact O-N 3.11Å |
| 145 | D | 82.4 | Confident | 83.5 | Confident | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 17% | 0.168 | C | C | . | . | trans | -149.3 | 74.4 | -176 | -173.3 | 21.7 | 0 | 0 | 0 | 109 | K114 I141 D147 N148 | K114-D145 WeakPolarHBondContact CE-OD2 3.5Å; K114-D145 VanDerWaalsContact NZ-CG 3.27Å; K114-D145 IonicContact NZ-OD2 3.81Å; K114-D145 PolarHBondContact NZ-OD2 3.01Å; I141-D145 HydrophobicContact CG2-CB 4.41Å; I141-D145 CarbonylContact O-C 3.43Å; I141-D145 WeakPolarHBondContact O-CA 3.11Å; I141-D145 PolarHBondContact O-N 2.85Å; D145-D147 PolarHBondContact O-N 3.35Å; D145-N148 HydrophobicContact CB-CB 4.34Å; D145-N148 VanDerWaalsContact O-CB 3.26Å; D145-N148 WeakPolarHBondContact O-CB 3.4Å; D145-N148 PolarHBondContact O-N 3.35Å; D145-N148 PolarHBondContact OD2-ND2 2.97Å | ||
| 146 | P | 80 | Confident | 83.8 | Confident | 63 Ų | 63 | 32.4 Ų | 32.4 | 41% | 0.409 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.2 | -173.6 | 24.8 | -34.3 | 0 | 0 | 0 | 113.6 | L142 N148 | L142-P146 VanDerWaalsContact O-CA 3.27Å; L142-P146 WeakPolarHBondContact O-CA 3.26Å; L142-P146 WeakPolarHBondContact O-CB 3.5Å; P146-N148 VanDerWaalsContact C-N 3.26Å; P146-N148 PolarHBondContact O-N 3.47Å |
| 147 | D | 82 | Confident | 84.3 | Confident | 107 Ų | 107 | 29.9 Ų | 29.9 | 57% | 0.572 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6 | -179 | -59.3 | -27.8 | 0 | 0 | 0 | 112.7 | D145 L149 I210 | D145-D147 PolarHBondContact O-N 3.35Å; D147-L149 PolarHBondContact O-N 3.46Å; D147-I210 HydrophobicContact CB-CD1 4.26Å |
| 148 | N | 85.7 | Confident | 84.3 | Confident | 21 Ų | 21 | 30.1 Ų | 30.1 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | trans | -67.9 | 100.4 | -179.8 | -164.1 | -58.2 | 0 | 0 | 0 | 111.4 | I141 D145 P146 Y150 A151 L152 | I141-N148 HydrophobicContact CG2-CB 3.91Å; D145-N148 HydrophobicContact CB-CB 4.34Å; D145-N148 VanDerWaalsContact O-CB 3.26Å; D145-N148 WeakPolarHBondContact O-CB 3.4Å; D145-N148 PolarHBondContact O-N 3.35Å; D145-N148 PolarHBondContact OD2-ND2 2.97Å; P146-N148 VanDerWaalsContact C-N 3.26Å; P146-N148 PolarHBondContact O-N 3.47Å; N148-Y150 VanDerWaalsContact C-N 3.26Å; N148-Y150 PolarHBondContact O-N 2.98Å; N148-Y150 PolarHBondContact OD1-N 3.34Å; N148-A151 HydrophobicContact CB-CB 4Å; N148-A151 PolarHBondContact O-N 3.45Å; N148-A151 PolarHBondContact OD1-N 3.4Å; N148-L152 PolarHBondContact O-N 3.12Å | ||
| 149 | L | 86.3 | Confident | 84 | Confident | 26 Ų | 26 | 30.5 Ų | 30.5 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.7 | -39.6 | -177.3 | -167.1 | 105 | 0 | 0 | 0 | 113.2 | D147 L152 E153 F207 I210 L211 V220 A224 | D147-L149 PolarHBondContact O-N 3.46Å; L149-L152 PolarHBondContact O-N 2.97Å; L149-E153 WeakPolarHBondContact O-CB 3.37Å; L149-E153 PolarHBondContact O-N 3.49Å; L149-F207 HydrophobicContact CD1-CE2 4.17Å; L149-F207 HydrophobicContact CG-CE2 4.26Å; L149-I210 HydrophobicContact CD1-CG2 3.6Å; L149-L211 HydrophobicContact CD1-CD2 3.88Å; L149-L211 HydrophobicContact CD1-CG 4.36Å; L149-V220 HydrophobicContact CD2-CG1 3.57Å; L149-A224 HydrophobicContact CD2-CB 4.07Å; L149-A224 HydrophobicContact CG-CB 4.42Å |
| 150 | Y | 87 | Confident | 84.1 | Confident | 49 Ų | 49 | 29.2 Ų | 29.2 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.3 | -38.5 | 179.5 | -59.7 | -73.9 | 0 | 0 | 0 | 111.9 | V117 Q118 V121 Q122 N148 A154 V220 | V117-Y150 WeakPolarHBondContact CG1-O 3.49Å; Q118-Y150 HydrophobicContact CB-CD2 4.05Å; Q118-Y150 HydrophobicContact CB-CE2 4.28Å; Q118-Y150 HydrophobicContact CB-CG 4.24Å; Q118-Y150 HydrophobicContact CG-CD1 4.45Å; Q118-Y150 HydrophobicContact CG-CD2 4Å; Q118-Y150 HydrophobicContact CG-CE1 4.17Å; Q118-Y150 HydrophobicContact CG-CE2 3.71Å; Q118-Y150 HydrophobicContact CG-CG 4.36Å; V121-Y150 HydrophobicContact CB-CD1 3.95Å; V121-Y150 HydrophobicContact CG1-CD1 3.87Å; Q122-Y150 HydrophobicContact CB-CE1 4.04Å; N148-Y150 VanDerWaalsContact C-N 3.26Å; N148-Y150 PolarHBondContact O-N 2.98Å; N148-Y150 PolarHBondContact OD1-N 3.34Å; Y150-A154 VanDerWaalsContact O-CB 3.28Å; Y150-A154 WeakPolarHBondContact O-CB 3.47Å; Y150-A154 PolarHBondContact O-N 3.45Å; Y150-V220 HydrophobicContact CD1-CG1 4.13Å; Y150-V220 HydrophobicContact CE1-CB 4.34Å; Y150-V220 HydrophobicContact CE1-CG1 3.42Å; Y150-V220 VanDerWaalsContact CE1-CG1 3.42Å; Y150-V220 HydrophobicContact CE1-CG2 3.91Å |
| 151 | A | 85.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V117 I141 L142 N148 A154 T155 | V117-A151 HydrophobicContact CG1-CB 4.33Å; I141-A151 HydrophobicContact CB-CB 4.13Å; I141-A151 HydrophobicContact CG2-CB 3.72Å; L142-A151 HydrophobicContact CD2-CB 3.8Å; L142-A151 HydrophobicContact CG-CB 3.97Å; N148-A151 HydrophobicContact CB-CB 4Å; N148-A151 PolarHBondContact O-N 3.45Å; N148-A151 PolarHBondContact OD1-N 3.4Å; A151-A154 PolarHBondContact O-N 3.3Å; A151-T155 WeakPolarHBondContact O-CB 3.37Å; A151-T155 PolarHBondContact O-N 3.35Å; A151-T155 PolarHBondContact O-OG1 3Å |
| 152 | L | 85.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 173.2 | -71.6 | 173.6 | 0 | 0 | 0 | 111.5 | L142 N148 L149 A154 T155 F156 F207 I210 | L142-L152 HydrophobicContact CD1-CD2 4.3Å; L142-L152 HydrophobicContact CD2-CD2 3.63Å; L142-L152 HydrophobicContact CD2-CG 3.78Å; N148-L152 PolarHBondContact O-N 3.12Å; L149-L152 PolarHBondContact O-N 2.97Å; L152-A154 PolarHBondContact O-N 2.79Å; L152-T155 PolarHBondContact O-N 2.97Å; L152-F156 VanDerWaalsContact O-CD2 3.23Å; L152-F156 WeakPolarHBondContact O-CD2 3.35Å; L152-F156 PolarHBondContact O-N 3.49Å; L152-F207 HydrophobicContact CB-CD2 3.75Å; L152-F207 HydrophobicContact CB-CE2 3.97Å; L152-F207 HydrophobicContact CB-CG 4.4Å; L152-F207 HydrophobicContact CD1-CB 4.41Å; L152-F207 HydrophobicContact CD1-CD2 3.92Å; L152-F207 HydrophobicContact CG-CD2 4.47Å; L152-I210 HydrophobicContact CD1-CD1 3.55Å |
| 153 | E | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 177.4 | -171 | -178.1 | 158.7 | 0 | 0 | 111.3 | V121 L149 T155 R157 F207 T223 A224 T227 | V121-E153 HydrophobicContact CG1-CB 4.1Å; V121-E153 VanDerWaalsContact CG1-CD 3.41Å; V121-E153 HydrophobicContact CG1-CG 4.05Å; V121-E153 VanDerWaalsContact CG1-OE2 3.26Å; V121-E153 WeakPolarHBondContact CG1-OE2 3.24Å; L149-E153 WeakPolarHBondContact O-CB 3.37Å; L149-E153 PolarHBondContact O-N 3.49Å; E153-T155 VanDerWaalsContact C-N 3.33Å; E153-T155 PolarHBondContact O-N 2.95Å; E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 2.85Å; E153-R157 IonicContact OE1-CZ 3.55Å; E153-R157 VanDerWaalsContact OE1-CZ 3.31Å; E153-R157 IonicContact OE1-NE 2.72Å; E153-R157 PolarHBondContact OE1-NE 2.89Å; E153-R157 IonicContact OE1-NH2 2.74Å; E153-R157 PolarHBondContact OE1-NH2 3.05Å; E153-F207 HydrophobicContact CB-CZ 4.17Å; E153-T223 WeakPolarHBondContact OE1-CB 3.49Å; E153-T223 PolarHBondContact OE1-OG1 3.48Å; E153-T223 PolarHBondContact OE2-OG1 3.04Å; E153-A224 PolarHBondContact OE2-N 3.11Å; E153-T227 HydrophobicContact CG-CG2 3.94Å; E153-T227 WeakPolarHBondContact CG-OG1 3.47Å; E153-T227 PolarHBondContact OE1-OG1 3.42Å |
| 154 | A | 85.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V117 V121 F134 Y150 A151 L152 R157 L158 | V117-A154 HydrophobicContact CG1-CB 4.08Å; V121-A154 HydrophobicContact CG2-CB 3.8Å; F134-A154 HydrophobicContact CE1-CB 4.04Å; F134-A154 HydrophobicContact CZ-CB 3.92Å; Y150-A154 VanDerWaalsContact O-CB 3.28Å; Y150-A154 WeakPolarHBondContact O-CB 3.47Å; Y150-A154 PolarHBondContact O-N 3.45Å; A151-A154 PolarHBondContact O-N 3.3Å; L152-A154 PolarHBondContact O-N 2.79Å; A154-R157 PolarHBondContact O-N 2.92Å; A154-L158 WeakPolarHBondContact O-CB 3.48Å; A154-L158 VanDerWaalsContact O-CG 3.31Å; A154-L158 WeakPolarHBondContact O-CG 3.26Å; A154-L158 PolarHBondContact O-N 3.32Å |
| 155 | T | 84.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | -178.7 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | L142 A151 L152 E153 R157 L158 Q159 | L142-T155 HydrophobicContact CD1-CG2 4.32Å; L142-T155 WeakPolarHBondContact CD1-OG1 3.46Å; A151-T155 WeakPolarHBondContact O-CB 3.37Å; A151-T155 PolarHBondContact O-N 3.35Å; A151-T155 PolarHBondContact O-OG1 3Å; L152-T155 PolarHBondContact O-N 2.97Å; E153-T155 VanDerWaalsContact C-N 3.33Å; E153-T155 PolarHBondContact O-N 2.95Å; T155-R157 PolarHBondContact O-N 2.98Å; T155-L158 PolarHBondContact O-N 2.62Å; T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.17Å |
| 156 | F | 85.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 175.9 | -78.4 | -61 | 0 | 0 | 0 | 112.4 | L152 Q159 I160 Y200 R203 F207 T227 | L152-F156 VanDerWaalsContact O-CD2 3.23Å; L152-F156 WeakPolarHBondContact O-CD2 3.35Å; L152-F156 PolarHBondContact O-N 3.49Å; F156-Q159 VanDerWaalsContact CD1-OE1 3.23Å; F156-Q159 PolarHBondContact O-N 2.87Å; F156-I160 VanDerWaalsContact O-CG1 3.29Å; F156-I160 WeakPolarHBondContact O-CG1 3.36Å; F156-I160 PolarHBondContact O-N 2.94Å; F156-Y200 HydrophobicContact CD1-CE2 4.1Å; F156-Y200 HydrophobicContact CE1-CD2 4.33Å; F156-Y200 AromaticContact CE1-CE2 3.95Å; F156-Y200 HydrophobicContact CE1-CE2 3.95Å; F156-R203 HydrophobicContact CE2-CB 4.47Å; F156-R203 HydrophobicContact CZ-CB 3.77Å; F156-F207 AromaticContact CD2-CD1 3.68Å; F156-F207 HydrophobicContact CD2-CD1 3.68Å; F156-F207 HydrophobicContact CD2-CE1 4.01Å; F156-F207 HydrophobicContact CD2-CG 4.22Å; F156-F207 HydrophobicContact CE2-CB 3.8Å; F156-F207 AromaticContact CE2-CD1 3.67Å; F156-F207 HydrophobicContact CE2-CD1 3.67Å; F156-F207 HydrophobicContact CE2-CE1 4.45Å; F156-F207 AromaticContact CE2-CG 3.88Å; F156-F207 HydrophobicContact CE2-CG 3.88Å; F156-T227 HydrophobicContact CB-CG2 3.67Å |
| 157 | R | 87.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 173.6 | -70.7 | -174.7 | -173.6 | -99 | 2.2 | 111.2 | E153 A154 T155 Q159 I160 E161 T227 D294 | E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 2.85Å; E153-R157 IonicContact OE1-CZ 3.55Å; E153-R157 VanDerWaalsContact OE1-CZ 3.31Å; E153-R157 IonicContact OE1-NE 2.72Å; E153-R157 PolarHBondContact OE1-NE 2.89Å; E153-R157 IonicContact OE1-NH2 2.74Å; E153-R157 PolarHBondContact OE1-NH2 3.05Å; A154-R157 PolarHBondContact O-N 2.92Å; T155-R157 PolarHBondContact O-N 2.98Å; R157-Q159 VanDerWaalsContact C-N 3.27Å; R157-Q159 PolarHBondContact O-N 3.49Å; R157-I160 WeakPolarHBondContact O-CB 3.45Å; R157-I160 PolarHBondContact O-N 2.99Å; R157-I160 VanDerWaalsContact O-N 3.11Å; R157-E161 WeakPolarHBondContact O-CG 3.46Å; R157-E161 PolarHBondContact O-N 3.5Å; R157-T227 HydrophobicContact CG-CG2 3.74Å; R157-T227 PolarHBondContact NE-OG1 2.98Å; R157-T227 PolarHBondContact NH2-OG1 3.33Å; R157-D294 IonicContact NH1-OD2 3.86Å |
| 158 | L | 83.2 | Confident | 81.2 | Confident | 6 Ų | 6 | 8.6 Ų | 8.6 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.3 | -39.1 | 175.3 | -76 | 170.7 | 0 | 0 | 0 | 112.7 | F134 N135 A154 T155 E161 Y162 R365 | F134-L158 HydrophobicContact CD1-CD1 3.69Å; F134-L158 HydrophobicContact CD1-CD2 4.09Å; F134-L158 HydrophobicContact CD1-CG 4.21Å; F134-L158 HydrophobicContact CE1-CD1 3.87Å; F134-L158 HydrophobicContact CE1-CD2 4.45Å; F134-L158 HydrophobicContact CE1-CG 4.23Å; N135-L158 HydrophobicContact CB-CD1 4.12Å; A154-L158 WeakPolarHBondContact O-CB 3.48Å; A154-L158 VanDerWaalsContact O-CG 3.31Å; A154-L158 WeakPolarHBondContact O-CG 3.26Å; A154-L158 PolarHBondContact O-N 3.32Å; T155-L158 PolarHBondContact O-N 2.62Å; L158-E161 PolarHBondContact O-N 3.29Å; L158-Y162 VanDerWaalsContact O-CB 3.26Å; L158-Y162 WeakPolarHBondContact O-CB 3.32Å; L158-Y162 PolarHBondContact O-N 2.95Å; L158-R365 HydrophobicContact CD2-CB 3.75Å |
| 159 | Q | 79.5 | Confident | 80.4 | Confident | 7 Ų | 7 | 7.9 Ų | 7.9 | 3% | 0.033 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.6 | -73.9 | 170.6 | -14.6 | 0 | 0 | 112.3 | T155 F156 R157 Y162 F163 V191 P192 Y200 | T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.17Å; F156-Q159 VanDerWaalsContact CD1-OE1 3.23Å; F156-Q159 PolarHBondContact O-N 2.87Å; R157-Q159 VanDerWaalsContact C-N 3.27Å; R157-Q159 PolarHBondContact O-N 3.49Å; Q159-Y162 PolarHBondContact O-N 3.43Å; Q159-F163 PolarHBondContact O-N 3.21Å; Q159-V191 HydrophobicContact CG-CG1 3.84Å; Q159-P192 PolarHBondContact NE2-O 2.88Å; Q159-Y200 VanDerWaalsContact OE1-CE2 3.28Å |
| 160 | I | 83.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 174.3 | -64.7 | 159.4 | 0 | 0 | 0 | 109.9 | F156 R157 Y162 F163 L164 L230 L234 H296 L300 | F156-I160 VanDerWaalsContact O-CG1 3.29Å; F156-I160 WeakPolarHBondContact O-CG1 3.36Å; F156-I160 PolarHBondContact O-N 2.94Å; R157-I160 WeakPolarHBondContact O-CB 3.45Å; R157-I160 PolarHBondContact O-N 2.99Å; R157-I160 VanDerWaalsContact O-N 3.11Å; I160-Y162 VanDerWaalsContact C-N 3.33Å; I160-Y162 PolarHBondContact O-N 2.66Å; I160-F163 PolarHBondContact O-N 3.45Å; I160-L164 HydrophobicContact CG2-CD1 3.79Å; I160-L164 HydrophobicContact CG2-CG 4.24Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 2.98Å; I160-L164 PolarHBondContact O-N 3.28Å; I160-L230 HydrophobicContact CD1-CB 3.77Å; I160-L234 HydrophobicContact CB-CD2 4.1Å; I160-L234 HydrophobicContact CG1-CD2 3.59Å; I160-L234 HydrophobicContact CG2-CD2 4.5Å; I160-H296 HydrophobicContact CG2-CB 4.08Å; I160-L300 HydrophobicContact CG1-CD1 4.47Å; I160-L300 HydrophobicContact CG2-CD1 3.82Å; I160-L300 HydrophobicContact CG2-CD2 4.42Å; I160-L300 HydrophobicContact CG2-CG 4.19Å |
| 161 | E | 82.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 178.7 | -64.6 | 173.6 | -161.1 | 0 | 0 | 111.6 | R157 L158 F163 L164 F165 H296 F364 R365 F366 | R157-E161 WeakPolarHBondContact O-CG 3.46Å; R157-E161 PolarHBondContact O-N 3.5Å; L158-E161 PolarHBondContact O-N 3.29Å; E161-F163 PolarHBondContact O-N 2.64Å; E161-L164 PolarHBondContact O-N 3.04Å; E161-F165 WeakPolarHBondContact O-CD2 3.45Å; E161-F165 PolarHBondContact O-N 2.87Å; E161-F165 VanDerWaalsContact O-N 3.09Å; E161-H296 WeakPolarHBondContact CG-NE2 3.37Å; E161-H296 IonicContact OE1-CE1 3.15Å; E161-H296 IonicContact OE1-NE2 3.4Å; E161-H296 PolarHBondContact OE1-NE2 3.35Å; E161-F364 HydrophobicContact CB-CD1 3.94Å; E161-F364 HydrophobicContact CB-CE1 4.17Å; E161-F364 HydrophobicContact CG-CD1 3.45Å; E161-F364 VanDerWaalsContact CG-CD1 3.45Å; E161-F364 HydrophobicContact CG-CE1 3.75Å; E161-F364 HydrophobicContact CG-CG 4.32Å; E161-F364 WeakPolarHBondContact OE1-CA 3.47Å; E161-R365 VanDerWaalsContact CD-N 3.25Å; E161-R365 PolarHBondContact OE1-N 3.41Å; E161-R365 VanDerWaalsContact OE1-N 3.1Å; E161-R365 IonicContact OE1-NH1 3.89Å; E161-R365 WeakPolarHBondContact OE2-CA 3.05Å; E161-R365 PolarHBondContact OE2-N 3.44Å; E161-F366 HydrophobicContact CB-CB 3.99Å; E161-F366 WeakPolarHBondContact OE2-CB 3.3Å; E161-F366 PolarHBondContact OE2-N 3.44Å |
| 162 | Y | 76.6 | Confident | 78.4 | Confident | 4 Ų | 4 | 6.6 Ų | 6.6 | 2% | 0.016 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.4 | -172.3 | -84.3 | 0 | 0 | 0 | 112.1 | L158 Q159 I160 F165 Y166 F182 I185 T186 S189 V191 F366 | L158-Y162 VanDerWaalsContact O-CB 3.26Å; L158-Y162 WeakPolarHBondContact O-CB 3.32Å; L158-Y162 PolarHBondContact O-N 2.95Å; Q159-Y162 PolarHBondContact O-N 3.43Å; I160-Y162 VanDerWaalsContact C-N 3.33Å; I160-Y162 PolarHBondContact O-N 2.66Å; Y162-F165 PolarHBondContact O-N 3.37Å; Y162-Y166 HydrophobicContact CD1-CD2 4.23Å; Y162-Y166 AromaticContact CD2-CD2 3.6Å; Y162-Y166 HydrophobicContact CD2-CD2 3.6Å; Y162-Y166 AromaticContact CD2-CE2 3.84Å; Y162-Y166 HydrophobicContact CD2-CE2 3.84Å; Y162-Y166 AromaticContact CE1-CD2 3.94Å; Y162-Y166 HydrophobicContact CE1-CD2 3.94Å; Y162-Y166 HydrophobicContact CE1-CG 4.34Å; Y162-Y166 AromaticContact CE2-CD2 3.28Å; Y162-Y166 HydrophobicContact CE2-CD2 3.28Å; Y162-Y166 AromaticContact CE2-CE2 3.45Å; Y162-Y166 HydrophobicContact CE2-CE2 3.45Å; Y162-Y166 VanDerWaalsContact CE2-CE2 3.45Å; Y162-Y166 HydrophobicContact CE2-CG 4.26Å; Y162-Y166 HydrophobicContact CG-CD2 4.06Å; Y162-Y166 AromaticContact CZ-CD2 3.47Å; Y162-Y166 VanDerWaalsContact CZ-CD2 3.47Å; Y162-Y166 PolarHBondContact O-N 3.43Å; Y162-F182 HydrophobicContact CD1-CE2 4.15Å; Y162-F182 HydrophobicContact CD1-CZ 4.25Å; Y162-F182 AromaticContact CE1-CE2 3.84Å; Y162-F182 HydrophobicContact CE1-CE2 3.84Å; Y162-F182 HydrophobicContact CE1-CZ 4.15Å; Y162-I185 WeakPolarHBondContact OH-CG2 3.3Å; Y162-I185 PolarHBondContact OH-O 3.33Å; Y162-T186 HydrophobicContact CE1-CG2 3.86Å; Y162-S189 VanDerWaalsContact CE2-CB 3.4Å; Y162-S189 WeakPolarHBondContact CE2-OG 3.35Å; Y162-S189 PolarHBondContact OH-OG 2.85Å; Y162-V191 HydrophobicContact CD2-CG2 4.21Å; Y162-F366 HydrophobicContact CD2-CD2 4.32Å; Y162-F366 AromaticContact CD2-CE2 3.81Å; Y162-F366 HydrophobicContact CD2-CE2 3.81Å; Y162-F366 HydrophobicContact CD2-CZ 4.39Å; Y162-F366 HydrophobicContact CE2-CE2 4.37Å |
| 163 | F | 77.3 | Confident | 78 | Confident | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.009 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -61.8 | -43.5 | 174.4 | 174.2 | -96.9 | 0 | 0 | 0 | 112 | Q159 I160 E161 F165 G167 F168 F171 F182 I194 L234 Y238 L303 | Q159-F163 PolarHBondContact O-N 3.21Å; I160-F163 PolarHBondContact O-N 3.45Å; E161-F163 PolarHBondContact O-N 2.64Å; F163-F165 VanDerWaalsContact C-N 3.28Å; F163-F165 PolarHBondContact O-N 2.94Å; F163-G167 CarbonylContact O-C 3.56Å; F163-G167 WeakPolarHBondContact O-CA 3.5Å; F163-G167 PolarHBondContact O-N 3.35Å; F163-F168 PolarHBondContact O-N 3.03Å; F163-F171 HydrophobicContact CE2-CB 4.46Å; F163-F171 HydrophobicContact CE2-CD2 4.24Å; F163-F171 HydrophobicContact CE2-CG 4.49Å; F163-F171 HydrophobicContact CZ-CB 4.07Å; F163-F171 HydrophobicContact CZ-CD1 4.33Å; F163-F171 AromaticContact CZ-CD2 3.63Å; F163-F171 HydrophobicContact CZ-CD2 3.63Å; F163-F171 HydrophobicContact CZ-CE2 4.07Å; F163-F171 AromaticContact CZ-CG 3.75Å; F163-F171 HydrophobicContact CZ-CG 3.75Å; F163-F182 HydrophobicContact CD2-CZ 4.26Å; F163-I194 HydrophobicContact CB-CD1 4.33Å; F163-I194 HydrophobicContact CD2-CD1 4.2Å; F163-I194 HydrophobicContact CG-CD1 4.39Å; F163-L234 HydrophobicContact CB-CD1 4.2Å; F163-L234 HydrophobicContact CB-CD2 4.3Å; F163-L234 HydrophobicContact CD1-CD1 3.23Å; F163-L234 HydrophobicContact CD2-CD1 4.07Å; F163-L234 HydrophobicContact CE1-CD1 3.43Å; F163-L234 VanDerWaalsContact CE1-CD1 3.43Å; F163-L234 HydrophobicContact CE2-CD1 4.24Å; F163-L234 HydrophobicContact CG-CD1 3.56Å; F163-L234 HydrophobicContact CZ-CD1 3.93Å; F163-Y238 HydrophobicContact CE2-CD2 4.2Å; F163-L303 HydrophobicContact CE1-CD1 3.92Å |
| 164 | L | 79.5 | Confident | 77.3 | Confident | 4 Ų | 4 | 9.7 Ų | 9.7 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | I | π-helix | trans | -62.9 | -31.2 | 179.8 | -71.2 | 171.9 | 0 | 0 | 0 | 113.1 | I160 E161 F168 L299 L300 L303 F364 W389 | I160-L164 HydrophobicContact CG2-CD1 3.79Å; I160-L164 HydrophobicContact CG2-CG 4.24Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 2.98Å; I160-L164 PolarHBondContact O-N 3.28Å; E161-L164 PolarHBondContact O-N 3.04Å; L164-F168 WeakPolarHBondContact O-CB 3.48Å; L164-L299 HydrophobicContact CD1-CB 4.02Å; L164-L299 HydrophobicContact CD1-CD1 3.85Å; L164-L299 HydrophobicContact CD2-CB 3.86Å; L164-L300 HydrophobicContact CD2-CD2 4.22Å; L164-L303 HydrophobicContact CD2-CD1 3.63Å; L164-F364 HydrophobicContact CD1-CE1 4.26Å; L164-F364 HydrophobicContact CD1-CZ 4.29Å; L164-W389 HydrophobicContact CD2-CH2 4.35Å; L164-W389 HydrophobicContact CD2-CZ2 3.95Å; L164-W389 PolarHBondContact O-NE1 3.4Å; L164-W389 VanDerWaalsContact O-NE1 3.12Å |
| 165 | F | 73.8 | Confident | 76.9 | Confident | 10 Ų | 10 | 9.7 Ų | 9.7 | 4% | 0.044 | 5% | 0.046 | C | C | . | . | I | π-helix | trans | -92.3 | -45.3 | 179.2 | -73.6 | -68.1 | 0 | 0 | 0 | 114.5 | E161 Y162 F163 F364 F366 L368 I382 I385 I386 W429 | E161-F165 WeakPolarHBondContact O-CD2 3.45Å; E161-F165 PolarHBondContact O-N 2.87Å; E161-F165 VanDerWaalsContact O-N 3.09Å; Y162-F165 PolarHBondContact O-N 3.37Å; F163-F165 VanDerWaalsContact C-N 3.28Å; F163-F165 PolarHBondContact O-N 2.94Å; F165-F364 AromaticContact CE2-CD1 3.49Å; F165-F364 HydrophobicContact CE2-CD1 3.49Å; F165-F364 VanDerWaalsContact CE2-CD1 3.49Å; F165-F364 AromaticContact CE2-CE1 3.62Å; F165-F364 HydrophobicContact CE2-CE1 3.62Å; F165-F364 HydrophobicContact CE2-CG 4.47Å; F165-F364 HydrophobicContact CZ-CD1 4.06Å; F165-F364 HydrophobicContact CZ-CE1 4.09Å; F165-F366 HydrophobicContact CD2-CD1 4.1Å; F165-L368 HydrophobicContact CD1-CD2 4.45Å; F165-L368 HydrophobicContact CG-CD2 4.5Å; F165-I382 HydrophobicContact CZ-CG2 3.92Å; F165-I385 HydrophobicContact CD1-CG2 4.32Å; F165-I385 HydrophobicContact CE1-CB 4.45Å; F165-I385 HydrophobicContact CE1-CG2 3.82Å; F165-I386 HydrophobicContact CE1-CG1 4.23Å; F165-I386 HydrophobicContact CZ-CD1 4.27Å; F165-I386 HydrophobicContact CZ-CG1 3.83Å; F165-W429 HydrophobicContact CD1-CH2 4.28Å; F165-W429 HydrophobicContact CD1-CZ2 4.2Å; F165-W429 PolarHBondContact O-NE1 3.28Å |
| 166 | Y | 69.6 | Low | 76.6 | Confident | 39 Ų | 39 | 9.7 Ų | 9.7 | 15% | 0.153 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -98.4 | -35.6 | -175.9 | -68.2 | -72.2 | 0 | 0 | 0 | 113.9 | Y162 F168 I185 F366 L371 | Y162-Y166 HydrophobicContact CD1-CD2 4.23Å; Y162-Y166 AromaticContact CD2-CD2 3.6Å; Y162-Y166 HydrophobicContact CD2-CD2 3.6Å; Y162-Y166 AromaticContact CD2-CE2 3.84Å; Y162-Y166 HydrophobicContact CD2-CE2 3.84Å; Y162-Y166 AromaticContact CE1-CD2 3.94Å; Y162-Y166 HydrophobicContact CE1-CD2 3.94Å; Y162-Y166 HydrophobicContact CE1-CG 4.34Å; Y162-Y166 AromaticContact CE2-CD2 3.28Å; Y162-Y166 HydrophobicContact CE2-CD2 3.28Å; Y162-Y166 AromaticContact CE2-CE2 3.45Å; Y162-Y166 HydrophobicContact CE2-CE2 3.45Å; Y162-Y166 VanDerWaalsContact CE2-CE2 3.45Å; Y162-Y166 HydrophobicContact CE2-CG 4.26Å; Y162-Y166 HydrophobicContact CG-CD2 4.06Å; Y162-Y166 AromaticContact CZ-CD2 3.47Å; Y162-Y166 VanDerWaalsContact CZ-CD2 3.47Å; Y162-Y166 PolarHBondContact O-N 3.43Å; Y166-F168 VanDerWaalsContact C-N 3.34Å; Y166-I185 HydrophobicContact CD1-CD1 3.9Å; Y166-I185 HydrophobicContact CD1-CG2 3.82Å; Y166-I185 HydrophobicContact CE1-CG2 3.98Å; Y166-I185 HydrophobicContact CG-CG2 4.24Å; Y166-F366 HydrophobicContact CD2-CZ 4.39Å; Y166-F366 AromaticContact CE2-CE1 3.66Å; Y166-F366 HydrophobicContact CE2-CE1 3.66Å; Y166-F366 HydrophobicContact CE2-CE2 4.13Å; Y166-F366 AromaticContact CE2-CZ 3.34Å; Y166-F366 HydrophobicContact CE2-CZ 3.34Å; Y166-F366 AromaticContact CZ-CZ 3.96Å; Y166-L371 HydrophobicContact CE1-CD2 3.65Å; Y166-L371 VanDerWaalsContact OH-CD2 3.31Å; Y166-L371 WeakPolarHBondContact OH-CD2 3.29Å |
| 167 | G | 65.5 | Low | 75.8 | Confident | 2 Ų | 2 | 10.6 Ų | 10.6 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -79.3 | -22.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F163 E170 F171 | F163-G167 CarbonylContact O-C 3.56Å; F163-G167 WeakPolarHBondContact O-CA 3.5Å; F163-G167 PolarHBondContact O-N 3.35Å; G167-E170 PolarHBondContact O-N 3.36Å; G167-F171 WeakPolarHBondContact O-CB 3.47Å; G167-F171 PolarHBondContact O-N 3.45Å |
| 168 | F | 74.1 | Confident | 74.6 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | -171.9 | 170.8 | -105.8 | 0 | 0 | 0 | 115.9 | F163 L164 Y166 E170 F171 M172 L303 W389 L393 W429 | F163-F168 PolarHBondContact O-N 3.03Å; L164-F168 WeakPolarHBondContact O-CB 3.48Å; Y166-F168 VanDerWaalsContact C-N 3.34Å; F168-E170 VanDerWaalsContact C-N 3.33Å; F168-E170 PolarHBondContact O-N 3.07Å; F168-F171 CarbonylContact O-C 3.55Å; F168-F171 PolarHBondContact O-N 3.41Å; F168-M172 HydrophobicContact CD1-CE 4.15Å; F168-M172 HydrophobicContact CD1-CG 4.34Å; F168-M172 HydrophobicContact CD2-CG 3.83Å; F168-M172 HydrophobicContact CE1-CE 3.44Å; F168-M172 VanDerWaalsContact CE1-CE 3.44Å; F168-M172 HydrophobicContact CE1-CG 3.91Å; F168-M172 HydrophobicContact CE1-SD 3.62Å; F168-M172 HydrophobicContact CE2-CG 3.3Å; F168-M172 HydrophobicContact CE2-SD 3.74Å; F168-M172 HydrophobicContact CG-CG 4.35Å; F168-M172 HydrophobicContact CZ-CE 3.7Å; F168-M172 HydrophobicContact CZ-CG 3.4Å; F168-M172 HydrophobicContact CZ-SD 3.16Å; F168-M172 WeakPolarHBondContact CZ-SD 3.39Å; F168-M172 PolarHBondContact O-N 3.37Å; F168-L303 HydrophobicContact CD2-CD2 3.49Å; F168-L303 VanDerWaalsContact CD2-CD2 3.49Å; F168-L303 HydrophobicContact CE2-CD2 3.37Å; F168-W389 AromaticContact CD1-CD1 3.18Å; F168-W389 AromaticContact CD1-CE2 3.87Å; F168-W389 HydrophobicContact CD1-CG 4.34Å; F168-W389 AromaticContact CD1-NE1 2.95Å; F168-W389 AromaticContact CD2-CE2 3.44Å; F168-W389 VanDerWaalsContact CD2-CE2 3.44Å; F168-W389 HydrophobicContact CD2-CH2 4.39Å; F168-W389 AromaticContact CD2-CZ2 3.32Å; F168-W389 HydrophobicContact CD2-CZ2 3.32Å; F168-W389 AromaticContact CD2-NE1 3.26Å; F168-W389 VanDerWaalsContact CD2-NE1 3.26Å; F168-W389 AromaticContact CE1-CD1 3.19Å; F168-W389 HydrophobicContact CE1-CD2 4.26Å; F168-W389 AromaticContact CE1-CE2 3.82Å; F168-W389 HydrophobicContact CE1-CG 4.03Å; F168-W389 AromaticContact CE1-NE1 3.23Å; F168-W389 HydrophobicContact CE2-CD2 4.26Å; F168-W389 AromaticContact CE2-CE2 3.4Å; F168-W389 VanDerWaalsContact CE2-CE2 3.4Å; F168-W389 HydrophobicContact CE2-CH2 4.06Å; F168-W389 AromaticContact CE2-CZ2 3.33Å; F168-W389 HydrophobicContact CE2-CZ2 3.33Å; F168-W389 AromaticContact CE2-NE1 3.53Å; F168-W389 AromaticContact CG-CD1 3.68Å; F168-W389 AromaticContact CG-CE2 3.62Å; F168-W389 AromaticContact CG-CZ2 3.94Å; F168-W389 HydrophobicContact CG-CZ2 3.94Å; F168-W389 AromaticContact CG-NE1 2.9Å; F168-W389 AromaticContact CZ-CD1 3.73Å; F168-W389 HydrophobicContact CZ-CD2 4.03Å; F168-W389 AromaticContact CZ-CE2 3.56Å; F168-W389 HydrophobicContact CZ-CG 4.26Å; F168-W389 AromaticContact CZ-CZ2 3.96Å; F168-W389 HydrophobicContact CZ-CZ2 3.96Å; F168-W389 AromaticContact CZ-NE1 3.48Å; F168-L393 HydrophobicContact CE2-CB 4.49Å; F168-L393 HydrophobicContact CE2-CD1 3.84Å; F168-L393 HydrophobicContact CE2-CD2 3.96Å; F168-L393 HydrophobicContact CE2-CG 4.33Å; F168-L393 HydrophobicContact CZ-CB 3.94Å; F168-L393 HydrophobicContact CZ-CD1 3.89Å; F168-L393 HydrophobicContact CZ-CD2 4.21Å; F168-L393 HydrophobicContact CZ-CG 4.24Å; F168-W429 HydrophobicContact CD1-CZ2 4.41Å |
| 169 | P | 69 | Low | 73.3 | Confident | 6 Ų | 6 | 18.1 Ų | 18.1 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 179.2 | -29.1 | 38.8 | 0 | 0 | 0 | 113 | M172 D173 C177 V432 | P169-M172 PolarHBondContact O-N 3.45Å; P169-D173 PolarHBondContact O-N 3.48Å; P169-C177 WeakPolarHBondContact CB-SG 3.41Å; P169-V432 HydrophobicContact CB-CG2 3.99Å |
| 170 | E | 66.6 | Low | 71.8 | Confident | 41 Ų | 41 | 21.8 Ų | 21.8 | 19% | 0.192 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.2 | -40.3 | 176.9 | -164.3 | -178.2 | 164.2 | 0 | 0 | 111.4 | G167 F168 Q174 F182 | G167-E170 PolarHBondContact O-N 3.36Å; F168-E170 VanDerWaalsContact C-N 3.33Å; F168-E170 PolarHBondContact O-N 3.07Å; E170-Q174 HydrophobicContact CG-CG 3.71Å; E170-Q174 PolarHBondContact O-N 3Å; E170-Q174 PolarHBondContact OE1-NE2 2.98Å; E170-F182 WeakPolarHBondContact OE2-CA 3.44Å; E170-F182 WeakPolarHBondContact OE2-CB 3.46Å; E170-F182 PolarHBondContact OE2-N 3.41Å |
| 171 | F | 73.1 | Confident | 70.3 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 175 | -174.9 | -99.4 | 0 | 0 | 0 | 110.6 | F163 G167 F168 L237 F241 I242 L303 K307 | F163-F171 HydrophobicContact CE2-CB 4.46Å; F163-F171 HydrophobicContact CE2-CD2 4.24Å; F163-F171 HydrophobicContact CE2-CG 4.49Å; F163-F171 HydrophobicContact CZ-CB 4.07Å; F163-F171 HydrophobicContact CZ-CD1 4.33Å; F163-F171 AromaticContact CZ-CD2 3.63Å; F163-F171 HydrophobicContact CZ-CD2 3.63Å; F163-F171 HydrophobicContact CZ-CE2 4.07Å; F163-F171 AromaticContact CZ-CG 3.75Å; F163-F171 HydrophobicContact CZ-CG 3.75Å; G167-F171 WeakPolarHBondContact O-CB 3.47Å; G167-F171 PolarHBondContact O-N 3.45Å; F168-F171 CarbonylContact O-C 3.55Å; F168-F171 PolarHBondContact O-N 3.41Å; F171-L237 HydrophobicContact CE2-CB 4.43Å; F171-L237 HydrophobicContact CZ-CB 4.2Å; F171-F241 HydrophobicContact CE2-CB 3.75Å; F171-F241 HydrophobicContact CE2-CD2 4.22Å; F171-F241 HydrophobicContact CE2-CG 4.37Å; F171-F241 HydrophobicContact CZ-CB 4.2Å; F171-F241 AromaticContact CZ-CD2 3.95Å; F171-F241 HydrophobicContact CZ-CD2 3.95Å; F171-F241 HydrophobicContact CZ-CG 4.35Å; F171-I242 HydrophobicContact CD2-CD1 4.28Å; F171-I242 HydrophobicContact CD2-CG1 4.39Å; F171-L303 HydrophobicContact CD1-CD1 4.49Å; F171-L303 HydrophobicContact CD1-CD2 4.13Å; F171-L303 HydrophobicContact CE1-CB 4.01Å; F171-L303 HydrophobicContact CE1-CD1 4.45Å; F171-L303 HydrophobicContact CE1-CD2 4.21Å; F171-L303 HydrophobicContact CE1-CG 4.45Å; F171-K307 HydrophobicContact CD1-CG 4.23Å; F171-K307 HydrophobicContact CE1-CB 4.46Å; F171-K307 HydrophobicContact CE1-CD 4.44Å; F171-K307 HydrophobicContact CE1-CG 3.41Å; F171-K307 VanDerWaalsContact CE1-CG 3.41Å; F171-K307 HydrophobicContact CZ-CB 4.45Å; F171-K307 HydrophobicContact CZ-CG 3.61Å; F171-K307 WeakPolarHBondContact O-CE 3.4Å; F171-K307 PolarHBondContact O-NZ 3.26Å |
| 172 | M | 77.1 | Confident | 68.5 | Low | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.4 | -59.9 | 176.7 | -81.6 | -152.8 | -63.1 | 0 | 0 | 110.8 | F168 P169 L176 F306 K307 I392 L393 A396 V432 L436 | F168-M172 HydrophobicContact CD1-CE 4.15Å; F168-M172 HydrophobicContact CD1-CG 4.34Å; F168-M172 HydrophobicContact CD2-CG 3.83Å; F168-M172 HydrophobicContact CE1-CE 3.44Å; F168-M172 VanDerWaalsContact CE1-CE 3.44Å; F168-M172 HydrophobicContact CE1-CG 3.91Å; F168-M172 HydrophobicContact CE1-SD 3.62Å; F168-M172 HydrophobicContact CE2-CG 3.3Å; F168-M172 HydrophobicContact CE2-SD 3.74Å; F168-M172 HydrophobicContact CG-CG 4.35Å; F168-M172 HydrophobicContact CZ-CE 3.7Å; F168-M172 HydrophobicContact CZ-CG 3.4Å; F168-M172 HydrophobicContact CZ-SD 3.16Å; F168-M172 WeakPolarHBondContact CZ-SD 3.39Å; F168-M172 PolarHBondContact O-N 3.37Å; P169-M172 PolarHBondContact O-N 3.45Å; M172-L176 HydrophobicContact CB-CD1 4.38Å; M172-L176 HydrophobicContact CE-CD1 4.14Å; M172-F306 HydrophobicContact CB-CE1 4.26Å; M172-F306 HydrophobicContact CG-CE1 4.16Å; M172-K307 PolarHBondContact O-NZ 3.16Å; M172-I392 HydrophobicContact CE-CG2 3.97Å; M172-L393 HydrophobicContact CG-CD1 4.11Å; M172-L393 HydrophobicContact SD-CD1 3.68Å; M172-A396 HydrophobicContact SD-CB 3.91Å; M172-V432 HydrophobicContact CE-CG1 3.45Å; M172-V432 VanDerWaalsContact CE-CG1 3.45Å; M172-L436 HydrophobicContact CE-CD1 4.42Å |
| 173 | D | 76.7 | Confident | 67.1 | Low | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | trans | -167.6 | 120.1 | 178.9 | -172.8 | -16.9 | 0 | 0 | 0 | 110.1 | P169 S175 L176 R478 S525 | P169-D173 PolarHBondContact O-N 3.48Å; D173-S175 PolarHBondContact O-N 3.44Å; D173-S175 VanDerWaalsContact O-N 3.07Å; D173-S175 WeakPolarHBondContact OD1-CB 3.42Å; D173-S175 PolarHBondContact OD1-N 3.39Å; D173-S175 PolarHBondContact OD1-OG 2.95Å; D173-S175 PolarHBondContact OD2-OG 3.46Å; D173-L176 HydrophobicContact CB-CD1 3.73Å; D173-L176 HydrophobicContact CB-CG 3.98Å; D173-L176 WeakPolarHBondContact O-CB 3.5Å; D173-L176 PolarHBondContact O-N 3.15Å; D173-R478 IonicContact OD2-CZ 2.64Å; D173-R478 IonicContact OD2-NH1 3.04Å; D173-R478 PolarHBondContact OD2-NH1 3.09Å; D173-S525 WeakPolarHBondContact OD1-CB 3.34Å; D173-S525 PolarHBondContact OD1-OG 3.03Å; D173-S525 PolarHBondContact OD2-OG 2.9Å | ||
| 174 | Q | 72 | Confident | 65.6 | Low | 54 Ų | 54 | 37.3 Ų | 37.3 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -54.6 | -28.8 | 177.1 | -69.5 | -176 | -19.9 | 0 | 0 | 113 | E170 L176 C177 | E170-Q174 HydrophobicContact CG-CG 3.71Å; E170-Q174 PolarHBondContact O-N 3Å; E170-Q174 PolarHBondContact OE1-NE2 2.98Å; Q174-L176 PolarHBondContact O-N 2.89Å; Q174-C177 PolarHBondContact O-N 3.24Å |
| 175 | S | 76.4 | Confident | 64 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -72.5 | -12.4 | -179.1 | 72.1 | 0 | 0 | 0 | 0 | 114.6 | D173 P477 R478 | D173-S175 PolarHBondContact O-N 3.44Å; D173-S175 VanDerWaalsContact O-N 3.07Å; D173-S175 WeakPolarHBondContact OD1-CB 3.42Å; D173-S175 PolarHBondContact OD1-N 3.39Å; D173-S175 PolarHBondContact OD1-OG 2.95Å; D173-S175 PolarHBondContact OD2-OG 3.46Å; S175-P477 WeakPolarHBondContact O-CD 3.36Å; S175-R478 VanDerWaalsContact O-CB 3.27Å; S175-R478 WeakPolarHBondContact O-CB 3.26Å; S175-R478 PolarHBondContact O-N 3.17Å; S175-R478 WeakPolarHBondContact OG-CD 3.29Å |
| 176 | L | 78.4 | Confident | 62.7 | Low | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -82.2 | -17.9 | 179.3 | -69.4 | 168 | 0 | 0 | 0 | 113.3 | M172 D173 Q174 V432 T435 L436 S476 R478 | M172-L176 HydrophobicContact CB-CD1 4.38Å; M172-L176 HydrophobicContact CE-CD1 4.14Å; D173-L176 HydrophobicContact CB-CD1 3.73Å; D173-L176 HydrophobicContact CB-CG 3.98Å; D173-L176 WeakPolarHBondContact O-CB 3.5Å; D173-L176 PolarHBondContact O-N 3.15Å; Q174-L176 PolarHBondContact O-N 2.89Å; L176-V432 HydrophobicContact CB-CB 4.38Å; L176-V432 HydrophobicContact CB-CG1 4.16Å; L176-V432 HydrophobicContact CB-CG2 4.01Å; L176-V432 HydrophobicContact CD1-CG1 3.99Å; L176-V432 HydrophobicContact CG-CG1 4.48Å; L176-T435 HydrophobicContact CD2-CG2 3.65Å; L176-L436 HydrophobicContact CD1-CD1 4.34Å; L176-L436 HydrophobicContact CD1-CD2 4.29Å; L176-L436 HydrophobicContact CD1-CG 4.4Å; L176-L436 HydrophobicContact CD2-CD2 3.95Å; L176-L436 HydrophobicContact CD2-CG 3.94Å; L176-S476 VanDerWaalsContact C-CB 3.49Å; L176-S476 WeakPolarHBondContact O-CB 3.17Å; L176-R478 HydrophobicContact CD2-CB 4.44Å; L176-R478 HydrophobicContact CD2-CG 4.31Å |
| 177 | C | 69.4 | Low | 61.6 | Low | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | trans | -100.5 | 134.6 | -175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | P169 Q174 | P169-C177 WeakPolarHBondContact CB-SG 3.41Å; Q174-C177 PolarHBondContact O-N 3.24Å | ||
| 178 | S | 62 | Low | 60.7 | Low | 40 Ų | 40 | 51.3 Ų | 51.3 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -85.6 | -36.4 | 173 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | D431 | S178-D431 VanDerWaalsContact CB-OD2 3.31Å; S178-D431 WeakPolarHBondContact CB-OD2 3.13Å; S178-D431 PolarHBondContact OG-OD2 3.35Å |
| 179 | K | 55.2 | Low | 59.4 | Low | 124 Ų | 124 | 52.5 Ų | 52.5 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -135.2 | 144.9 | -175.6 | -67.6 | 177 | -179.4 | 173.7 | 0 | 109.4 | D474 | K179-D474 WeakPolarHBondContact CE-OD2 3.47Å; K179-D474 IonicContact NZ-OD2 3.78Å; K179-D474 PolarHBondContact NZ-OD2 3.3Å |
| 180 | L | 49.4 | Very low | 58.4 | Low | 84 Ų | 84 | 60 Ų | 60 | 44% | 0.44 | 29% | 0.291 | S | S | . | . | trans | 90.8 | 103.9 | 169.7 | -50.4 | 147 | 0 | 0 | 0 | 115.1 | I185 T428 | L180-I185 HydrophobicContact CB-CD1 3.87Å; L180-I185 HydrophobicContact CB-CG1 4.15Å; L180-I185 HydrophobicContact CD1-CD1 4.02Å; L180-I185 HydrophobicContact CD2-CD1 4.03Å; L180-I185 HydrophobicContact CD2-CG1 3.72Å; L180-I185 HydrophobicContact CG-CD1 4.18Å; L180-I185 HydrophobicContact CG-CG1 4.36Å; L180-T428 HydrophobicContact CD1-CG2 3.23Å | ||
| 181 | K | 50.8 | Low | 57.5 | Low | 134 Ų | 134 | 58.7 Ų | 58.7 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | trans | -70 | 133.5 | 152.7 | -63.8 | -178.5 | 176.6 | -174.6 | 0 | 107.2 | E183 N184 | K181-E183 HydrophobicContact CB-CB 4.45Å; K181-E183 PolarHBondContact O-N 3.2Å; K181-N184 PolarHBondContact O-N 3Å | ||
| 182 | F | 46.5 | Very low | 56.4 | Low | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -45.8 | -37 | 173.7 | -177.5 | -114.4 | 0 | 0 | 0 | 111.2 | Y162 F163 E170 N184 I185 T186 T195 Y238 | Y162-F182 HydrophobicContact CD1-CE2 4.15Å; Y162-F182 HydrophobicContact CD1-CZ 4.25Å; Y162-F182 AromaticContact CE1-CE2 3.84Å; Y162-F182 HydrophobicContact CE1-CE2 3.84Å; Y162-F182 HydrophobicContact CE1-CZ 4.15Å; F163-F182 HydrophobicContact CD2-CZ 4.26Å; E170-F182 WeakPolarHBondContact OE2-CA 3.44Å; E170-F182 WeakPolarHBondContact OE2-CB 3.46Å; E170-F182 PolarHBondContact OE2-N 3.41Å; F182-N184 VanDerWaalsContact C-N 3.3Å; F182-N184 PolarHBondContact O-N 3.03Å; F182-I185 PolarHBondContact O-N 3.37Å; F182-T186 HydrophobicContact CD1-CG2 4.33Å; F182-T186 HydrophobicContact CE1-CG2 4.2Å; F182-T186 HydrophobicContact CE2-CG2 4.44Å; F182-T186 HydrophobicContact CZ-CG2 4.27Å; F182-T186 VanDerWaalsContact O-CG2 3.25Å; F182-T186 WeakPolarHBondContact O-CG2 3.31Å; F182-T186 PolarHBondContact O-N 3.05Å; F182-T195 HydrophobicContact CD1-CG2 4.28Å; F182-T195 HydrophobicContact CE1-CG2 4.16Å; F182-Y238 HydrophobicContact CE1-CE2 4.48Å |
| 183 | E | 46.6 | Very low | 55.1 | Low | 94 Ų | 94 | 60.3 Ų | 60.3 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.7 | -38.7 | 174.1 | -64.7 | -177.6 | 160.4 | 0 | 0 | 114.4 | K181 T186 | K181-E183 HydrophobicContact CB-CB 4.45Å; K181-E183 PolarHBondContact O-N 3.2Å; E183-T186 PolarHBondContact O-OG1 3Å |
| 184 | N | 45.9 | Very low | 54 | Low | 91 Ų | 91 | 60 Ų | 60 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76.1 | -34.2 | -176 | -73.7 | -5.1 | 0 | 0 | 0 | 112.9 | K181 F182 T186 | K181-N184 PolarHBondContact O-N 3Å; F182-N184 VanDerWaalsContact C-N 3.3Å; F182-N184 PolarHBondContact O-N 3.03Å; N184-T186 VanDerWaalsContact C-N 3.35Å |
| 185 | I | 46.1 | Very low | 53 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.3 | -33.2 | 178.5 | -51.9 | 178.2 | 0 | 0 | 0 | 110.2 | Y162 Y166 L180 F182 Q187 Q188 S189 | Y162-I185 WeakPolarHBondContact OH-CG2 3.3Å; Y162-I185 PolarHBondContact OH-O 3.33Å; Y166-I185 HydrophobicContact CD1-CD1 3.9Å; Y166-I185 HydrophobicContact CD1-CG2 3.82Å; Y166-I185 HydrophobicContact CE1-CG2 3.98Å; Y166-I185 HydrophobicContact CG-CG2 4.24Å; L180-I185 HydrophobicContact CB-CD1 3.87Å; L180-I185 HydrophobicContact CB-CG1 4.15Å; L180-I185 HydrophobicContact CD1-CD1 4.02Å; L180-I185 HydrophobicContact CD2-CD1 4.03Å; L180-I185 HydrophobicContact CD2-CG1 3.72Å; L180-I185 HydrophobicContact CG-CD1 4.18Å; L180-I185 HydrophobicContact CG-CG1 4.36Å; F182-I185 PolarHBondContact O-N 3.37Å; I185-Q187 PolarHBondContact O-N 2.65Å; I185-Q188 WeakPolarHBondContact O-CB 3.47Å; I185-Q188 PolarHBondContact O-N 3.02Å; I185-S189 PolarHBondContact O-N 2.96Å |
| 186 | T | 46.9 | Very low | 52 | Low | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -23 | -179.8 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | Y162 F182 E183 N184 Q188 C193 | Y162-T186 HydrophobicContact CE1-CG2 3.86Å; F182-T186 HydrophobicContact CD1-CG2 4.33Å; F182-T186 HydrophobicContact CE1-CG2 4.2Å; F182-T186 HydrophobicContact CE2-CG2 4.44Å; F182-T186 HydrophobicContact CZ-CG2 4.27Å; F182-T186 VanDerWaalsContact O-CG2 3.25Å; F182-T186 WeakPolarHBondContact O-CG2 3.31Å; F182-T186 PolarHBondContact O-N 3.05Å; E183-T186 PolarHBondContact O-OG1 3Å; N184-T186 VanDerWaalsContact C-N 3.35Å; T186-Q188 VanDerWaalsContact C-N 3.27Å; T186-Q188 PolarHBondContact O-N 2.93Å; T186-C193 VanDerWaalsContact CB-SG 3.54Å; T186-C193 HydrophobicContact CG2-CB 4.26Å; T186-C193 WeakPolarHBondContact CG2-SG 3.27Å |
| 187 | Q | 46.3 | Very low | 51.1 | Low | 168 Ų | 168 | 62.7 Ų | 62.7 | 79% | 0.785 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.7 | 171.5 | -67.1 | -175.5 | -0.8 | 0 | 0 | 112.6 | I185 | I185-Q187 PolarHBondContact O-N 2.65Š|
| 188 | Q | 45.7 | Very low | 51 | Low | 136 Ų | 136 | 65.1 Ų | 65.1 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -35.1 | 179.6 | -65.4 | 179.8 | -29.9 | 0 | 0 | 112.5 | I185 T186 | I185-Q188 WeakPolarHBondContact O-CB 3.47Å; I185-Q188 PolarHBondContact O-N 3.02Å; T186-Q188 VanDerWaalsContact C-N 3.27Å; T186-Q188 PolarHBondContact O-N 2.93Å |
| 189 | S | 47 | Very low | 51.3 | Low | 27 Ų | 27 | 66.3 Ų | 66.3 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -93.9 | 114.5 | 176.9 | 61 | 0 | 0 | 0 | 0 | 110.7 | Y162 I185 V191 | Y162-S189 VanDerWaalsContact CE2-CB 3.4Å; Y162-S189 WeakPolarHBondContact CE2-OG 3.35Å; Y162-S189 PolarHBondContact OH-OG 2.85Å; I185-S189 PolarHBondContact O-N 2.96Å; S189-V191 PolarHBondContact O-N 3.34Å |
| 190 | K | 48.3 | Very low | 52.2 | Low | 162 Ų | 162 | 60.5 Ų | 60.5 | 70% | 0.704 | 32% | 0.321 | S | S | * | . | trans | -66.3 | 29 | 177.7 | -61 | 177 | -179.3 | 173.1 | 0 | 115.1 | N135 | N135-K190 VanDerWaalsContact ND2-C 3.34Å; N135-K190 PolarHBondContact ND2-O 3.36Å | ||
| 191 | V | 48.4 | Very low | 53.5 | Low | 15 Ų | 15 | 59.3 Ų | 59.3 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -85.8 | 120.3 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 107 | N135 Q159 Y162 S189 C193 | N135-V191 HydrophobicContact CB-CG2 4.5Å; Q159-V191 HydrophobicContact CG-CG1 3.84Å; Y162-V191 HydrophobicContact CD2-CG2 4.21Å; S189-V191 PolarHBondContact O-N 3.34Å; V191-C193 PolarHBondContact O-N 3.47Å; V191-C193 PolarHBondContact O-SG 3.49Å; V191-C193 VanDerWaalsContact O-SG 3.35Å |
| 192 | P | 49 | Very low | 54.8 | Low | 29 Ų | 29 | 59.6 Ų | 59.6 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | trans | -63.2 | 112.4 | 172.8 | 21.3 | -26.8 | 0 | 0 | 0 | 108.9 | E139 Q159 | E139-P192 WeakPolarHBondContact OE1-CD 3.31Å; E139-P192 WeakPolarHBondContact OE1-CG 3.11Å; Q159-P192 PolarHBondContact NE2-O 2.88Å | ||
| 193 | C | 51.1 | Low | 56.4 | Low | 12 Ų | 12 | 60.8 Ų | 60.8 | 8% | 0.081 | 32% | 0.32 | C | S | . | . | trans | -79.1 | 162.1 | -175.4 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | T186 V191 T195 S196 | T186-C193 VanDerWaalsContact CB-SG 3.54Å; T186-C193 HydrophobicContact CG2-CB 4.26Å; T186-C193 WeakPolarHBondContact CG2-SG 3.27Å; V191-C193 PolarHBondContact O-N 3.47Å; V191-C193 PolarHBondContact O-SG 3.49Å; V191-C193 VanDerWaalsContact O-SG 3.35Å; C193-T195 HydrophobicContact CB-CG2 4.28Å; C193-T195 WeakPolarHBondContact CB-OG1 3.49Å; C193-T195 PolarHBondContact O-N 3.19Å; C193-T195 VanDerWaalsContact O-N 3.14Å; C193-S196 PolarHBondContact O-N 3.09Å; C193-S196 PolarHBondContact O-OG 3.15Å | ||
| 194 | I | 53.3 | Low | 58.1 | Low | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.8 | 168.3 | -54.2 | 153.9 | 0 | 0 | 0 | 111.1 | F163 S196 S197 Y200 L234 Y235 Y238 | F163-I194 HydrophobicContact CB-CD1 4.33Å; F163-I194 HydrophobicContact CD2-CD1 4.2Å; F163-I194 HydrophobicContact CG-CD1 4.39Å; I194-S196 CarbonylContact O-C 3.58Å; I194-S196 PolarHBondContact O-N 3.04Å; I194-S197 PolarHBondContact O-N 2.97Å; I194-Y200 HydrophobicContact CG1-CD2 4.14Å; I194-Y200 HydrophobicContact CG1-CE2 3.92Å; I194-L234 HydrophobicContact CD1-CD1 3.84Å; I194-L234 HydrophobicContact CD1-CD2 3.61Å; I194-L234 HydrophobicContact CD1-CG 3.54Å; I194-L234 HydrophobicContact CG1-CD2 4.41Å; I194-L234 HydrophobicContact CG1-CG 4.47Å; I194-Y235 HydrophobicContact CG2-CD2 3.99Å; I194-Y238 HydrophobicContact CB-CG 4.48Å; I194-Y238 HydrophobicContact CD1-CD2 4.45Å; I194-Y238 HydrophobicContact CG2-CD1 3.73Å; I194-Y238 HydrophobicContact CG2-CD2 4.24Å; I194-Y238 HydrophobicContact CG2-CE1 4.31Å; I194-Y238 HydrophobicContact CG2-CG 3.72Å |
| 195 | T | 51.1 | Low | 59.9 | Low | 25 Ų | 25 | 58.8 Ų | 58.8 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35.7 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | F182 C193 S197 Y238 Y245 | F182-T195 HydrophobicContact CD1-CG2 4.28Å; F182-T195 HydrophobicContact CE1-CG2 4.16Å; C193-T195 HydrophobicContact CB-CG2 4.28Å; C193-T195 WeakPolarHBondContact CB-OG1 3.49Å; C193-T195 PolarHBondContact O-N 3.19Å; C193-T195 VanDerWaalsContact O-N 3.14Å; T195-S197 PolarHBondContact O-N 3.35Å; T195-Y238 WeakPolarHBondContact CG2-OH 3.38Å; T195-Y245 PolarHBondContact O-OH 2.92Å |
| 196 | S | 55.2 | Low | 61.6 | Low | 44 Ų | 44 | 60.9 Ų | 60.9 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -79.2 | 67.4 | 168.1 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | C193 I194 A198 V199 Y200 | C193-S196 PolarHBondContact O-N 3.09Å; C193-S196 PolarHBondContact O-OG 3.15Å; I194-S196 CarbonylContact O-C 3.58Å; I194-S196 PolarHBondContact O-N 3.04Å; S196-A198 PolarHBondContact O-N 3.44Å; S196-V199 PolarHBondContact O-N 3.24Å; S196-Y200 PolarHBondContact O-N 3.33Å; S196-Y200 VanDerWaalsContact O-N 3.1Å |
| 197 | S | 58.9 | Low | 63.4 | Low | 45 Ų | 45 | 59.7 Ų | 59.7 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -47.7 | -36.5 | -174.2 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | I194 T195 L201 | I194-S197 PolarHBondContact O-N 2.97Å; T195-S197 PolarHBondContact O-N 3.35Å; S197-L201 WeakPolarHBondContact O-CB 3.22Å; S197-L201 WeakPolarHBondContact O-CD1 3.5Å; S197-L201 WeakPolarHBondContact O-CG 3.49Å; S197-L201 PolarHBondContact O-N 3.11Å |
| 198 | A | 67.2 | Low | 65.2 | Low | 73 Ų | 73 | 55.3 Ų | 55.3 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S196 K202 | S196-A198 PolarHBondContact O-N 3.44Å; A198-K202 WeakPolarHBondContact O-CB 3.44Å; A198-K202 PolarHBondContact O-N 2.96Å |
| 199 | V | 68.8 | Low | 67 | Low | 64 Ų | 64 | 54.4 Ų | 54.4 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | -179.2 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | S196 K202 R203 | S196-V199 PolarHBondContact O-N 3.24Å; V199-K202 PolarHBondContact O-N 3.43Å; V199-R203 WeakPolarHBondContact O-CG 3.39Å; V199-R203 PolarHBondContact O-N 3.33Å |
| 200 | Y | 74.2 | Confident | 68.7 | Low | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -51.7 | 176.9 | -174 | -88.2 | 0 | 0 | 0 | 111.9 | F156 Q159 I194 S196 K202 R203 S204 S231 Y235 | F156-Y200 HydrophobicContact CD1-CE2 4.1Å; F156-Y200 HydrophobicContact CE1-CD2 4.33Å; F156-Y200 AromaticContact CE1-CE2 3.95Å; F156-Y200 HydrophobicContact CE1-CE2 3.95Å; Q159-Y200 VanDerWaalsContact OE1-CE2 3.28Å; I194-Y200 HydrophobicContact CG1-CD2 4.14Å; I194-Y200 HydrophobicContact CG1-CE2 3.92Å; S196-Y200 PolarHBondContact O-N 3.33Å; S196-Y200 VanDerWaalsContact O-N 3.1Å; Y200-K202 VanDerWaalsContact C-N 3.33Å; Y200-K202 PolarHBondContact O-N 3.3Å; Y200-R203 PolarHBondContact O-N 3.34Å; Y200-S204 VanDerWaalsContact O-CB 3.32Å; Y200-S204 WeakPolarHBondContact O-CB 3.36Å; Y200-S204 PolarHBondContact O-N 2.96Å; Y200-S231 VanDerWaalsContact OH-CA 3.25Å; Y200-S231 WeakPolarHBondContact OH-CA 3.01Å; Y200-S231 VanDerWaalsContact OH-CB 3.23Å; Y200-S231 WeakPolarHBondContact OH-CB 3.31Å; Y200-S231 PolarHBondContact OH-O 3.12Å; Y200-Y235 AromaticContact CD1-CD2 3.72Å; Y200-Y235 HydrophobicContact CD1-CD2 3.72Å; Y200-Y235 HydrophobicContact CD1-CE2 4.28Å; Y200-Y235 HydrophobicContact CD1-CG 4.34Å; Y200-Y235 AromaticContact CE1-CD2 3.77Å; Y200-Y235 HydrophobicContact CE1-CD2 3.77Å; Y200-Y235 AromaticContact CE1-CG 3.98Å; Y200-Y235 HydrophobicContact CE1-CG 3.98Å |
| 201 | L | 75.6 | Confident | 70.2 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 177.4 | -76 | 172.2 | 0 | 0 | 0 | 112.1 | S197 S204 K205 Y235 | S197-L201 WeakPolarHBondContact O-CB 3.22Å; S197-L201 WeakPolarHBondContact O-CD1 3.5Å; S197-L201 WeakPolarHBondContact O-CG 3.49Å; S197-L201 PolarHBondContact O-N 3.11Å; L201-S204 PolarHBondContact O-N 3.48Å; L201-K205 WeakPolarHBondContact O-CB 3.37Å; L201-K205 WeakPolarHBondContact O-CG 3.2Å; L201-K205 PolarHBondContact O-N 3.28Å; L201-Y235 WeakPolarHBondContact CD1-OH 3.31Å; L201-Y235 HydrophobicContact CD2-CD1 4.37Å; L201-Y235 HydrophobicContact CD2-CE1 3.69Å; L201-Y235 HydrophobicContact CD2-CE2 4.15Å; L201-Y235 HydrophobicContact CG-CE1 4.49Å; L201-Y235 HydrophobicContact CG-CE2 4.19Å |
| 202 | K | 79.2 | Confident | 71.7 | Confident | 139 Ų | 139 | 53.5 Ų | 53.5 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.3 | -48.6 | 177.4 | -173.8 | -179.7 | 179.7 | -175.7 | 0 | 111 | A198 V199 Y200 S204 Q206 | A198-K202 WeakPolarHBondContact O-CB 3.44Å; A198-K202 PolarHBondContact O-N 2.96Å; V199-K202 PolarHBondContact O-N 3.43Å; Y200-K202 VanDerWaalsContact C-N 3.33Å; Y200-K202 PolarHBondContact O-N 3.3Å; K202-S204 VanDerWaalsContact C-N 3.33Å; K202-S204 PolarHBondContact O-N 3.37Å; K202-Q206 VanDerWaalsContact O-CG 3.3Å; K202-Q206 WeakPolarHBondContact O-CG 3.37Å; K202-Q206 PolarHBondContact O-N 3.08Å |
| 203 | R | 80.4 | Confident | 73.2 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 15% | 0.151 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 176.6 | -72.7 | -178.2 | 177.4 | -175.9 | -0.8 | 111.9 | E139 F156 V199 Y200 Q206 F207 | E139-R203 IonicContact OE1-CZ 2.79Å; E139-R203 IonicContact OE1-NH1 2.78Å; E139-R203 PolarHBondContact OE1-NH1 3.04Å; E139-R203 IonicContact OE1-NH2 3.4Å; E139-R203 PolarHBondContact OE1-NH2 3.15Å; E139-R203 IonicContact OE2-CZ 3.01Å; E139-R203 IonicContact OE2-NH1 3.46Å; E139-R203 PolarHBondContact OE2-NH1 3Å; E139-R203 IonicContact OE2-NH2 3.89Å; E139-R203 PolarHBondContact OE2-NH2 2.96Å; F156-R203 HydrophobicContact CE2-CB 4.47Å; F156-R203 HydrophobicContact CZ-CB 3.77Å; V199-R203 WeakPolarHBondContact O-CG 3.39Å; V199-R203 PolarHBondContact O-N 3.33Å; Y200-R203 PolarHBondContact O-N 3.34Å; R203-Q206 PolarHBondContact O-N 3.33Å; R203-F207 WeakPolarHBondContact O-CB 3.41Å; R203-F207 PolarHBondContact O-N 3.02Å |
| 204 | S | 82.2 | Confident | 74.2 | Confident | 11 Ų | 11 | 61 Ų | 61 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | Y200 L201 K202 Q206 F207 E208 | Y200-S204 VanDerWaalsContact O-CB 3.32Å; Y200-S204 WeakPolarHBondContact O-CB 3.36Å; Y200-S204 PolarHBondContact O-N 2.96Å; L201-S204 PolarHBondContact O-N 3.48Å; K202-S204 VanDerWaalsContact C-N 3.33Å; K202-S204 PolarHBondContact O-N 3.37Å; S204-Q206 VanDerWaalsContact C-N 3.34Å; S204-Q206 PolarHBondContact O-N 3.09Å; S204-F207 PolarHBondContact O-N 3.02Å; S204-E208 PolarHBondContact O-N 3.03Å |
| 205 | K | 83.1 | Confident | 74.5 | Confident | 132 Ų | 132 | 69.4 Ų | 69.4 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.7 | -40.2 | 173.8 | -72.5 | -178.8 | 179.3 | -174.5 | 0 | 112.6 | L201 E208 Q209 | L201-K205 WeakPolarHBondContact O-CB 3.37Å; L201-K205 WeakPolarHBondContact O-CG 3.2Å; L201-K205 PolarHBondContact O-N 3.28Å; K205-E208 PolarHBondContact O-N 3.01Å; K205-Q209 WeakPolarHBondContact O-CG 3.28Å; K205-Q209 PolarHBondContact O-N 3.18Å |
| 206 | Q | 82.9 | Confident | 75.1 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.6 | -75.9 | 175.8 | -38.6 | 0 | 0 | 111.6 | K202 R203 S204 E208 Q209 I210 | K202-Q206 VanDerWaalsContact O-CG 3.3Å; K202-Q206 WeakPolarHBondContact O-CG 3.37Å; K202-Q206 PolarHBondContact O-N 3.08Å; R203-Q206 PolarHBondContact O-N 3.33Å; S204-Q206 VanDerWaalsContact C-N 3.34Å; S204-Q206 PolarHBondContact O-N 3.09Å; Q206-E208 VanDerWaalsContact C-N 3.34Å; Q206-E208 PolarHBondContact O-N 3.44Å; Q206-Q209 PolarHBondContact O-N 3.08Å; Q206-I210 VanDerWaalsContact O-CG1 3.29Å; Q206-I210 WeakPolarHBondContact O-CG1 3.37Å; Q206-I210 PolarHBondContact O-N 3.03Å |
| 207 | F | 83.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 179.6 | -169.4 | -139.9 | 0 | 0 | 0 | 112.3 | L149 L152 E153 F156 R203 S204 L211 A224 T227 L228 | L149-F207 HydrophobicContact CD1-CE2 4.17Å; L149-F207 HydrophobicContact CG-CE2 4.26Å; L152-F207 HydrophobicContact CB-CD2 3.75Å; L152-F207 HydrophobicContact CB-CE2 3.97Å; L152-F207 HydrophobicContact CB-CG 4.4Å; L152-F207 HydrophobicContact CD1-CB 4.41Å; L152-F207 HydrophobicContact CD1-CD2 3.92Å; L152-F207 HydrophobicContact CG-CD2 4.47Å; E153-F207 HydrophobicContact CB-CZ 4.17Å; F156-F207 AromaticContact CD2-CD1 3.68Å; F156-F207 HydrophobicContact CD2-CD1 3.68Å; F156-F207 HydrophobicContact CD2-CE1 4.01Å; F156-F207 HydrophobicContact CD2-CG 4.22Å; F156-F207 HydrophobicContact CE2-CB 3.8Å; F156-F207 AromaticContact CE2-CD1 3.67Å; F156-F207 HydrophobicContact CE2-CD1 3.67Å; F156-F207 HydrophobicContact CE2-CE1 4.45Å; F156-F207 AromaticContact CE2-CG 3.88Å; F156-F207 HydrophobicContact CE2-CG 3.88Å; R203-F207 WeakPolarHBondContact O-CB 3.41Å; R203-F207 PolarHBondContact O-N 3.02Å; S204-F207 PolarHBondContact O-N 3.02Å; F207-L211 HydrophobicContact CD2-CD1 4.48Å; F207-L211 HydrophobicContact CE1-CD1 4.35Å; F207-L211 HydrophobicContact CE2-CD1 4.34Å; F207-L211 HydrophobicContact CZ-CD1 4.27Å; F207-L211 WeakPolarHBondContact O-CG 3.48Å; F207-L211 PolarHBondContact O-N 2.98Å; F207-A224 WeakPolarHBondContact CE1-O 3.34Å; F207-A224 HydrophobicContact CE2-CB 4.08Å; F207-A224 HydrophobicContact CZ-CB 3.7Å; F207-T227 HydrophobicContact CE1-CG2 4.44Å; F207-L228 HydrophobicContact CB-CD1 4.31Å; F207-L228 HydrophobicContact CD1-CB 3.81Å; F207-L228 HydrophobicContact CD1-CD1 3.67Å; F207-L228 HydrophobicContact CD1-CG 4.29Å; F207-L228 HydrophobicContact CE1-CB 3.8Å; F207-L228 HydrophobicContact CG-CD1 4.38Å |
| 208 | E | 84.2 | Confident | 75.5 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 36% | 0.36 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 172.4 | -169.9 | 169.2 | -156.4 | 0 | 0 | 111.8 | S204 K205 Q206 I210 L211 E212 L228 | S204-E208 PolarHBondContact O-N 3.03Å; K205-E208 PolarHBondContact O-N 3.01Å; Q206-E208 VanDerWaalsContact C-N 3.34Å; Q206-E208 PolarHBondContact O-N 3.44Å; E208-I210 PolarHBondContact O-N 3.27Å; E208-L211 PolarHBondContact O-N 3.1Å; E208-E212 PolarHBondContact O-N 3.05Å; E208-E212 VanDerWaalsContact O-N 3.11Å; E208-L228 HydrophobicContact CB-CD1 4.38Å; E208-L228 HydrophobicContact CB-CD2 3.89Å; E208-L228 HydrophobicContact CG-CD2 4.03Å |
| 209 | Q | 83.7 | Confident | 75.4 | Confident | 117 Ų | 117 | 82 Ų | 82 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177.5 | -74 | 175.3 | -7.5 | 0 | 0 | 113.3 | K205 Q206 L211 E212 I213 | K205-Q209 WeakPolarHBondContact O-CG 3.28Å; K205-Q209 PolarHBondContact O-N 3.18Å; Q206-Q209 PolarHBondContact O-N 3.08Å; Q209-L211 VanDerWaalsContact C-N 3.31Å; Q209-L211 PolarHBondContact O-N 3.5Å; Q209-E212 PolarHBondContact O-N 2.84Å; Q209-I213 WeakPolarHBondContact O-CG1 3.1Å; Q209-I213 PolarHBondContact O-N 3.36Å |
| 210 | I | 82.1 | Confident | 75.2 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 14% | 0.144 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 178.6 | -66.6 | 163.2 | 0 | 0 | 0 | 110.4 | D147 L149 L152 Q206 E208 E212 I213 V214 | D147-I210 HydrophobicContact CB-CD1 4.26Å; L149-I210 HydrophobicContact CD1-CG2 3.6Å; L152-I210 HydrophobicContact CD1-CD1 3.55Å; Q206-I210 VanDerWaalsContact O-CG1 3.29Å; Q206-I210 WeakPolarHBondContact O-CG1 3.37Å; Q206-I210 PolarHBondContact O-N 3.03Å; E208-I210 PolarHBondContact O-N 3.27Å; I210-E212 VanDerWaalsContact C-N 3.34Å; I210-E212 PolarHBondContact O-N 3.46Å; I210-I213 PolarHBondContact O-N 2.9Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 2.83Å |
| 211 | L | 80.8 | Confident | 75.1 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 179.1 | -77 | 172.8 | 0 | 0 | 0 | 113.1 | L149 F207 E208 Q209 I213 A224 L228 | L149-L211 HydrophobicContact CD1-CD2 3.88Å; L149-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CD2-CD1 4.48Å; F207-L211 HydrophobicContact CE1-CD1 4.35Å; F207-L211 HydrophobicContact CE2-CD1 4.34Å; F207-L211 HydrophobicContact CZ-CD1 4.27Å; F207-L211 WeakPolarHBondContact O-CG 3.48Å; F207-L211 PolarHBondContact O-N 2.98Å; E208-L211 PolarHBondContact O-N 3.1Å; Q209-L211 VanDerWaalsContact C-N 3.31Å; Q209-L211 PolarHBondContact O-N 3.5Å; L211-I213 VanDerWaalsContact C-N 3.33Å; L211-A224 HydrophobicContact CD1-CB 4.27Å; L211-A224 HydrophobicContact CD2-CB 3.66Å; L211-A224 HydrophobicContact CG-CB 4.49Å; L211-L228 HydrophobicContact CD1-CB 4.23Å; L211-L228 HydrophobicContact CD1-CD2 4.04Å |
| 212 | E | 79.6 | Confident | 75.2 | Confident | 146 Ų | 146 | 80.3 Ų | 80.3 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.1 | -32.5 | 172.6 | -70.4 | -179.4 | 168.4 | 0 | 0 | 112.8 | E208 Q209 I210 | E208-E212 PolarHBondContact O-N 3.05Å; E208-E212 VanDerWaalsContact O-N 3.11Å; Q209-E212 PolarHBondContact O-N 2.84Å; I210-E212 VanDerWaalsContact C-N 3.34Å; I210-E212 PolarHBondContact O-N 3.46Å |
| 213 | I | 79.5 | Confident | 75.2 | Confident | 132 Ų | 132 | 74.1 Ų | 74.1 | 68% | 0.677 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.4 | -32.5 | -178.8 | -66.2 | 165.3 | 0 | 0 | 0 | 111.9 | Q209 I210 L211 Q215 | Q209-I213 WeakPolarHBondContact O-CG1 3.1Å; Q209-I213 PolarHBondContact O-N 3.36Å; I210-I213 PolarHBondContact O-N 2.9Å; L211-I213 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 3.35Å |
| 214 | V | 72.5 | Confident | 75.3 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 39% | 0.394 | 36% | 0.364 | S | S | . | . | trans | -81.6 | 87.3 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | I210 Q216 T221 | I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 2.83Å; V214-Q216 VanDerWaalsContact C-N 3.33Å; V214-Q216 PolarHBondContact O-N 3.38Å; V214-T221 HydrophobicContact CB-CG2 4.36Å; V214-T221 HydrophobicContact CG1-CG2 3.64Å | ||
| 215 | Q | 60.9 | Low | 75.4 | Confident | 184 Ų | 184 | 76.6 Ų | 76.6 | 86% | 0.86 | 38% | 0.383 | S | S | * | . | trans | -70.9 | -13.4 | -173 | -67.9 | -176.1 | -12.4 | 0 | 0 | 116.2 | I213 | I213-Q215 PolarHBondContact O-N 3.35Š| ||
| 216 | Q | 61.8 | Low | 75.4 | Confident | 152 Ų | 152 | 70.5 Ų | 70.5 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -100.5 | 121.6 | 179.9 | -71 | -167.5 | -5.8 | 0 | 0 | 111.8 | V214 T218 | V214-Q216 VanDerWaalsContact C-N 3.33Å; V214-Q216 PolarHBondContact O-N 3.38Å; Q216-T218 VanDerWaalsContact C-N 3.3Å; Q216-T218 PolarHBondContact O-N 3.29Å |
| 217 | P | 59.3 | Low | 75.6 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | trans | -75.9 | 81.7 | -178.4 | 31.6 | -33.7 | 0 | 0 | 0 | 110.3 | T221 | P217-T221 WeakPolarHBondContact CA-OG1 3.28Š| ||
| 218 | T | 64.5 | Low | 75.7 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | trans | -77.8 | 158 | 165.8 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | Q216 V220 T221 | Q216-T218 VanDerWaalsContact C-N 3.3Å; Q216-T218 PolarHBondContact O-N 3.29Å; T218-V220 PolarHBondContact O-N 3.04Å; T218-T221 PolarHBondContact N-OG1 3.2Å; T218-T221 PolarHBondContact O-N 3.42Å; T218-T221 PolarHBondContact O-OG1 3.48Å | ||
| 219 | D | 64.1 | Low | 75.7 | Confident | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -52 | -30.1 | 177.9 | -75.9 | -22.6 | 0 | 0 | 0 | 113.1 | K222 T223 | D219-K222 PolarHBondContact O-N 3.24Å; D219-T223 PolarHBondContact O-N 2.93Å |
| 220 | V | 64.3 | Low | 75.9 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | Q122 L149 Y150 T218 K222 T223 A224 | Q122-V220 HydrophobicContact CG-CG2 4.05Å; L149-V220 HydrophobicContact CD2-CG1 3.57Å; Y150-V220 HydrophobicContact CD1-CG1 4.13Å; Y150-V220 HydrophobicContact CE1-CB 4.34Å; Y150-V220 HydrophobicContact CE1-CG1 3.42Å; Y150-V220 VanDerWaalsContact CE1-CG1 3.42Å; Y150-V220 HydrophobicContact CE1-CG2 3.91Å; T218-V220 PolarHBondContact O-N 3.04Å; V220-K222 VanDerWaalsContact C-N 3.3Å; V220-K222 PolarHBondContact O-N 3.01Å; V220-T223 PolarHBondContact O-N 3.42Å; V220-T223 PolarHBondContact O-OG1 3.43Å; V220-A224 WeakPolarHBondContact O-CB 3.4Å; V220-A224 PolarHBondContact O-N 3.46Å; V220-A224 VanDerWaalsContact O-N 3.08Å |
| 221 | T | 73.7 | Confident | 75.9 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -34.3 | 179.3 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | V214 P217 T218 A224 H225 | V214-T221 HydrophobicContact CB-CG2 4.36Å; V214-T221 HydrophobicContact CG1-CG2 3.64Å; P217-T221 WeakPolarHBondContact CA-OG1 3.28Å; T218-T221 PolarHBondContact N-OG1 3.2Å; T218-T221 PolarHBondContact O-N 3.42Å; T218-T221 PolarHBondContact O-OG1 3.48Å; T221-A224 PolarHBondContact O-N 3.42Å; T221-H225 PolarHBondContact O-N 3.25Å; T221-H225 PolarHBondContact O-ND1 3.03Å |
| 222 | K | 76.6 | Confident | 76 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.3 | -64.1 | -170.8 | 175.7 | -159.1 | 0 | 111.8 | D219 V220 A224 H225 I226 D277 | D219-K222 PolarHBondContact O-N 3.24Å; V220-K222 VanDerWaalsContact C-N 3.3Å; V220-K222 PolarHBondContact O-N 3.01Å; K222-A224 VanDerWaalsContact C-N 3.33Å; K222-H225 PolarHBondContact O-N 2.98Å; K222-I226 WeakPolarHBondContact O-CG1 3.35Å; K222-I226 PolarHBondContact O-N 3.08Å; K222-I226 VanDerWaalsContact O-N 3.14Å; K222-D277 IonicContact NZ-OD2 3.59Å; K222-D277 PolarHBondContact NZ-OD2 3.34Å; K222-D277 VanDerWaalsContact NZ-OD2 3.11Å |
| 223 | T | 79.8 | Confident | 76.2 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67 | -37 | 178.3 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | E153 D219 V220 I226 T227 | E153-T223 WeakPolarHBondContact OE1-CB 3.49Å; E153-T223 PolarHBondContact OE1-OG1 3.48Å; E153-T223 PolarHBondContact OE2-OG1 3.04Å; D219-T223 PolarHBondContact O-N 2.93Å; V220-T223 PolarHBondContact O-N 3.42Å; V220-T223 PolarHBondContact O-OG1 3.43Å; T223-I226 PolarHBondContact O-N 3.43Å; T223-T227 PolarHBondContact O-N 3.21Å; T223-T227 PolarHBondContact O-OG1 3Å |
| 224 | A | 82.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L149 E153 F207 L211 V220 T221 K222 I226 T227 L228 | L149-A224 HydrophobicContact CD2-CB 4.07Å; L149-A224 HydrophobicContact CG-CB 4.42Å; E153-A224 PolarHBondContact OE2-N 3.11Å; F207-A224 WeakPolarHBondContact CE1-O 3.34Å; F207-A224 HydrophobicContact CE2-CB 4.08Å; F207-A224 HydrophobicContact CZ-CB 3.7Å; L211-A224 HydrophobicContact CD1-CB 4.27Å; L211-A224 HydrophobicContact CD2-CB 3.66Å; L211-A224 HydrophobicContact CG-CB 4.49Å; V220-A224 WeakPolarHBondContact O-CB 3.4Å; V220-A224 PolarHBondContact O-N 3.46Å; V220-A224 VanDerWaalsContact O-N 3.08Å; T221-A224 PolarHBondContact O-N 3.42Å; K222-A224 VanDerWaalsContact C-N 3.33Å; A224-I226 PolarHBondContact O-N 2.9Å; A224-T227 PolarHBondContact O-N 3.27Å; A224-L228 PolarHBondContact O-N 3.33Å |
| 225 | H | 83 | Confident | 76.6 | Confident | 102 Ų | 102 | 48.7 Ų | 48.7 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 172.1 | -92.5 | 47.5 | 0 | 0 | 0 | 112.3 | T221 K222 T227 L228 C229 | T221-H225 PolarHBondContact O-N 3.25Å; T221-H225 PolarHBondContact O-ND1 3.03Å; K222-H225 PolarHBondContact O-N 2.98Å; H225-T227 VanDerWaalsContact C-N 3.3Å; H225-T227 PolarHBondContact O-N 3.42Å; H225-L228 PolarHBondContact O-N 3.5Å; H225-C229 PolarHBondContact O-N 3.44Å; H225-C229 PolarHBondContact O-SG 3.05Å; H225-C229 VanDerWaalsContact O-SG 3.37Å |
| 226 | I | 84.4 | Confident | 77.4 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 176.2 | -64.8 | 163.5 | 0 | 0 | 0 | 110 | K222 T223 A224 L228 C229 L230 L276 F278 | K222-I226 WeakPolarHBondContact O-CG1 3.35Å; K222-I226 PolarHBondContact O-N 3.08Å; K222-I226 VanDerWaalsContact O-N 3.14Å; T223-I226 PolarHBondContact O-N 3.43Å; A224-I226 PolarHBondContact O-N 2.9Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.43Å; I226-C229 PolarHBondContact O-N 3.01Å; I226-L230 HydrophobicContact CG2-CD1 3.98Å; I226-L230 HydrophobicContact CG2-CG 4.2Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.3Å; I226-L230 PolarHBondContact O-N 2.83Å; I226-L276 HydrophobicContact CG1-CD2 4.42Å; I226-F278 HydrophobicContact CD1-CD1 3.76Å; I226-F278 HydrophobicContact CD1-CE1 3.97Å; I226-F278 HydrophobicContact CG2-CE1 4.02Å |
| 227 | T | 86.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 112 | E153 F156 R157 F207 T223 A224 H225 L230 S231 | E153-T227 HydrophobicContact CG-CG2 3.94Å; E153-T227 WeakPolarHBondContact CG-OG1 3.47Å; E153-T227 PolarHBondContact OE1-OG1 3.42Å; F156-T227 HydrophobicContact CB-CG2 3.67Å; R157-T227 HydrophobicContact CG-CG2 3.74Å; R157-T227 PolarHBondContact NE-OG1 2.98Å; R157-T227 PolarHBondContact NH2-OG1 3.33Å; F207-T227 HydrophobicContact CE1-CG2 4.44Å; T223-T227 PolarHBondContact O-N 3.21Å; T223-T227 PolarHBondContact O-OG1 3Å; A224-T227 PolarHBondContact O-N 3.27Å; H225-T227 VanDerWaalsContact C-N 3.3Å; H225-T227 PolarHBondContact O-N 3.42Å; T227-L230 PolarHBondContact O-N 2.84Å; T227-S231 WeakPolarHBondContact O-CB 3.41Å; T227-S231 PolarHBondContact O-N 3.48Å |
| 228 | L | 85.2 | Confident | 78.7 | Confident | 15 Ų | 15 | 32.2 Ų | 32.2 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 174.5 | -179.8 | 68.7 | 0 | 0 | 0 | 110.8 | F207 E208 L211 A224 H225 I226 L230 S231 Q232 | F207-L228 HydrophobicContact CB-CD1 4.31Å; F207-L228 HydrophobicContact CD1-CB 3.81Å; F207-L228 HydrophobicContact CD1-CD1 3.67Å; F207-L228 HydrophobicContact CD1-CG 4.29Å; F207-L228 HydrophobicContact CE1-CB 3.8Å; F207-L228 HydrophobicContact CG-CD1 4.38Å; E208-L228 HydrophobicContact CB-CD1 4.38Å; E208-L228 HydrophobicContact CB-CD2 3.89Å; E208-L228 HydrophobicContact CG-CD2 4.03Å; L211-L228 HydrophobicContact CD1-CB 4.23Å; L211-L228 HydrophobicContact CD1-CD2 4.04Å; A224-L228 PolarHBondContact O-N 3.33Å; H225-L228 PolarHBondContact O-N 3.5Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.43Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 2.93Å; L228-S231 WeakPolarHBondContact O-CB 3.46Å; L228-S231 PolarHBondContact O-N 2.87Å; L228-S231 VanDerWaalsContact O-N 3.13Å; L228-S231 PolarHBondContact O-OG 3.33Å; L228-Q232 WeakPolarHBondContact O-CG 3.49Å; L228-Q232 PolarHBondContact O-N 3.45Å |
| 229 | C | 85.4 | Confident | 78.9 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 34% | 0.338 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 177.5 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | H225 I226 S231 Q232 L233 L276 | H225-C229 PolarHBondContact O-N 3.44Å; H225-C229 PolarHBondContact O-SG 3.05Å; H225-C229 VanDerWaalsContact O-SG 3.37Å; I226-C229 PolarHBondContact O-N 3.01Å; C229-S231 VanDerWaalsContact C-N 3.33Å; C229-S231 PolarHBondContact O-N 3.3Å; C229-Q232 PolarHBondContact O-N 2.81Å; C229-L233 WeakPolarHBondContact O-CB 3.43Å; C229-L233 PolarHBondContact O-N 3.5Å; C229-L276 HydrophobicContact CB-CD2 3.67Å |
| 230 | L | 86.2 | Confident | 79 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 176.5 | -66.4 | -177.4 | 0 | 0 | 0 | 112.6 | I160 I226 T227 L228 L233 L234 L276 H296 A297 L300 | I160-L230 HydrophobicContact CD1-CB 3.77Å; I226-L230 HydrophobicContact CG2-CD1 3.98Å; I226-L230 HydrophobicContact CG2-CG 4.2Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.3Å; I226-L230 PolarHBondContact O-N 2.83Å; T227-L230 PolarHBondContact O-N 2.84Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 2.93Å; L230-L233 HydrophobicContact CD2-CD2 4.47Å; L230-L233 PolarHBondContact O-N 2.89Å; L230-L234 WeakPolarHBondContact O-CB 3.19Å; L230-L234 PolarHBondContact O-N 3.36Å; L230-L276 HydrophobicContact CD2-CD1 4.27Å; L230-H296 HydrophobicContact CD1-CB 3.86Å; L230-A297 HydrophobicContact CD1-CB 4.02Å; L230-A297 VanDerWaalsContact CD2-CA 3.46Å; L230-A297 HydrophobicContact CD2-CB 3.62Å; L230-A297 HydrophobicContact CG-CB 4.4Å; L230-L300 HydrophobicContact CB-CD1 4.15Å; L230-L300 HydrophobicContact CD2-CD1 4.31Å |
| 231 | S | 83.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 174.1 | 80.6 | 0 | 0 | 0 | 0 | 110.8 | Y200 T227 L228 C229 L233 L234 Y235 | Y200-S231 VanDerWaalsContact OH-CA 3.25Å; Y200-S231 WeakPolarHBondContact OH-CA 3.01Å; Y200-S231 VanDerWaalsContact OH-CB 3.23Å; Y200-S231 WeakPolarHBondContact OH-CB 3.31Å; Y200-S231 PolarHBondContact OH-O 3.12Å; T227-S231 WeakPolarHBondContact O-CB 3.41Å; T227-S231 PolarHBondContact O-N 3.48Å; L228-S231 WeakPolarHBondContact O-CB 3.46Å; L228-S231 PolarHBondContact O-N 2.87Å; L228-S231 VanDerWaalsContact O-N 3.13Å; L228-S231 PolarHBondContact O-OG 3.33Å; C229-S231 VanDerWaalsContact C-N 3.33Å; C229-S231 PolarHBondContact O-N 3.3Å; S231-L233 VanDerWaalsContact C-N 3.35Å; S231-L233 PolarHBondContact O-N 2.96Å; S231-L234 PolarHBondContact O-N 3.22Å; S231-Y235 PolarHBondContact O-N 3.38Å |
| 232 | Q | 82.8 | Confident | 78.5 | Confident | 54 Ų | 54 | 32.6 Ų | 32.6 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 177 | -68.7 | 176 | -10.1 | 0 | 0 | 111.9 | L228 C229 Y235 R236 | L228-Q232 WeakPolarHBondContact O-CG 3.49Å; L228-Q232 PolarHBondContact O-N 3.45Å; C229-Q232 PolarHBondContact O-N 2.81Å; Q232-Y235 PolarHBondContact O-N 2.75Å; Q232-R236 WeakPolarHBondContact O-CG 3.27Å; Q232-R236 PolarHBondContact O-N 3.46Å |
| 233 | L | 83.4 | Confident | 77.2 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 173.6 | -178.3 | 78.7 | 0 | 0 | 0 | 111.1 | C229 L230 S231 Y235 R236 L237 I269 I273 L300 | C229-L233 WeakPolarHBondContact O-CB 3.43Å; C229-L233 PolarHBondContact O-N 3.5Å; L230-L233 HydrophobicContact CD2-CD2 4.47Å; L230-L233 PolarHBondContact O-N 2.89Å; S231-L233 VanDerWaalsContact C-N 3.35Å; S231-L233 PolarHBondContact O-N 2.96Å; L233-Y235 VanDerWaalsContact C-N 3.34Å; L233-Y235 PolarHBondContact O-N 2.94Å; L233-R236 PolarHBondContact O-N 3.33Å; L233-L237 HydrophobicContact CG-CD1 4.33Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.8Å; L233-I269 HydrophobicContact CD1-CB 4.26Å; L233-I269 HydrophobicContact CD1-CD1 4.39Å; L233-I269 HydrophobicContact CD1-CG1 3.84Å; L233-I269 HydrophobicContact CD1-CG2 3.7Å; L233-I273 HydrophobicContact CD2-CD1 4.2Å; L233-L300 HydrophobicContact CD2-CB 3.61Å; L233-L300 HydrophobicContact CD2-CD1 4.25Å |
| 234 | L | 82.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 177.8 | 173.6 | 56.7 | 0 | 0 | 0 | 111.8 | I160 F163 I194 L230 S231 L237 Y238 L300 | I160-L234 HydrophobicContact CB-CD2 4.1Å; I160-L234 HydrophobicContact CG1-CD2 3.59Å; I160-L234 HydrophobicContact CG2-CD2 4.5Å; F163-L234 HydrophobicContact CB-CD1 4.2Å; F163-L234 HydrophobicContact CB-CD2 4.3Å; F163-L234 HydrophobicContact CD1-CD1 3.23Å; F163-L234 HydrophobicContact CD2-CD1 4.07Å; F163-L234 HydrophobicContact CE1-CD1 3.43Å; F163-L234 VanDerWaalsContact CE1-CD1 3.43Å; F163-L234 HydrophobicContact CE2-CD1 4.24Å; F163-L234 HydrophobicContact CG-CD1 3.56Å; F163-L234 HydrophobicContact CZ-CD1 3.93Å; I194-L234 HydrophobicContact CD1-CD1 3.84Å; I194-L234 HydrophobicContact CD1-CD2 3.61Å; I194-L234 HydrophobicContact CD1-CG 3.54Å; I194-L234 HydrophobicContact CG1-CD2 4.41Å; I194-L234 HydrophobicContact CG1-CG 4.47Å; L230-L234 WeakPolarHBondContact O-CB 3.19Å; L230-L234 PolarHBondContact O-N 3.36Å; S231-L234 PolarHBondContact O-N 3.22Å; L234-L237 PolarHBondContact O-N 3.35Å; L234-Y238 VanDerWaalsContact O-CB 3.32Å; L234-Y238 WeakPolarHBondContact O-CB 3.31Å; L234-Y238 PolarHBondContact O-N 2.9Å; L234-L300 HydrophobicContact CB-CD1 4.23Å; L234-L300 HydrophobicContact CB-CD2 4.24Å; L234-L300 HydrophobicContact CD1-CD2 3.92Å |
| 235 | Y | 79 | Confident | 73.3 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.8 | -175.4 | -107.4 | 0 | 0 | 0 | 112.5 | I194 Y200 L201 S231 Q232 L233 Y238 I239 | I194-Y235 HydrophobicContact CG2-CD2 3.99Å; Y200-Y235 AromaticContact CD1-CD2 3.72Å; Y200-Y235 HydrophobicContact CD1-CD2 3.72Å; Y200-Y235 HydrophobicContact CD1-CE2 4.28Å; Y200-Y235 HydrophobicContact CD1-CG 4.34Å; Y200-Y235 AromaticContact CE1-CD2 3.77Å; Y200-Y235 HydrophobicContact CE1-CD2 3.77Å; Y200-Y235 AromaticContact CE1-CG 3.98Å; Y200-Y235 HydrophobicContact CE1-CG 3.98Å; L201-Y235 WeakPolarHBondContact CD1-OH 3.31Å; L201-Y235 HydrophobicContact CD2-CD1 4.37Å; L201-Y235 HydrophobicContact CD2-CE1 3.69Å; L201-Y235 HydrophobicContact CD2-CE2 4.15Å; L201-Y235 HydrophobicContact CG-CE1 4.49Å; L201-Y235 HydrophobicContact CG-CE2 4.19Å; S231-Y235 PolarHBondContact O-N 3.38Å; Q232-Y235 PolarHBondContact O-N 2.75Å; L233-Y235 VanDerWaalsContact C-N 3.34Å; L233-Y235 PolarHBondContact O-N 2.94Å; Y235-Y238 PolarHBondContact O-N 2.8Å; Y235-I239 HydrophobicContact CD1-CD1 3.71Å; Y235-I239 HydrophobicContact CD2-CD1 4.45Å; Y235-I239 HydrophobicContact CE1-CD1 3.13Å; Y235-I239 HydrophobicContact CE1-CG1 4.29Å; Y235-I239 HydrophobicContact CE2-CD1 3.97Å; Y235-I239 HydrophobicContact CE2-CG1 4.41Å; Y235-I239 HydrophobicContact CG-CD1 4.33Å; Y235-I239 WeakPolarHBondContact O-CG1 3.22Å; Y235-I239 PolarHBondContact O-N 3.09Å; Y235-I239 WeakPolarHBondContact OH-CD1 3.25Å |
| 236 | R | 76.8 | Confident | 70.9 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -51 | 173.4 | -72.2 | -179.8 | -171.2 | 172.2 | 9.1 | 110.8 | Q232 L233 Y238 I239 Y240 D272 | Q232-R236 WeakPolarHBondContact O-CG 3.27Å; Q232-R236 PolarHBondContact O-N 3.46Å; L233-R236 PolarHBondContact O-N 3.33Å; R236-Y238 PolarHBondContact O-N 2.86Å; R236-I239 PolarHBondContact O-N 3.11Å; R236-Y240 WeakPolarHBondContact O-CB 3.31Å; R236-Y240 VanDerWaalsContact O-CD2 3.28Å; R236-Y240 WeakPolarHBondContact O-CD2 3.47Å; R236-Y240 PolarHBondContact O-N 3.35Å; R236-D272 IonicContact CZ-OD2 3.39Å; R236-D272 IonicContact NH1-OD2 2.74Å; R236-D272 PolarHBondContact NH1-OD2 3.42Å; R236-D272 IonicContact NH2-OD2 2.83Å |
| 237 | L | 76.7 | Confident | 68.3 | Low | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 178 | -69.1 | 176.7 | 0 | 0 | 0 | 111.9 | F171 L233 L234 F241 I269 L300 A304 | F171-L237 HydrophobicContact CE2-CB 4.43Å; F171-L237 HydrophobicContact CZ-CB 4.2Å; L233-L237 HydrophobicContact CG-CD1 4.33Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.8Å; L234-L237 PolarHBondContact O-N 3.35Å; L237-F241 HydrophobicContact CD2-CD2 4.12Å; L237-F241 HydrophobicContact CD2-CE2 3.78Å; L237-F241 WeakPolarHBondContact O-CD2 3.38Å; L237-F241 PolarHBondContact O-N 3.47Å; L237-I269 HydrophobicContact CD2-CD1 4.26Å; L237-L300 HydrophobicContact CD1-CD2 4.46Å; L237-A304 HydrophobicContact CD1-CB 4.24Å; L237-A304 HydrophobicContact CD2-CB 3.78Å |
| 238 | Y | 72.5 | Confident | 65.5 | Low | 11 Ų | 11 | 52.6 Ų | 52.6 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 178.5 | -172.8 | -91 | 0 | 0 | 0 | 112.4 | F163 F182 I194 T195 L234 Y235 R236 I242 Y245 | F163-Y238 HydrophobicContact CE2-CD2 4.2Å; F182-Y238 HydrophobicContact CE1-CE2 4.48Å; I194-Y238 HydrophobicContact CB-CG 4.48Å; I194-Y238 HydrophobicContact CD1-CD2 4.45Å; I194-Y238 HydrophobicContact CG2-CD1 3.73Å; I194-Y238 HydrophobicContact CG2-CD2 4.24Å; I194-Y238 HydrophobicContact CG2-CE1 4.31Å; I194-Y238 HydrophobicContact CG2-CG 3.72Å; T195-Y238 WeakPolarHBondContact CG2-OH 3.38Å; L234-Y238 VanDerWaalsContact O-CB 3.32Å; L234-Y238 WeakPolarHBondContact O-CB 3.31Å; L234-Y238 PolarHBondContact O-N 2.9Å; Y235-Y238 PolarHBondContact O-N 2.8Å; R236-Y238 PolarHBondContact O-N 2.86Å; Y238-I242 HydrophobicContact CD2-CD1 3.58Å; Y238-I242 HydrophobicContact CE2-CD1 3.38Å; Y238-I242 HydrophobicContact CG-CD1 4.43Å; Y238-I242 PolarHBondContact O-N 3.35Å; Y238-Y245 HydrophobicContact CE1-CD2 4.21Å; Y238-Y245 HydrophobicContact CE1-CG 4.44Å |
| 239 | I | 68 | Low | 62.7 | Low | 61 Ų | 61 | 59.4 Ų | 59.4 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 178.5 | -72 | 170.1 | 0 | 0 | 0 | 111.8 | Y235 R236 | Y235-I239 HydrophobicContact CD1-CD1 3.71Å; Y235-I239 HydrophobicContact CD2-CD1 4.45Å; Y235-I239 HydrophobicContact CE1-CD1 3.13Å; Y235-I239 HydrophobicContact CE1-CG1 4.29Å; Y235-I239 HydrophobicContact CE2-CD1 3.97Å; Y235-I239 HydrophobicContact CE2-CG1 4.41Å; Y235-I239 HydrophobicContact CG-CD1 4.33Å; Y235-I239 WeakPolarHBondContact O-CG1 3.22Å; Y235-I239 PolarHBondContact O-N 3.09Å; Y235-I239 WeakPolarHBondContact OH-CD1 3.25Å; R236-I239 PolarHBondContact O-N 3.11Å |
| 240 | Y | 67 | Low | 59.9 | Low | 109 Ų | 109 | 61.9 Ų | 61.9 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.7 | -32.6 | -171.1 | -88 | -80 | 0 | 0 | 0 | 113 | R236 L265 | R236-Y240 WeakPolarHBondContact O-CB 3.31Å; R236-Y240 VanDerWaalsContact O-CD2 3.28Å; R236-Y240 WeakPolarHBondContact O-CD2 3.47Å; R236-Y240 PolarHBondContact O-N 3.35Å; Y240-L265 HydrophobicContact CD1-CD2 4.17Å; Y240-L265 HydrophobicContact CD2-CD1 4.43Å; Y240-L265 HydrophobicContact CD2-CD2 4.22Å; Y240-L265 HydrophobicContact CE1-CD2 4.42Å; Y240-L265 HydrophobicContact CE2-CD1 4.11Å; Y240-L265 HydrophobicContact CE2-CD2 4.47Å; Y240-L265 HydrophobicContact CG-CD2 4.07Å |
| 241 | F | 65.5 | Low | 57 | Low | 34 Ų | 34 | 67.7 Ų | 67.7 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -110.8 | -9.8 | -169.5 | -66.1 | -66.3 | 0 | 0 | 0 | 115.7 | F171 L237 K307 L308 | F171-F241 HydrophobicContact CE2-CB 3.75Å; F171-F241 HydrophobicContact CE2-CD2 4.22Å; F171-F241 HydrophobicContact CE2-CG 4.37Å; F171-F241 HydrophobicContact CZ-CB 4.2Å; F171-F241 AromaticContact CZ-CD2 3.95Å; F171-F241 HydrophobicContact CZ-CD2 3.95Å; F171-F241 HydrophobicContact CZ-CG 4.35Å; L237-F241 HydrophobicContact CD2-CD2 4.12Å; L237-F241 HydrophobicContact CD2-CE2 3.78Å; L237-F241 WeakPolarHBondContact O-CD2 3.38Å; L237-F241 PolarHBondContact O-N 3.47Å; F241-K307 HydrophobicContact CD1-CB 3.94Å; F241-K307 HydrophobicContact CD1-CD 4.12Å; F241-K307 HydrophobicContact CD1-CG 4.2Å; F241-K307 HydrophobicContact CD2-CB 3.92Å; F241-K307 HydrophobicContact CD2-CG 4.17Å; F241-K307 HydrophobicContact CE1-CB 3.7Å; F241-K307 HydrophobicContact CE1-CG 4.45Å; F241-K307 HydrophobicContact CE2-CB 3.68Å; F241-K307 HydrophobicContact CE2-CG 4.43Å; F241-K307 HydrophobicContact CG-CB 4.06Å; F241-K307 HydrophobicContact CG-CD 4.31Å; F241-K307 HydrophobicContact CG-CG 4.06Å; F241-K307 HydrophobicContact CZ-CB 3.58Å; F241-L308 HydrophobicContact CZ-CD2 3.78Å; F241-L308 HydrophobicContact CZ-CG 3.92Å |
| 242 | I | 60.7 | Low | 54.2 | Low | 21 Ų | 21 | 76.6 Ų | 76.6 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | trans | -107.7 | 105.5 | 174.8 | -63.8 | 172.7 | 0 | 0 | 0 | 108.8 | F171 Y238 N244 | F171-I242 HydrophobicContact CD2-CD1 4.28Å; F171-I242 HydrophobicContact CD2-CG1 4.39Å; Y238-I242 HydrophobicContact CD2-CD1 3.58Å; Y238-I242 HydrophobicContact CE2-CD1 3.38Å; Y238-I242 HydrophobicContact CG-CD1 4.43Å; Y238-I242 PolarHBondContact O-N 3.35Å; I242-N244 PolarHBondContact O-N 3.17Å | ||
| 243 | P | 49.5 | Very low | 51.5 | Low | 93 Ų | 93 | 81 Ų | 81 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.2 | -167.6 | -23.2 | 33 | 0 | 0 | 0 | 116.4 | Y245 | P243-Y245 VanDerWaalsContact C-N 3.34Å; P243-Y245 PolarHBondContact O-N 2.59Å |
| 244 | N | 44 | Very low | 48.8 | Very low | 116 Ų | 116 | 85.3 Ų | 85.3 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 2.1 | -172 | -72.7 | -8.5 | 0 | 0 | 0 | 115.1 | I242 | I242-N244 PolarHBondContact O-N 3.17Š|
| 245 | Y | 37.5 | Very low | 46.4 | Very low | 86 Ų | 86 | 93.4 Ų | 93.4 | 34% | 0.337 | 51% | 0.509 | S | S | . | . | trans | -122.5 | 70.3 | 177.4 | -92.6 | -91.6 | 0 | 0 | 0 | 111.5 | T195 Y238 P243 P247 | T195-Y245 PolarHBondContact O-OH 2.92Å; Y238-Y245 HydrophobicContact CE1-CD2 4.21Å; Y238-Y245 HydrophobicContact CE1-CG 4.44Å; P243-Y245 VanDerWaalsContact C-N 3.34Å; P243-Y245 PolarHBondContact O-N 2.59Å; Y245-P247 WeakPolarHBondContact O-CD 3.41Å | ||
| 246 | S | 31.3 | Very low | 43.9 | Very low | 91 Ų | 91 | 98.1 Ų | 98.1 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | trans | -74.4 | 123.3 | 155.1 | 60.7 | 0 | 0 | 0 | 0 | 107.9 | T248 | S246-T248 VanDerWaalsContact C-N 3.27Å; S246-T248 PolarHBondContact O-N 3.14Å | ||
| 247 | P | 30.3 | Very low | 41.8 | Very low | 102 Ų | 102 | 96.5 Ų | 96.5 | 66% | 0.662 | 55% | 0.547 | S | S | * | . | trans | -69.4 | 91.8 | 172.4 | 26.7 | -29.8 | 0 | 0 | 0 | 107.9 | Y245 N249 | Y245-P247 WeakPolarHBondContact O-CD 3.41Å; P247-N249 PolarHBondContact O-N 3.36Å; P247-N249 VanDerWaalsContact O-N 3.13Å | ||
| 248 | T | 28.3 | Very low | 39.9 | Very low | 112 Ų | 112 | 101.2 Ų | 101.2 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | trans | -56.6 | 115.8 | 162.5 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | S246 | S246-T248 VanDerWaalsContact C-N 3.27Å; S246-T248 PolarHBondContact O-N 3.14Å | ||
| 249 | N | 26.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 107 Ų | 107 | 85% | 0.845 | 60% | 0.604 | S | S | * | * | trans | 102.6 | 72.6 | 173.4 | -50.1 | -25.4 | 0 | 0 | 0 | 116.9 | P247 | P247-N249 PolarHBondContact O-N 3.36Å; P247-N249 VanDerWaalsContact O-N 3.13Å | ||
| 250 | S | 26.2 | Very low | 37 | Very low | 103 Ų | 103 | 111.1 Ų | 111.1 | 72% | 0.72 | 62% | 0.622 | S | S | * | * | trans | -163.3 | 99.6 | 135.6 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 251 | V | 25.2 | Very low | 36.3 | Very low | 124 Ų | 124 | 110.5 Ų | 110.5 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | trans | 47.1 | 110.3 | 143.3 | -167.2 | 0 | 0 | 0 | 0 | 118.5 | D253 | V251-D253 PolarHBondContact O-N 2.79Š| ||
| 252 | E | 24.2 | Very low | 35.7 | Very low | 187 Ų | 187 | 113.6 Ų | 113.6 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | 0.5 | 88.5 | 134.8 | -61 | 176.6 | 162.9 | 0 | 0 | 115.8 | ||||
| 253 | D | 25.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | -136.5 | 105.7 | 153.9 | -93.7 | -33.3 | 0 | 0 | 0 | 109.4 | V251 | V251-D253 PolarHBondContact O-N 2.79Š| ||
| 254 | S | 27.2 | Very low | 36.1 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | trans | 56.7 | 103.4 | 163.1 | 58.5 | 0 | 0 | 0 | 0 | 118.6 | N256 | S254-N256 PolarHBondContact O-N 3.33Š| ||
| 255 | N | 32.3 | Very low | 37.3 | Very low | 170 Ų | 170 | 110.7 Ų | 110.7 | 91% | 0.909 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -62.8 | 27.2 | 163.7 | -100.1 | -19.3 | 0 | 0 | 0 | 115.4 | ||
| 256 | N | 27.9 | Very low | 39.1 | Very low | 151 Ų | 151 | 107.4 Ų | 107.4 | 81% | 0.807 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -139.1 | 110.5 | 179.1 | -74.6 | -27.7 | 0 | 0 | 0 | 109.3 | S254 | S254-N256 PolarHBondContact O-N 3.33Š|
| 257 | G | 30.7 | Very low | 41.4 | Very low | 50 Ų | 50 | 106.9 Ų | 106.9 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | trans | 124.9 | 26.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 258 | N | 37.5 | Very low | 43.7 | Very low | 102 Ų | 102 | 106.1 Ų | 106.1 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | trans | -88.2 | -16.7 | 176.8 | -78.8 | -18.8 | 0 | 0 | 0 | 114.9 | K261 | N258-K261 VanDerWaalsContact OD1-CE 3.31Å; N258-K261 WeakPolarHBondContact OD1-CE 3.18Å; N258-K261 PolarHBondContact OD1-NZ 3Å | ||
| 259 | D | 40.1 | Very low | 46.2 | Very low | 132 Ų | 132 | 100.9 Ų | 100.9 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -17.9 | -174.5 | -71.4 | -34 | 0 | 0 | 0 | 114.2 | K261 | D259-K261 VanDerWaalsContact C-N 3.27Å; D259-K261 PolarHBondContact O-N 3.07Å |
| 260 | E | 39.8 | Very low | 48.7 | Very low | 147 Ų | 147 | 96.4 Ų | 96.4 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3.8 | 175.3 | -70.9 | -179.5 | 159.2 | 0 | 0 | 113.4 | ||
| 261 | K | 51.5 | Low | 51.3 | Low | 96 Ų | 96 | 95.5 Ų | 95.5 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.4 | -23.1 | -166 | -70.9 | -177.7 | 174.7 | 177.5 | 0 | 116.6 | N258 D259 L265 | N258-K261 VanDerWaalsContact OD1-CE 3.31Å; N258-K261 WeakPolarHBondContact OD1-CE 3.18Å; N258-K261 PolarHBondContact OD1-NZ 3Å; D259-K261 VanDerWaalsContact C-N 3.27Å; D259-K261 PolarHBondContact O-N 3.07Å; K261-L265 WeakPolarHBondContact O-CB 3.26Å; K261-L265 PolarHBondContact O-N 3.49Å |
| 262 | Y | 53.1 | Low | 53.9 | Low | 99 Ų | 99 | 92 Ų | 92 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -80.2 | -44.1 | -171.3 | -72.8 | -81.1 | 0 | 0 | 0 | 114 | D264 L265 W266 C568 | Y262-D264 PolarHBondContact O-N 3.35Å; Y262-L265 WeakPolarHBondContact O-CB 3.22Å; Y262-L265 PolarHBondContact O-N 3.45Å; Y262-L265 VanDerWaalsContact O-N 3.16Å; Y262-W266 PolarHBondContact O-N 3.43Å; Y262-C568 VanDerWaalsContact CD1-SG 3.51Å |
| 263 | S | 53.4 | Low | 56.6 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 57% | 0.566 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.5 | -36.6 | 171.8 | 47.8 | 0 | 0 | 0 | 0 | 111 | L265 N267 | S263-L265 VanDerWaalsContact C-N 3.34Å; S263-N267 PolarHBondContact O-N 3.08Å; S263-N267 PolarHBondContact O-ND2 3.5Å |
| 264 | D | 65.1 | Low | 59.2 | Low | 81 Ų | 81 | 79 Ų | 79 | 43% | 0.433 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 175.4 | -73.4 | -2.5 | 0 | 0 | 0 | 111.8 | Y262 N267 L268 | Y262-D264 PolarHBondContact O-N 3.35Å; D264-N267 PolarHBondContact O-N 3.1Å; D264-L268 VanDerWaalsContact O-CB 3.26Å; D264-L268 WeakPolarHBondContact O-CB 3.35Å; D264-L268 WeakPolarHBondContact O-CD1 3.36Å; D264-L268 WeakPolarHBondContact O-CG 3.45Å; D264-L268 PolarHBondContact O-N 3Å |
| 265 | L | 70.5 | Confident | 61.8 | Low | 7 Ų | 7 | 81.6 Ų | 81.6 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | -179.1 | -172.3 | 65.1 | 0 | 0 | 0 | 112.6 | Y240 K261 Y262 S263 L268 I269 L308 | Y240-L265 HydrophobicContact CD1-CD2 4.17Å; Y240-L265 HydrophobicContact CD2-CD1 4.43Å; Y240-L265 HydrophobicContact CD2-CD2 4.22Å; Y240-L265 HydrophobicContact CE1-CD2 4.42Å; Y240-L265 HydrophobicContact CE2-CD1 4.11Å; Y240-L265 HydrophobicContact CE2-CD2 4.47Å; Y240-L265 HydrophobicContact CG-CD2 4.07Å; K261-L265 WeakPolarHBondContact O-CB 3.26Å; K261-L265 PolarHBondContact O-N 3.49Å; Y262-L265 WeakPolarHBondContact O-CB 3.22Å; Y262-L265 PolarHBondContact O-N 3.45Å; Y262-L265 VanDerWaalsContact O-N 3.16Å; S263-L265 VanDerWaalsContact C-N 3.34Å; L265-L268 PolarHBondContact O-N 3.2Å; L265-I269 HydrophobicContact CD1-CD1 4.29Å; L265-I269 HydrophobicContact CG-CD1 3.99Å; L265-I269 WeakPolarHBondContact O-CB 3.26Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.35Å; L265-I269 PolarHBondContact O-N 3.34Å; L265-L308 HydrophobicContact CD2-CD2 4.14Å |
| 266 | W | 75.5 | Confident | 64.1 | Low | 18 Ų | 18 | 74 Ų | 74 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 175.3 | 177.7 | -111.9 | 0 | 0 | 0 | 111.2 | Y262 L268 I269 Q270 Y301 A304 A305 L308 Q310 I317 | Y262-W266 PolarHBondContact O-N 3.43Å; W266-L268 VanDerWaalsContact C-N 3.32Å; W266-L268 PolarHBondContact O-N 3.02Å; W266-I269 PolarHBondContact O-N 3.26Å; W266-Q270 VanDerWaalsContact O-CB 3.3Å; W266-Q270 WeakPolarHBondContact O-CB 3.49Å; W266-Q270 PolarHBondContact O-N 3.07Å; W266-Y301 HydrophobicContact CH2-CD2 4.07Å; W266-Y301 AromaticContact CH2-CE2 3.38Å; W266-Y301 HydrophobicContact CH2-CE2 3.38Å; W266-Y301 HydrophobicContact CZ2-CE2 4.09Å; W266-Y301 HydrophobicContact CZ3-CD2 4.24Å; W266-Y301 AromaticContact CZ3-CE2 3.83Å; W266-Y301 HydrophobicContact CZ3-CE2 3.83Å; W266-A304 HydrophobicContact CZ3-CB 4.36Å; W266-A305 HydrophobicContact CH2-CB 3.52Å; W266-A305 VanDerWaalsContact CZ3-CA 3.4Å; W266-A305 HydrophobicContact CZ3-CB 3.63Å; W266-L308 HydrophobicContact CB-CD1 4.01Å; W266-L308 HydrophobicContact CD2-CD1 4.5Å; W266-L308 HydrophobicContact CE3-CD1 3.74Å; W266-Q310 HydrophobicContact CD2-CG 3.78Å; W266-Q310 HydrophobicContact CE3-CG 4.12Å; W266-Q310 HydrophobicContact CG-CG 4.06Å; W266-Q310 HydrophobicContact CZ2-CB 4.38Å; W266-Q310 HydrophobicContact CZ2-CG 4.39Å; W266-I317 HydrophobicContact CH2-CD1 4.44Å |
| 267 | N | 78.2 | Confident | 66.5 | Low | 80 Ų | 80 | 69 Ų | 69 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 178.4 | -71.4 | -25.7 | 0 | 0 | 0 | 111.9 | S263 D264 N271 | S263-N267 PolarHBondContact O-N 3.08Å; S263-N267 PolarHBondContact O-ND2 3.5Å; D264-N267 PolarHBondContact O-N 3.1Å; N267-N271 VanDerWaalsContact O-CB 3.27Å; N267-N271 WeakPolarHBondContact O-CB 3.45Å; N267-N271 PolarHBondContact O-N 3.09Å; N267-N271 PolarHBondContact O-ND2 3.01Å; N267-N271 VanDerWaalsContact O-ND2 3.14Å |
| 268 | L | 78.3 | Confident | 68.5 | Low | 86 Ų | 86 | 66.7 Ų | 66.7 | 45% | 0.45 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 175 | -75.1 | 167.3 | 0 | 0 | 0 | 111.4 | D264 L265 W266 N271 D272 | D264-L268 VanDerWaalsContact O-CB 3.26Å; D264-L268 WeakPolarHBondContact O-CB 3.35Å; D264-L268 WeakPolarHBondContact O-CD1 3.36Å; D264-L268 WeakPolarHBondContact O-CG 3.45Å; D264-L268 PolarHBondContact O-N 3Å; L265-L268 PolarHBondContact O-N 3.2Å; W266-L268 VanDerWaalsContact C-N 3.32Å; W266-L268 PolarHBondContact O-N 3.02Å; L268-N271 PolarHBondContact O-N 3.02Å; L268-D272 WeakPolarHBondContact O-CB 3.46Å; L268-D272 VanDerWaalsContact O-CG 3.27Å; L268-D272 PolarHBondContact O-N 3.29Å |
| 269 | I | 80.6 | Confident | 70 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.7 | -70.9 | 169.6 | 0 | 0 | 0 | 110.9 | L233 L237 L265 W266 N271 D272 I273 Y301 A304 L308 | L233-I269 HydrophobicContact CD1-CB 4.26Å; L233-I269 HydrophobicContact CD1-CD1 4.39Å; L233-I269 HydrophobicContact CD1-CG1 3.84Å; L233-I269 HydrophobicContact CD1-CG2 3.7Å; L237-I269 HydrophobicContact CD2-CD1 4.26Å; L265-I269 HydrophobicContact CD1-CD1 4.29Å; L265-I269 HydrophobicContact CG-CD1 3.99Å; L265-I269 WeakPolarHBondContact O-CB 3.26Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.35Å; L265-I269 PolarHBondContact O-N 3.34Å; W266-I269 PolarHBondContact O-N 3.26Å; I269-N271 VanDerWaalsContact C-N 3.31Å; I269-N271 PolarHBondContact O-N 3.23Å; I269-D272 PolarHBondContact O-N 2.85Å; I269-I273 HydrophobicContact CG2-CD1 3.62Å; I269-I273 HydrophobicContact CG2-CG1 4.46Å; I269-I273 WeakPolarHBondContact O-CB 3.43Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.16Å; I269-I273 PolarHBondContact O-N 3.01Å; I269-Y301 HydrophobicContact CG2-CD2 4.4Å; I269-A304 HydrophobicContact CD1-CB 4.01Å; I269-A304 HydrophobicContact CG2-CB 3.97Å; I269-L308 HydrophobicContact CD1-CD1 3.94Å |
| 270 | Q | 79.8 | Confident | 71.4 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177.3 | -175.3 | 174.6 | -4.4 | 0 | 0 | 110.9 | W266 N274 | W266-Q270 VanDerWaalsContact O-CB 3.3Å; W266-Q270 WeakPolarHBondContact O-CB 3.49Å; W266-Q270 PolarHBondContact O-N 3.07Å; Q270-N274 WeakPolarHBondContact O-CB 3.31Å; Q270-N274 PolarHBondContact O-N 2.68Å; Q270-N274 PolarHBondContact O-ND2 3.25Å |
| 271 | N | 81.3 | Confident | 73 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.5 | -75.7 | -26.1 | 0 | 0 | 0 | 112.4 | N267 L268 I269 I273 N274 K275 | N267-N271 VanDerWaalsContact O-CB 3.27Å; N267-N271 WeakPolarHBondContact O-CB 3.45Å; N267-N271 PolarHBondContact O-N 3.09Å; N267-N271 PolarHBondContact O-ND2 3.01Å; N267-N271 VanDerWaalsContact O-ND2 3.14Å; L268-N271 PolarHBondContact O-N 3.02Å; I269-N271 VanDerWaalsContact C-N 3.31Å; I269-N271 PolarHBondContact O-N 3.23Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 3.09Å; N271-N274 PolarHBondContact O-N 2.83Å; N271-K275 VanDerWaalsContact O-CG 3.27Å; N271-K275 WeakPolarHBondContact O-CG 3.46Å; N271-K275 PolarHBondContact O-N 2.97Å |
| 272 | D | 80 | Confident | 74.2 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 179.3 | -72.6 | -15.6 | 0 | 0 | 0 | 111 | R236 L268 I269 K275 | R236-D272 IonicContact CZ-OD2 3.39Å; R236-D272 IonicContact NH1-OD2 2.74Å; R236-D272 PolarHBondContact NH1-OD2 3.42Å; R236-D272 IonicContact NH2-OD2 2.83Å; L268-D272 WeakPolarHBondContact O-CB 3.46Å; L268-D272 VanDerWaalsContact O-CG 3.27Å; L268-D272 PolarHBondContact O-N 3.29Å; I269-D272 PolarHBondContact O-N 2.85Å; D272-K275 PolarHBondContact O-N 3.49Å |
| 273 | I | 80.9 | Confident | 75.4 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.8 | -36.9 | 177.9 | -68.6 | 170 | 0 | 0 | 0 | 111.9 | L233 I269 N271 K275 L276 F284 Y301 | L233-I273 HydrophobicContact CD2-CD1 4.2Å; I269-I273 HydrophobicContact CG2-CD1 3.62Å; I269-I273 HydrophobicContact CG2-CG1 4.46Å; I269-I273 WeakPolarHBondContact O-CB 3.43Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.16Å; I269-I273 PolarHBondContact O-N 3.01Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 3.09Å; I273-K275 PolarHBondContact O-N 3.24Å; I273-L276 WeakPolarHBondContact O-CB 3.33Å; I273-L276 PolarHBondContact O-N 3.37Å; I273-F284 HydrophobicContact CG2-CB 3.68Å; I273-Y301 HydrophobicContact CD1-CD1 4.26Å; I273-Y301 HydrophobicContact CD1-CD2 3.13Å; I273-Y301 HydrophobicContact CD1-CE2 3.75Å; I273-Y301 HydrophobicContact CD1-CG 3.43Å; I273-Y301 VanDerWaalsContact CD1-CG 3.43Å; I273-Y301 HydrophobicContact CG1-CD2 4.48Å; I273-Y301 HydrophobicContact CG2-CD1 4.07Å; I273-Y301 HydrophobicContact CG2-CE1 4.21Å; I273-Y301 HydrophobicContact CG2-CG 4.29Å |
| 274 | N | 80 | Confident | 76.6 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 32% | 0.316 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.3 | -24.7 | 175.6 | -78.1 | -22.6 | 0 | 0 | 0 | 112.5 | Q270 N271 L276 V282 G283 | Q270-N274 WeakPolarHBondContact O-CB 3.31Å; Q270-N274 PolarHBondContact O-N 2.68Å; Q270-N274 PolarHBondContact O-ND2 3.25Å; N271-N274 PolarHBondContact O-N 2.83Å; N274-L276 VanDerWaalsContact C-N 3.34Å; N274-V282 WeakPolarHBondContact O-CG1 3.33Å; N274-G283 WeakPolarHBondContact O-CA 3.39Å; N274-G283 PolarHBondContact O-N 3.34Å |
| 275 | K | 81.8 | Confident | 77 | Confident | 152 Ų | 152 | 45.7 Ų | 45.7 | 66% | 0.661 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.1 | 176.1 | -74.7 | 170.5 | -175.8 | 174.3 | 0 | 114.3 | N271 D272 I273 D277 | N271-K275 VanDerWaalsContact O-CG 3.27Å; N271-K275 WeakPolarHBondContact O-CG 3.46Å; N271-K275 PolarHBondContact O-N 2.97Å; D272-K275 PolarHBondContact O-N 3.49Å; I273-K275 PolarHBondContact O-N 3.24Å; K275-D277 PolarHBondContact O-N 3.23Å |
| 276 | L | 80.2 | Confident | 77.2 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -67.7 | 119.2 | -178.8 | -61.7 | 176.2 | 0 | 0 | 0 | 110.8 | I226 C229 L230 I273 N274 F278 V282 G283 A297 | I226-L276 HydrophobicContact CG1-CD2 4.42Å; C229-L276 HydrophobicContact CB-CD2 3.67Å; L230-L276 HydrophobicContact CD2-CD1 4.27Å; I273-L276 WeakPolarHBondContact O-CB 3.33Å; I273-L276 PolarHBondContact O-N 3.37Å; N274-L276 VanDerWaalsContact C-N 3.34Å; L276-F278 HydrophobicContact CB-CE2 3.83Å; L276-F278 HydrophobicContact CB-CZ 3.82Å; L276-F278 HydrophobicContact CD1-CZ 3.98Å; L276-V282 WeakPolarHBondContact O-CA 3.38Å; L276-G283 PolarHBondContact O-N 2.69Å; L276-A297 HydrophobicContact CD1-CB 4.39Å | ||
| 277 | D | 77.5 | Confident | 76.6 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.3 | 175 | 176.9 | 23 | 0 | 0 | 0 | 111.2 | K222 K275 N279 G280 V281 V282 | K222-D277 IonicContact NZ-OD2 3.59Å; K222-D277 PolarHBondContact NZ-OD2 3.34Å; K222-D277 VanDerWaalsContact NZ-OD2 3.11Å; K275-D277 PolarHBondContact O-N 3.23Å; D277-N279 PolarHBondContact O-N 3.41Å; D277-G280 WeakPolarHBondContact OD1-CA 3.41Å; D277-G280 PolarHBondContact OD1-N 2.93Å; D277-V281 PolarHBondContact OD1-N 3.4Å; D277-V282 HydrophobicContact CB-CG2 4.35Å |
| 278 | F | 74.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 83.6 | 174.1 | -58.9 | -73 | 0 | 0 | 0 | 110.8 | I226 L276 G280 V281 S287 I292 D294 A297 | I226-F278 HydrophobicContact CD1-CD1 3.76Å; I226-F278 HydrophobicContact CD1-CE1 3.97Å; I226-F278 HydrophobicContact CG2-CE1 4.02Å; L276-F278 HydrophobicContact CB-CE2 3.83Å; L276-F278 HydrophobicContact CB-CZ 3.82Å; L276-F278 HydrophobicContact CD1-CZ 3.98Å; F278-G280 PolarHBondContact O-N 2.9Å; F278-V281 PolarHBondContact N-O 3.28Å; F278-V281 PolarHBondContact O-N 3.29Å; F278-S287 WeakPolarHBondContact CD2-OG 3.41Å; F278-I292 HydrophobicContact CB-CG2 4.12Å; F278-D294 HydrophobicContact CD1-CB 4.05Å; F278-D294 HydrophobicContact CE1-CB 3.37Å; F278-D294 HydrophobicContact CZ-CB 4.07Å; F278-A297 HydrophobicContact CE1-CB 4.5Å; F278-A297 HydrophobicContact CZ-CB 4.03Å |
| 279 | N | 67.5 | Low | 75.9 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 44.8 | 177.5 | -69.1 | 1.1 | 0 | 0 | 0 | 114 | D277 | D277-N279 PolarHBondContact O-N 3.41Š|
| 280 | G | 69.4 | Low | 75.6 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 62% | 0.619 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101 | -5.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D277 F278 | D277-G280 WeakPolarHBondContact OD1-CA 3.41Å; D277-G280 PolarHBondContact OD1-N 2.93Å; F278-G280 PolarHBondContact O-N 2.9Å |
| 281 | V | 73.8 | Confident | 75.1 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.6 | 178 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | D277 F278 N286 N290 | D277-V281 PolarHBondContact OD1-N 3.4Å; F278-V281 PolarHBondContact N-O 3.28Å; F278-V281 PolarHBondContact O-N 3.29Å; V281-N286 HydrophobicContact CG1-CB 3.81Å; V281-N290 WeakPolarHBondContact CG1-ND2 3.48Å; V281-N290 HydrophobicContact CG2-CB 4.24Å; V281-N290 WeakPolarHBondContact CG2-ND2 3.45Å |
| 282 | V | 77.7 | Confident | 74.7 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.9 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | N274 L276 D277 N286 | N274-V282 WeakPolarHBondContact O-CG1 3.33Å; L276-V282 WeakPolarHBondContact O-CA 3.38Å; D277-V282 HydrophobicContact CB-CG2 4.35Å; V282-N286 WeakPolarHBondContact O-CB 3.4Å; V282-N286 PolarHBondContact O-ND2 2.9Å; V282-N286 VanDerWaalsContact O-ND2 3.13Å |
| 283 | G | 77.4 | Confident | 74.7 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 91.9 | 143.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N274 L276 I285 N286 S287 | N274-G283 WeakPolarHBondContact O-CA 3.39Å; N274-G283 PolarHBondContact O-N 3.34Å; L276-G283 PolarHBondContact O-N 2.69Å; G283-I285 PolarHBondContact O-N 3.32Å; G283-N286 PolarHBondContact O-N 3.37Å; G283-S287 WeakPolarHBondContact O-CB 3.26Å; G283-S287 PolarHBondContact O-N 3.02Å; G283-S287 PolarHBondContact O-OG 3.47Å |
| 284 | F | 78.9 | Confident | 74.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | -173.8 | -179.5 | -96.1 | 0 | 0 | 0 | 113.1 | I273 N286 S287 S288 I293 Y301 I317 L321 | I273-F284 HydrophobicContact CG2-CB 3.68Å; F284-N286 VanDerWaalsContact C-N 3.35Å; F284-N286 PolarHBondContact O-N 3.03Å; F284-S287 WeakPolarHBondContact CA-OG 3.43Å; F284-S287 PolarHBondContact O-N 3.1Å; F284-S287 PolarHBondContact O-OG 2.95Å; F284-S288 PolarHBondContact O-N 3.26Å; F284-I293 HydrophobicContact CE2-CG2 3.95Å; F284-I293 HydrophobicContact CZ-CG2 4.36Å; F284-Y301 HydrophobicContact CB-CD1 4.43Å; F284-Y301 AromaticContact CD1-CD1 3.98Å; F284-Y301 HydrophobicContact CD1-CD1 3.98Å; F284-Y301 HydrophobicContact CD1-CE1 4.34Å; F284-Y301 HydrophobicContact CG-CD1 4.24Å; F284-I317 HydrophobicContact CD1-CG2 4.42Å; F284-I317 HydrophobicContact CE1-CG2 3.76Å; F284-I317 HydrophobicContact CZ-CG2 4.32Å; F284-L321 HydrophobicContact CE2-CD2 4.27Å; F284-L321 HydrophobicContact CZ-CD1 4.47Å; F284-L321 HydrophobicContact CZ-CD2 3.71Å; F284-L321 HydrophobicContact CZ-CG 3.97Å |
| 285 | I | 72.6 | Confident | 75 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | -177.6 | -62.6 | 171.5 | 0 | 0 | 0 | 111.1 | G283 S288 K289 | G283-I285 PolarHBondContact O-N 3.32Å; I285-S288 PolarHBondContact O-N 2.98Å; I285-S288 PolarHBondContact O-OG 3.04Å; I285-K289 PolarHBondContact O-N 3.12Å |
| 286 | N | 75.5 | Confident | 75.3 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 177.7 | -70.6 | -23.5 | 0 | 0 | 0 | 111.9 | V281 V282 G283 F284 S288 K289 N290 | V281-N286 HydrophobicContact CG1-CB 3.81Å; V282-N286 WeakPolarHBondContact O-CB 3.4Å; V282-N286 PolarHBondContact O-ND2 2.9Å; V282-N286 VanDerWaalsContact O-ND2 3.13Å; G283-N286 PolarHBondContact O-N 3.37Å; F284-N286 VanDerWaalsContact C-N 3.35Å; F284-N286 PolarHBondContact O-N 3.03Å; N286-S288 VanDerWaalsContact C-N 3.33Å; N286-S288 PolarHBondContact O-N 3.22Å; N286-K289 PolarHBondContact O-N 3.1Å; N286-N290 PolarHBondContact O-N 2.95Å |
| 287 | S | 63.1 | Low | 75.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 176.9 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | F278 G283 F284 K289 N290 G291 I292 | F278-S287 WeakPolarHBondContact CD2-OG 3.41Å; G283-S287 WeakPolarHBondContact O-CB 3.26Å; G283-S287 PolarHBondContact O-N 3.02Å; G283-S287 PolarHBondContact O-OG 3.47Å; F284-S287 WeakPolarHBondContact CA-OG 3.43Å; F284-S287 PolarHBondContact O-N 3.1Å; F284-S287 PolarHBondContact O-OG 2.95Å; S287-K289 VanDerWaalsContact C-N 3.29Å; S287-K289 PolarHBondContact O-N 2.74Å; S287-N290 CarbonylContact O-C 3.57Å; S287-N290 PolarHBondContact O-N 3.47Å; S287-G291 PolarHBondContact O-N 2.96Å; S287-I292 CarbonylContact C-O 3.47Å; S287-I292 VanDerWaalsContact CB-O 3.25Å; S287-I292 WeakPolarHBondContact CB-O 3.48Å; S287-I292 PolarHBondContact O-N 2.92Å; S287-I292 PolarHBondContact OG-O 3.13Å |
| 288 | S | 68.2 | Low | 76 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 176.8 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | F284 I285 N286 N290 G291 | F284-S288 PolarHBondContact O-N 3.26Å; I285-S288 PolarHBondContact O-N 2.98Å; I285-S288 PolarHBondContact O-OG 3.04Å; N286-S288 VanDerWaalsContact C-N 3.33Å; N286-S288 PolarHBondContact O-N 3.22Å; S288-N290 VanDerWaalsContact C-N 3.3Å; S288-N290 PolarHBondContact O-N 2.96Å; S288-G291 PolarHBondContact O-N 3.4Å |
| 289 | K | 73 | Confident | 76.7 | Confident | 159 Ų | 159 | 34.9 Ų | 34.9 | 69% | 0.691 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -66.9 | -30.6 | 176.4 | -69.7 | 178.7 | -179.2 | 176.6 | 0 | 112.6 | I285 N286 S287 G291 | I285-K289 PolarHBondContact O-N 3.12Å; N286-K289 PolarHBondContact O-N 3.1Å; S287-K289 VanDerWaalsContact C-N 3.29Å; S287-K289 PolarHBondContact O-N 2.74Å; K289-G291 VanDerWaalsContact C-N 3.32Å |
| 290 | N | 74.6 | Confident | 77.6 | Confident | 102 Ų | 102 | 32.1 Ų | 32.1 | 55% | 0.545 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.9 | 179.2 | -70 | -18.2 | 0 | 0 | 0 | 113.5 | V281 N286 S287 S288 I292 | V281-N290 WeakPolarHBondContact CG1-ND2 3.48Å; V281-N290 HydrophobicContact CG2-CB 4.24Å; V281-N290 WeakPolarHBondContact CG2-ND2 3.45Å; N286-N290 PolarHBondContact O-N 2.95Å; S287-N290 CarbonylContact O-C 3.57Å; S287-N290 PolarHBondContact O-N 3.47Å; S288-N290 VanDerWaalsContact C-N 3.3Å; S288-N290 PolarHBondContact O-N 2.96Å; N290-I292 VanDerWaalsContact C-N 3.3Å; N290-I292 PolarHBondContact O-N 3.26Å |
| 291 | G | 70.3 | Confident | 78.5 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 32% | 0.32 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 14.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S287 S288 K289 | S287-G291 PolarHBondContact O-N 2.96Å; S288-G291 PolarHBondContact O-N 3.4Å; K289-G291 VanDerWaalsContact C-N 3.32Å |
| 292 | I | 73 | Confident | 79.3 | Confident | 27 Ų | 27 | 28.4 Ų | 28.4 | 14% | 0.138 | 16% | 0.155 | C | C | . | . | trans | -111.9 | 117.2 | 176.2 | -55.7 | 174.7 | 0 | 0 | 0 | 107.5 | F278 S287 N290 L360 | F278-I292 HydrophobicContact CB-CG2 4.12Å; S287-I292 CarbonylContact C-O 3.47Å; S287-I292 VanDerWaalsContact CB-O 3.25Å; S287-I292 WeakPolarHBondContact CB-O 3.48Å; S287-I292 PolarHBondContact O-N 2.92Å; S287-I292 PolarHBondContact OG-O 3.13Å; N290-I292 VanDerWaalsContact C-N 3.3Å; N290-I292 PolarHBondContact O-N 3.26Å; I292-L360 HydrophobicContact CD1-CD1 4.4Å; I292-L360 HydrophobicContact CG1-CB 4.39Å; I292-L360 HydrophobicContact CG2-CB 4.1Å | ||
| 293 | I | 79.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -133.1 | 128.3 | 179.3 | -60.5 | -166.9 | 0 | 0 | 0 | 110 | F284 L295 L321 F324 L360 C361 | F284-I293 HydrophobicContact CE2-CG2 3.95Å; F284-I293 HydrophobicContact CZ-CG2 4.36Å; I293-L295 HydrophobicContact CG2-CD2 4.17Å; I293-L321 HydrophobicContact CG2-CD2 3.92Å; I293-F324 HydrophobicContact CB-CD1 4.14Å; I293-F324 HydrophobicContact CB-CD2 4.33Å; I293-F324 HydrophobicContact CB-CE1 3.89Å; I293-F324 HydrophobicContact CB-CE2 4.08Å; I293-F324 HydrophobicContact CB-CG 4.35Å; I293-F324 HydrophobicContact CB-CZ 3.85Å; I293-F324 HydrophobicContact CD1-CB 3.5Å; I293-F324 VanDerWaalsContact CD1-CB 3.5Å; I293-F324 HydrophobicContact CD1-CD1 3.87Å; I293-F324 HydrophobicContact CD1-CD2 3.37Å; I293-F324 HydrophobicContact CD1-CE1 4.41Å; I293-F324 HydrophobicContact CD1-CE2 3.97Å; I293-F324 HydrophobicContact CD1-CG 3.3Å; I293-F324 HydrophobicContact CD1-CZ 4.45Å; I293-F324 HydrophobicContact CG1-CD1 4.28Å; I293-F324 HydrophobicContact CG1-CD2 3.7Å; I293-F324 HydrophobicContact CG1-CE1 4.33Å; I293-F324 HydrophobicContact CG1-CE2 3.74Å; I293-F324 HydrophobicContact CG1-CG 3.98Å; I293-F324 HydrophobicContact CG1-CZ 4.06Å; I293-L360 PolarHBondContact N-O 3.48Å; I293-C361 WeakPolarHBondContact O-CA 3.28Å |
| 294 | D | 82.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -85.5 | 109.4 | 159 | -168.8 | -33.6 | 0 | 0 | 0 | 108.3 | R157 F278 H296 A297 G298 T362 | R157-D294 IonicContact NH1-OD2 3.86Å; F278-D294 HydrophobicContact CD1-CB 4.05Å; F278-D294 HydrophobicContact CE1-CB 3.37Å; F278-D294 HydrophobicContact CZ-CB 4.07Å; D294-H296 VanDerWaalsContact C-N 3.26Å; D294-H296 PolarHBondContact O-N 2.89Å; D294-H296 VanDerWaalsContact OD1-CB 3.31Å; D294-H296 WeakPolarHBondContact OD1-CB 3.22Å; D294-H296 IonicContact OD1-CG 2.76Å; D294-H296 PolarHBondContact OD1-N 3.34Å; D294-H296 IonicContact OD1-ND1 3.57Å; D294-H296 PolarHBondContact OD1-ND1 2.85Å; D294-A297 HydrophobicContact CB-CB 3.86Å; D294-A297 PolarHBondContact O-N 3.37Å; D294-A297 PolarHBondContact OD1-N 3.4Å; D294-G298 PolarHBondContact O-N 3.12Å; D294-T362 HydrophobicContact CB-CG2 4Å; D294-T362 VanDerWaalsContact CG-CG2 3.42Å; D294-T362 PolarHBondContact OD1-OG1 2.65Å; D294-T362 WeakPolarHBondContact OD2-CG2 3.38Å | ||
| 295 | L | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -31.9 | -178.7 | -71.9 | 175 | 0 | 0 | 0 | 111.4 | I293 G298 L299 L321 F324 I325 C361 T362 F364 Y383 | I293-L295 HydrophobicContact CG2-CD2 4.17Å; L295-G298 PolarHBondContact O-N 3.47Å; L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CD1 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.38Å; L295-L299 PolarHBondContact O-N 3.5Å; L295-L321 HydrophobicContact CD2-CD2 3.95Å; L295-F324 HydrophobicContact CD2-CD1 4.38Å; L295-I325 HydrophobicContact CD2-CD1 4.17Å; L295-I325 HydrophobicContact CD2-CG1 4.11Å; L295-C361 WeakPolarHBondContact CD1-SG 3.42Å; L295-T362 PolarHBondContact N-OG1 3.4Å; L295-T362 VanDerWaalsContact N-OG1 3.09Å; L295-F364 HydrophobicContact CB-CE2 3.82Å; L295-F364 HydrophobicContact CD1-CD2 4.42Å; L295-F364 HydrophobicContact CD1-CE2 4.01Å; L295-Y383 HydrophobicContact CD1-CD1 3.75Å; L295-Y383 HydrophobicContact CD1-CE1 3.51Å |
| 296 | H | 87 | Confident | 81 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 177.3 | -53.2 | 87.7 | 0 | 0 | 0 | 110.4 | I160 E161 L230 D294 L299 L300 T362 | I160-H296 HydrophobicContact CG2-CB 4.08Å; E161-H296 WeakPolarHBondContact CG-NE2 3.37Å; E161-H296 IonicContact OE1-CE1 3.15Å; E161-H296 IonicContact OE1-NE2 3.4Å; E161-H296 PolarHBondContact OE1-NE2 3.35Å; L230-H296 HydrophobicContact CD1-CB 3.86Å; D294-H296 VanDerWaalsContact C-N 3.26Å; D294-H296 PolarHBondContact O-N 2.89Å; D294-H296 VanDerWaalsContact OD1-CB 3.31Å; D294-H296 WeakPolarHBondContact OD1-CB 3.22Å; D294-H296 IonicContact OD1-CG 2.76Å; D294-H296 PolarHBondContact OD1-N 3.34Å; D294-H296 IonicContact OD1-ND1 3.57Å; D294-H296 PolarHBondContact OD1-ND1 2.85Å; H296-L299 PolarHBondContact O-N 3.34Å; H296-L300 WeakPolarHBondContact O-CB 3.17Å; H296-L300 WeakPolarHBondContact O-CG 3.23Å; H296-L300 PolarHBondContact O-N 3.13Å; H296-T362 PolarHBondContact ND1-OG1 3.09Å |
| 297 | A | 85 | Confident | 81.3 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L230 L276 F278 D294 Y301 | L230-A297 HydrophobicContact CD1-CB 4.02Å; L230-A297 VanDerWaalsContact CD2-CA 3.46Å; L230-A297 HydrophobicContact CD2-CB 3.62Å; L230-A297 HydrophobicContact CG-CB 4.4Å; L276-A297 HydrophobicContact CD1-CB 4.39Å; F278-A297 HydrophobicContact CE1-CB 4.5Å; F278-A297 HydrophobicContact CZ-CB 4.03Å; D294-A297 HydrophobicContact CB-CB 3.86Å; D294-A297 PolarHBondContact O-N 3.37Å; D294-A297 PolarHBondContact OD1-N 3.4Å; A297-Y301 VanDerWaalsContact O-CB 3.25Å; A297-Y301 WeakPolarHBondContact O-CB 3.48Å; A297-Y301 PolarHBondContact O-N 2.78Å |
| 298 | G | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D294 L295 Y301 V302 | D294-G298 PolarHBondContact O-N 3.12Å; L295-G298 PolarHBondContact O-N 3.47Å; G298-Y301 WeakPolarHBondContact O-CB 3.39Å; G298-Y301 PolarHBondContact O-N 3.28Å; G298-V302 WeakPolarHBondContact O-CG2 3.32Å; G298-V302 PolarHBondContact O-N 3.45Å |
| 299 | L | 89.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | -177.8 | -64.5 | 165.1 | 0 | 0 | 0 | 111.7 | L164 L295 H296 Y301 V302 L303 L321 F364 I386 W389 L390 | L164-L299 HydrophobicContact CD1-CB 4.02Å; L164-L299 HydrophobicContact CD1-CD1 3.85Å; L164-L299 HydrophobicContact CD2-CB 3.86Å; L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CD1 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.38Å; L295-L299 PolarHBondContact O-N 3.5Å; H296-L299 PolarHBondContact O-N 3.34Å; L299-Y301 VanDerWaalsContact C-N 3.28Å; L299-Y301 PolarHBondContact O-N 3.11Å; L299-V302 PolarHBondContact O-N 2.86Å; L299-L303 WeakPolarHBondContact O-CG 3.14Å; L299-L303 PolarHBondContact O-N 3.04Å; L299-L321 HydrophobicContact CD2-CD1 4.41Å; L299-F364 HydrophobicContact CD1-CE2 4.23Å; L299-F364 HydrophobicContact CD1-CZ 3.54Å; L299-I386 HydrophobicContact CD1-CG2 3.95Å; L299-I386 HydrophobicContact CD2-CG2 3.76Å; L299-I386 HydrophobicContact CG-CG2 4.44Å; L299-W389 HydrophobicContact CB-CH2 3.94Å; L299-W389 HydrophobicContact CB-CZ3 4.14Å; L299-W389 HydrophobicContact CD2-CD2 4.33Å; L299-W389 HydrophobicContact CD2-CE3 3.42Å; L299-W389 VanDerWaalsContact CD2-CE3 3.42Å; L299-W389 HydrophobicContact CD2-CH2 3.83Å; L299-W389 HydrophobicContact CD2-CZ3 3.15Å; L299-W389 HydrophobicContact CG-CH2 4.46Å; L299-W389 HydrophobicContact CG-CZ3 4.2Å; L299-L390 HydrophobicContact CD2-CD1 4.28Å; L299-L390 HydrophobicContact CD2-CD2 3.74Å; L299-L390 HydrophobicContact CD2-CG 3.91Å |
| 300 | L | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 173.9 | -68.8 | 173.4 | 0 | 0 | 0 | 112 | I160 L164 L230 L233 L234 L237 H296 L303 A304 | I160-L300 HydrophobicContact CG1-CD1 4.47Å; I160-L300 HydrophobicContact CG2-CD1 3.82Å; I160-L300 HydrophobicContact CG2-CD2 4.42Å; I160-L300 HydrophobicContact CG2-CG 4.19Å; L164-L300 HydrophobicContact CD2-CD2 4.22Å; L230-L300 HydrophobicContact CB-CD1 4.15Å; L230-L300 HydrophobicContact CD2-CD1 4.31Å; L233-L300 HydrophobicContact CD2-CB 3.61Å; L233-L300 HydrophobicContact CD2-CD1 4.25Å; L234-L300 HydrophobicContact CB-CD1 4.23Å; L234-L300 HydrophobicContact CB-CD2 4.24Å; L234-L300 HydrophobicContact CD1-CD2 3.92Å; L237-L300 HydrophobicContact CD1-CD2 4.46Å; H296-L300 WeakPolarHBondContact O-CB 3.17Å; H296-L300 WeakPolarHBondContact O-CG 3.23Å; H296-L300 PolarHBondContact O-N 3.13Å; L300-L303 HydrophobicContact CD2-CD1 4.37Å; L300-L303 PolarHBondContact O-N 3.21Å; L300-A304 PolarHBondContact O-N 2.95Å |
| 301 | Y | 89.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 10.2 Ų | 10.2 | 2% | 0.024 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65 | -45 | 175.8 | -169 | -159.3 | 0 | 0 | 0 | 112 | W266 I269 I273 F284 A297 G298 L299 L303 A304 A305 I317 | W266-Y301 HydrophobicContact CH2-CD2 4.07Å; W266-Y301 AromaticContact CH2-CE2 3.38Å; W266-Y301 HydrophobicContact CH2-CE2 3.38Å; W266-Y301 HydrophobicContact CZ2-CE2 4.09Å; W266-Y301 HydrophobicContact CZ3-CD2 4.24Å; W266-Y301 AromaticContact CZ3-CE2 3.83Å; W266-Y301 HydrophobicContact CZ3-CE2 3.83Å; I269-Y301 HydrophobicContact CG2-CD2 4.4Å; I273-Y301 HydrophobicContact CD1-CD1 4.26Å; I273-Y301 HydrophobicContact CD1-CD2 3.13Å; I273-Y301 HydrophobicContact CD1-CE2 3.75Å; I273-Y301 HydrophobicContact CD1-CG 3.43Å; I273-Y301 VanDerWaalsContact CD1-CG 3.43Å; I273-Y301 HydrophobicContact CG1-CD2 4.48Å; I273-Y301 HydrophobicContact CG2-CD1 4.07Å; I273-Y301 HydrophobicContact CG2-CE1 4.21Å; I273-Y301 HydrophobicContact CG2-CG 4.29Å; F284-Y301 HydrophobicContact CB-CD1 4.43Å; F284-Y301 AromaticContact CD1-CD1 3.98Å; F284-Y301 HydrophobicContact CD1-CD1 3.98Å; F284-Y301 HydrophobicContact CD1-CE1 4.34Å; F284-Y301 HydrophobicContact CG-CD1 4.24Å; A297-Y301 VanDerWaalsContact O-CB 3.25Å; A297-Y301 WeakPolarHBondContact O-CB 3.48Å; A297-Y301 PolarHBondContact O-N 2.78Å; G298-Y301 WeakPolarHBondContact O-CB 3.39Å; G298-Y301 PolarHBondContact O-N 3.28Å; L299-Y301 VanDerWaalsContact C-N 3.28Å; L299-Y301 PolarHBondContact O-N 3.11Å; Y301-L303 VanDerWaalsContact C-N 3.31Å; Y301-L303 PolarHBondContact O-N 2.98Å; Y301-A304 PolarHBondContact O-N 3.01Å; Y301-A305 PolarHBondContact O-N 3.46Å; Y301-I317 HydrophobicContact CD1-CD1 3.47Å; Y301-I317 VanDerWaalsContact CD1-CD1 3.47Å; Y301-I317 HydrophobicContact CD1-CG1 3.91Å; Y301-I317 HydrophobicContact CD1-CG2 4.01Å; Y301-I317 HydrophobicContact CD2-CD1 4.07Å; Y301-I317 HydrophobicContact CE1-CD1 3.4Å; Y301-I317 HydrophobicContact CE1-CG1 3.82Å; Y301-I317 HydrophobicContact CE2-CD1 4.04Å; Y301-I317 HydrophobicContact CG-CD1 3.81Å |
| 302 | V | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | G298 L299 A304 A305 F306 I317 I318 L321 L390 L393 | G298-V302 WeakPolarHBondContact O-CG2 3.32Å; G298-V302 PolarHBondContact O-N 3.45Å; L299-V302 PolarHBondContact O-N 2.86Å; V302-A304 PolarHBondContact O-N 3.4Å; V302-A305 WeakPolarHBondContact O-CB 3.44Å; V302-A305 PolarHBondContact O-N 2.85Å; V302-F306 WeakPolarHBondContact O-CB 3.47Å; V302-F306 PolarHBondContact O-N 3.4Å; V302-I317 HydrophobicContact CB-CG2 4.46Å; V302-I317 HydrophobicContact CG2-CB 3.77Å; V302-I317 HydrophobicContact CG2-CG2 3.24Å; V302-I318 HydrophobicContact CB-CG1 4.4Å; V302-I318 HydrophobicContact CG1-CD1 3.68Å; V302-I318 HydrophobicContact CG1-CG1 3.38Å; V302-I318 HydrophobicContact CG2-CG1 3.99Å; V302-L321 HydrophobicContact CG2-CD1 3.66Å; V302-L390 HydrophobicContact CG2-CD2 4.39Å; V302-L393 HydrophobicContact CB-CD2 4.22Å; V302-L393 HydrophobicContact CG1-CD2 3.37Å; V302-L393 HydrophobicContact CG1-CG 4.12Å |
| 303 | L | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 177.9 | -73 | -179.5 | 0 | 0 | 0 | 112.9 | F163 L164 F168 F171 L299 L300 Y301 A305 F306 K307 W389 L393 | F163-L303 HydrophobicContact CE1-CD1 3.92Å; L164-L303 HydrophobicContact CD2-CD1 3.63Å; F168-L303 HydrophobicContact CD2-CD2 3.49Å; F168-L303 VanDerWaalsContact CD2-CD2 3.49Å; F168-L303 HydrophobicContact CE2-CD2 3.37Å; F171-L303 HydrophobicContact CD1-CD1 4.49Å; F171-L303 HydrophobicContact CD1-CD2 4.13Å; F171-L303 HydrophobicContact CE1-CB 4.01Å; F171-L303 HydrophobicContact CE1-CD1 4.45Å; F171-L303 HydrophobicContact CE1-CD2 4.21Å; F171-L303 HydrophobicContact CE1-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CG 3.14Å; L299-L303 PolarHBondContact O-N 3.04Å; L300-L303 HydrophobicContact CD2-CD1 4.37Å; L300-L303 PolarHBondContact O-N 3.21Å; Y301-L303 VanDerWaalsContact C-N 3.31Å; Y301-L303 PolarHBondContact O-N 2.98Å; L303-A305 VanDerWaalsContact C-N 3.32Å; L303-F306 PolarHBondContact O-N 2.67Å; L303-K307 WeakPolarHBondContact O-CB 3.46Å; L303-K307 PolarHBondContact O-N 3.23Å; L303-W389 HydrophobicContact CD1-CH2 4.21Å; L303-W389 HydrophobicContact CD1-CZ2 4.01Å; L303-W389 HydrophobicContact CD2-CH2 3.72Å; L303-W389 HydrophobicContact CD2-CZ2 3.68Å; L303-W389 HydrophobicContact CG-CH2 3.74Å; L303-W389 HydrophobicContact CG-CZ2 3.92Å; L303-L393 HydrophobicContact CD2-CD2 3.96Å |
| 304 | A | 84.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L237 W266 I269 L300 Y301 V302 F306 K307 L308 | L237-A304 HydrophobicContact CD1-CB 4.24Å; L237-A304 HydrophobicContact CD2-CB 3.78Å; W266-A304 HydrophobicContact CZ3-CB 4.36Å; I269-A304 HydrophobicContact CD1-CB 4.01Å; I269-A304 HydrophobicContact CG2-CB 3.97Å; L300-A304 PolarHBondContact O-N 2.95Å; Y301-A304 PolarHBondContact O-N 3.01Å; V302-A304 PolarHBondContact O-N 3.4Å; A304-F306 PolarHBondContact O-N 3.3Å; A304-K307 PolarHBondContact O-N 3.3Å; A304-L308 VanDerWaalsContact O-CB 3.3Å; A304-L308 WeakPolarHBondContact O-CB 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.43Å; A304-L308 PolarHBondContact O-N 3.45Å |
| 305 | A | 85 | Confident | 85 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | W266 Y301 V302 L303 Y309 Q310 C314 I317 | W266-A305 HydrophobicContact CH2-CB 3.52Å; W266-A305 VanDerWaalsContact CZ3-CA 3.4Å; W266-A305 HydrophobicContact CZ3-CB 3.63Å; Y301-A305 PolarHBondContact O-N 3.46Å; V302-A305 WeakPolarHBondContact O-CB 3.44Å; V302-A305 PolarHBondContact O-N 2.85Å; L303-A305 VanDerWaalsContact C-N 3.32Å; A305-Y309 PolarHBondContact O-N 2.73Å; A305-Q310 HydrophobicContact CB-CB 4.37Å; A305-Q310 PolarHBondContact O-N 3.04Å; A305-C314 HydrophobicContact CB-CB 3.79Å; A305-I317 HydrophobicContact CB-CD1 4.25Å |
| 306 | F | 86.8 | Confident | 85 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 178.6 | 174.4 | -103 | 0 | 0 | 0 | 112 | M172 V302 L303 A304 Y309 L393 A396 N397 N400 | M172-F306 HydrophobicContact CB-CE1 4.26Å; M172-F306 HydrophobicContact CG-CE1 4.16Å; V302-F306 WeakPolarHBondContact O-CB 3.47Å; V302-F306 PolarHBondContact O-N 3.4Å; L303-F306 PolarHBondContact O-N 2.67Å; A304-F306 PolarHBondContact O-N 3.3Å; F306-Y309 PolarHBondContact O-N 3.19Å; F306-Y309 VanDerWaalsContact O-N 3.16Å; F306-L393 HydrophobicContact CB-CD1 4.04Å; F306-L393 HydrophobicContact CD1-CD1 3.78Å; F306-L393 HydrophobicContact CD2-CD1 3.71Å; F306-L393 HydrophobicContact CE1-CD1 4.13Å; F306-L393 HydrophobicContact CE2-CD1 4.06Å; F306-L393 HydrophobicContact CG-CD1 3.55Å; F306-L393 HydrophobicContact CZ-CD1 4.25Å; F306-A396 HydrophobicContact CE2-CB 3.72Å; F306-A396 HydrophobicContact CZ-CB 3.83Å; F306-N397 HydrophobicContact CD2-CB 4.04Å; F306-N397 HydrophobicContact CE2-CB 4.33Å; F306-N400 WeakPolarHBondContact CE2-ND2 3.41Å; F306-N400 VanDerWaalsContact CZ-ND2 3.26Å; F306-N400 WeakPolarHBondContact CZ-ND2 3.12Å |
| 307 | K | 82.3 | Confident | 84.9 | Confident | 27 Ų | 27 | 21.5 Ų | 21.5 | 12% | 0.117 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.4 | -27.1 | -179.2 | -84.8 | -57.8 | -163.9 | -174.1 | 0 | 114.7 | F171 M172 F241 L303 A304 Y309 | F171-K307 HydrophobicContact CD1-CG 4.23Å; F171-K307 HydrophobicContact CE1-CB 4.46Å; F171-K307 HydrophobicContact CE1-CD 4.44Å; F171-K307 HydrophobicContact CE1-CG 3.41Å; F171-K307 VanDerWaalsContact CE1-CG 3.41Å; F171-K307 HydrophobicContact CZ-CB 4.45Å; F171-K307 HydrophobicContact CZ-CG 3.61Å; F171-K307 WeakPolarHBondContact O-CE 3.4Å; F171-K307 PolarHBondContact O-NZ 3.26Å; M172-K307 PolarHBondContact O-NZ 3.16Å; F241-K307 HydrophobicContact CD1-CB 3.94Å; F241-K307 HydrophobicContact CD1-CD 4.12Å; F241-K307 HydrophobicContact CD1-CG 4.2Å; F241-K307 HydrophobicContact CD2-CB 3.92Å; F241-K307 HydrophobicContact CD2-CG 4.17Å; F241-K307 HydrophobicContact CE1-CB 3.7Å; F241-K307 HydrophobicContact CE1-CG 4.45Å; F241-K307 HydrophobicContact CE2-CB 3.68Å; F241-K307 HydrophobicContact CE2-CG 4.43Å; F241-K307 HydrophobicContact CG-CB 4.06Å; F241-K307 HydrophobicContact CG-CD 4.31Å; F241-K307 HydrophobicContact CG-CG 4.06Å; F241-K307 HydrophobicContact CZ-CB 3.58Å; L303-K307 WeakPolarHBondContact O-CB 3.46Å; L303-K307 PolarHBondContact O-N 3.23Å; A304-K307 PolarHBondContact O-N 3.3Å; K307-Y309 PolarHBondContact O-N 3.21Å |
| 308 | L | 80.3 | Confident | 85 | Confident | 14 Ų | 14 | 21.5 Ų | 21.5 | 7% | 0.073 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 9.6 | 171.3 | -68 | 166.1 | 0 | 0 | 0 | 112.5 | F241 L265 W266 I269 A304 Q310 | F241-L308 HydrophobicContact CZ-CD2 3.78Å; F241-L308 HydrophobicContact CZ-CG 3.92Å; L265-L308 HydrophobicContact CD2-CD2 4.14Å; W266-L308 HydrophobicContact CB-CD1 4.01Å; W266-L308 HydrophobicContact CD2-CD1 4.5Å; W266-L308 HydrophobicContact CE3-CD1 3.74Å; I269-L308 HydrophobicContact CD1-CD1 3.94Å; A304-L308 VanDerWaalsContact O-CB 3.3Å; A304-L308 WeakPolarHBondContact O-CB 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.43Å; A304-L308 PolarHBondContact O-N 3.45Å; L308-Q310 HydrophobicContact CB-CG 4.14Å; L308-Q310 PolarHBondContact O-N 3.22Å; L308-Q310 VanDerWaalsContact O-N 3.11Å |
| 309 | Y | 81.5 | Confident | 84.9 | Confident | 22 Ų | 22 | 25.3 Ų | 25.3 | 9% | 0.086 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 29.3 | -179.8 | -56.6 | -69.7 | 0 | 0 | 0 | 114 | A305 F306 K307 F311 T526 D566 C568 Y569 | A305-Y309 PolarHBondContact O-N 2.73Å; F306-Y309 PolarHBondContact O-N 3.19Å; F306-Y309 VanDerWaalsContact O-N 3.16Å; K307-Y309 PolarHBondContact O-N 3.21Å; Y309-F311 HydrophobicContact CD1-CE1 4.06Å; Y309-F311 AromaticContact CD1-CZ 3.82Å; Y309-F311 HydrophobicContact CD1-CZ 3.82Å; Y309-F311 HydrophobicContact CG-CZ 4.24Å; Y309-F311 WeakPolarHBondContact O-CD2 3.36Å; Y309-F311 VanDerWaalsContact O-CE2 3.32Å; Y309-F311 WeakPolarHBondContact O-CE2 3.2Å; Y309-F311 PolarHBondContact O-N 3.08Å; Y309-T526 PolarHBondContact OH-OG1 3.44Å; Y309-D566 WeakPolarHBondContact CE2-OD2 3.48Å; Y309-D566 PolarHBondContact OH-OD2 2.88Å; Y309-D566 VanDerWaalsContact OH-OD2 3.08Å; Y309-C568 HydrophobicContact CD2-CB 3.87Å; Y309-C568 WeakPolarHBondContact CD2-O 3.24Å; Y309-C568 HydrophobicContact CE2-CB 4.05Å; Y309-Y569 AromaticContact CD1-CD2 3.7Å; Y309-Y569 HydrophobicContact CD1-CD2 3.7Å; Y309-Y569 HydrophobicContact CD1-CE2 4.17Å; Y309-Y569 HydrophobicContact CD2-CD2 4.44Å; Y309-Y569 AromaticContact CE1-CD2 3.31Å; Y309-Y569 HydrophobicContact CE1-CD2 3.31Å; Y309-Y569 AromaticContact CE1-CE2 3.87Å; Y309-Y569 HydrophobicContact CE1-CE2 3.87Å; Y309-Y569 HydrophobicContact CE1-CG 4.2Å; Y309-Y569 HydrophobicContact CE2-CD2 4.11Å; Y309-Y569 HydrophobicContact CE2-CG 4.43Å; Y309-Y569 HydrophobicContact CG-CD2 4.24Å; Y309-Y569 AromaticContact CZ-CD2 3.53Å; Y309-Y569 AromaticContact CZ-CG 3.97Å |
| 310 | Q | 82.2 | Confident | 84.7 | Confident | 73 Ų | 73 | 27.1 Ų | 27.1 | 34% | 0.341 | 14% | 0.141 | S | C | . | . | trans | -81.8 | 68.6 | 174 | -62 | -60.3 | -35.6 | 0 | 0 | 109.8 | W266 A305 L308 N312 S313 C314 | W266-Q310 HydrophobicContact CD2-CG 3.78Å; W266-Q310 HydrophobicContact CE3-CG 4.12Å; W266-Q310 HydrophobicContact CG-CG 4.06Å; W266-Q310 HydrophobicContact CZ2-CB 4.38Å; W266-Q310 HydrophobicContact CZ2-CG 4.39Å; A305-Q310 HydrophobicContact CB-CB 4.37Å; A305-Q310 PolarHBondContact O-N 3.04Å; L308-Q310 HydrophobicContact CB-CG 4.14Å; L308-Q310 PolarHBondContact O-N 3.22Å; L308-Q310 VanDerWaalsContact O-N 3.11Å; Q310-N312 VanDerWaalsContact C-N 3.33Å; Q310-N312 PolarHBondContact O-N 3.21Å; Q310-S313 PolarHBondContact O-N 3.26Å; Q310-C314 VanDerWaalsContact O-CB 3.23Å; Q310-C314 WeakPolarHBondContact O-CB 3.13Å; Q310-C314 PolarHBondContact O-N 3.31Å | ||
| 311 | F | 83.2 | Confident | 84.7 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.6 | -41.4 | -167.9 | -55.8 | -71.7 | 0 | 0 | 0 | 113.8 | Y309 S315 N397 N400 S401 Y570 M600 | Y309-F311 HydrophobicContact CD1-CE1 4.06Å; Y309-F311 AromaticContact CD1-CZ 3.82Å; Y309-F311 HydrophobicContact CD1-CZ 3.82Å; Y309-F311 HydrophobicContact CG-CZ 4.24Å; Y309-F311 WeakPolarHBondContact O-CD2 3.36Å; Y309-F311 VanDerWaalsContact O-CE2 3.32Å; Y309-F311 WeakPolarHBondContact O-CE2 3.2Å; Y309-F311 PolarHBondContact O-N 3.08Å; F311-S315 WeakPolarHBondContact O-CB 3.5Å; F311-S315 PolarHBondContact O-N 3.48Å; F311-N397 VanDerWaalsContact CD1-OD1 3.28Å; F311-N397 WeakPolarHBondContact CD1-OD1 2.94Å; F311-N397 PolarHBondContact O-ND2 3.34Å; F311-N400 HydrophobicContact CE1-CB 3.87Å; F311-S401 VanDerWaalsContact CD1-CB 3.5Å; F311-Y570 AromaticContact CE2-CD1 3.88Å; F311-Y570 HydrophobicContact CE2-CD1 3.88Å; F311-Y570 AromaticContact CE2-CE1 3.49Å; F311-Y570 HydrophobicContact CE2-CE1 3.49Å; F311-Y570 VanDerWaalsContact CE2-CE1 3.49Å; F311-Y570 HydrophobicContact CZ-CD1 4.27Å; F311-Y570 AromaticContact CZ-CE1 3.87Å; F311-Y570 HydrophobicContact CZ-CE1 3.87Å; F311-M600 HydrophobicContact CD2-CE 3.7Å; F311-M600 HydrophobicContact CD2-SD 4.32Å; F311-M600 HydrophobicContact CE2-CE 4.32Å; F311-M600 HydrophobicContact CE2-SD 4.36Å |
| 312 | N | 81.7 | Confident | 84.5 | Confident | 109 Ų | 109 | 27.8 Ų | 27.8 | 58% | 0.583 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -68 | -52.7 | -179.2 | -70.5 | -10.4 | 0 | 0 | 0 | 110.9 | Q310 C314 S315 E316 | Q310-N312 VanDerWaalsContact C-N 3.33Å; Q310-N312 PolarHBondContact O-N 3.21Å; N312-C314 VanDerWaalsContact C-N 3.27Å; N312-C314 PolarHBondContact O-N 2.92Å; N312-S315 WeakPolarHBondContact O-CB 3.42Å; N312-S315 PolarHBondContact O-N 3.23Å; N312-S315 PolarHBondContact O-OG 3.29Å; N312-E316 WeakPolarHBondContact O-CG 3.45Å; N312-E316 PolarHBondContact O-N 2.99Å |
| 313 | S | 81.6 | Confident | 84.2 | Confident | 34 Ų | 34 | 30.1 Ų | 30.1 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | Q310 S315 E316 I317 | Q310-S313 PolarHBondContact O-N 3.26Å; S313-S315 VanDerWaalsContact C-N 3.35Å; S313-S315 PolarHBondContact O-N 2.94Å; S313-E316 PolarHBondContact O-N 3.48Å; S313-I317 WeakPolarHBondContact O-CB 3.3Å; S313-I317 VanDerWaalsContact O-CD1 3.24Å; S313-I317 WeakPolarHBondContact O-CD1 3.44Å; S313-I317 WeakPolarHBondContact O-CG1 3.46Å; S313-I317 PolarHBondContact O-N 3.16Å |
| 314 | C | 86.4 | Confident | 84 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 174.2 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | A305 Q310 N312 I318 | A305-C314 HydrophobicContact CB-CB 3.79Å; Q310-C314 VanDerWaalsContact O-CB 3.23Å; Q310-C314 WeakPolarHBondContact O-CB 3.13Å; Q310-C314 PolarHBondContact O-N 3.31Å; N312-C314 VanDerWaalsContact C-N 3.27Å; N312-C314 PolarHBondContact O-N 2.92Å; C314-I318 WeakPolarHBondContact O-CB 3.49Å; C314-I318 WeakPolarHBondContact O-CD1 3.47Å; C314-I318 WeakPolarHBondContact O-CG1 3.29Å; C314-I318 PolarHBondContact O-N 3.27Å |
| 315 | S | 84.1 | Confident | 83.8 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.6 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | F311 N312 S313 I318 N319 | F311-S315 WeakPolarHBondContact O-CB 3.5Å; F311-S315 PolarHBondContact O-N 3.48Å; N312-S315 WeakPolarHBondContact O-CB 3.42Å; N312-S315 PolarHBondContact O-N 3.23Å; N312-S315 PolarHBondContact O-OG 3.29Å; S313-S315 VanDerWaalsContact C-N 3.35Å; S313-S315 PolarHBondContact O-N 2.94Å; S315-I318 PolarHBondContact O-N 3.44Å; S315-N319 WeakPolarHBondContact O-CB 3.23Å; S315-N319 VanDerWaalsContact O-CG 3.31Å; S315-N319 PolarHBondContact O-N 2.98Å; S315-N319 PolarHBondContact O-ND2 3.42Å; S315-N319 VanDerWaalsContact O-ND2 3.14Å |
| 316 | E | 84.5 | Confident | 83.5 | Confident | 121 Ų | 121 | 34.6 Ų | 34.6 | 57% | 0.565 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.7 | -49.6 | 178.3 | -72.1 | -179.5 | 175.1 | 0 | 0 | 111 | N312 S313 I318 N319 T320 | N312-E316 WeakPolarHBondContact O-CG 3.45Å; N312-E316 PolarHBondContact O-N 2.99Å; S313-E316 PolarHBondContact O-N 3.48Å; E316-I318 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 3.2Å; E316-N319 PolarHBondContact O-N 3.45Å; E316-T320 WeakPolarHBondContact O-CG2 3.5Å; E316-T320 PolarHBondContact O-N 3.42Å |
| 317 | I | 86.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | -179.5 | -57.7 | 157.1 | 0 | 0 | 0 | 109.9 | W266 F284 Y301 V302 A305 S313 N319 T320 L321 | W266-I317 HydrophobicContact CH2-CD1 4.44Å; F284-I317 HydrophobicContact CD1-CG2 4.42Å; F284-I317 HydrophobicContact CE1-CG2 3.76Å; F284-I317 HydrophobicContact CZ-CG2 4.32Å; Y301-I317 HydrophobicContact CD1-CD1 3.47Å; Y301-I317 VanDerWaalsContact CD1-CD1 3.47Å; Y301-I317 HydrophobicContact CD1-CG1 3.91Å; Y301-I317 HydrophobicContact CD1-CG2 4.01Å; Y301-I317 HydrophobicContact CD2-CD1 4.07Å; Y301-I317 HydrophobicContact CE1-CD1 3.4Å; Y301-I317 HydrophobicContact CE1-CG1 3.82Å; Y301-I317 HydrophobicContact CE2-CD1 4.04Å; Y301-I317 HydrophobicContact CG-CD1 3.81Å; V302-I317 HydrophobicContact CB-CG2 4.46Å; V302-I317 HydrophobicContact CG2-CB 3.77Å; V302-I317 HydrophobicContact CG2-CG2 3.24Å; A305-I317 HydrophobicContact CB-CD1 4.25Å; S313-I317 WeakPolarHBondContact O-CB 3.3Å; S313-I317 VanDerWaalsContact O-CD1 3.24Å; S313-I317 WeakPolarHBondContact O-CD1 3.44Å; S313-I317 WeakPolarHBondContact O-CG1 3.46Å; S313-I317 PolarHBondContact O-N 3.16Å; I317-N319 PolarHBondContact O-N 2.69Å; I317-T320 PolarHBondContact O-N 2.92Å; I317-T320 PolarHBondContact O-OG1 3.26Å; I317-L321 HydrophobicContact CG2-CD1 4.21Å; I317-L321 PolarHBondContact O-N 3Å |
| 318 | I | 87.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 175.3 | -74.2 | 168.3 | 0 | 0 | 0 | 111.3 | V302 C314 S315 E316 T320 L321 I322 L390 L393 Y394 | V302-I318 HydrophobicContact CB-CG1 4.4Å; V302-I318 HydrophobicContact CG1-CD1 3.68Å; V302-I318 HydrophobicContact CG1-CG1 3.38Å; V302-I318 HydrophobicContact CG2-CG1 3.99Å; C314-I318 WeakPolarHBondContact O-CB 3.49Å; C314-I318 WeakPolarHBondContact O-CD1 3.47Å; C314-I318 WeakPolarHBondContact O-CG1 3.29Å; C314-I318 PolarHBondContact O-N 3.27Å; S315-I318 PolarHBondContact O-N 3.44Å; E316-I318 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 3.2Å; I318-T320 VanDerWaalsContact C-N 3.3Å; I318-T320 PolarHBondContact O-N 2.89Å; I318-L321 PolarHBondContact O-N 3.39Å; I318-L321 VanDerWaalsContact O-N 3.15Å; I318-I322 HydrophobicContact CG2-CD1 3.48Å; I318-I322 VanDerWaalsContact CG2-CD1 3.48Å; I318-I322 HydrophobicContact CG2-CG1 4.08Å; I318-I322 WeakPolarHBondContact O-CG1 3.31Å; I318-I322 PolarHBondContact O-N 3.17Å; I318-L390 HydrophobicContact CG1-CD2 4.2Å; I318-L390 HydrophobicContact CG2-CB 4.44Å; I318-L393 HydrophobicContact CD1-CB 4.48Å; I318-L393 HydrophobicContact CD1-CG 4.31Å; I318-Y394 HydrophobicContact CB-CD2 4.27Å; I318-Y394 HydrophobicContact CD1-CD2 3.97Å; I318-Y394 HydrophobicContact CG2-CD2 3.87Å; I318-Y394 HydrophobicContact CG2-CG 4.21Å |
| 319 | N | 85.3 | Confident | 82.4 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.3 | -39.2 | -178.9 | -76 | -33.7 | 0 | 0 | 0 | 111.6 | S315 E316 I317 L321 S323 | S315-N319 WeakPolarHBondContact O-CB 3.23Å; S315-N319 VanDerWaalsContact O-CG 3.31Å; S315-N319 PolarHBondContact O-N 2.98Å; S315-N319 PolarHBondContact O-ND2 3.42Å; S315-N319 VanDerWaalsContact O-ND2 3.14Å; E316-N319 PolarHBondContact O-N 3.45Å; I317-N319 PolarHBondContact O-N 2.69Å; N319-L321 PolarHBondContact O-N 3.41Å; N319-S323 VanDerWaalsContact O-CB 3.24Å; N319-S323 WeakPolarHBondContact O-CB 3.44Å; N319-S323 PolarHBondContact O-N 3.46Å; N319-S323 PolarHBondContact O-OG 3.37Å |
| 320 | T | 85.1 | Confident | 82 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 174.2 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | E316 I317 I318 S323 F324 | E316-T320 WeakPolarHBondContact O-CG2 3.5Å; E316-T320 PolarHBondContact O-N 3.42Å; I317-T320 PolarHBondContact O-N 2.92Å; I317-T320 PolarHBondContact O-OG1 3.26Å; I318-T320 VanDerWaalsContact C-N 3.3Å; I318-T320 PolarHBondContact O-N 2.89Å; T320-S323 PolarHBondContact O-OG 3.36Å; T320-F324 WeakPolarHBondContact O-CB 3.45Å; T320-F324 PolarHBondContact O-N 2.97Å; T320-F324 VanDerWaalsContact O-N 3.11Å |
| 321 | L | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.6 | -45.9 | 179.2 | -73.5 | 170.9 | 0 | 0 | 0 | 113.2 | F284 I293 L295 L299 V302 I317 I318 N319 S323 F324 I325 L390 | F284-L321 HydrophobicContact CE2-CD2 4.27Å; F284-L321 HydrophobicContact CZ-CD1 4.47Å; F284-L321 HydrophobicContact CZ-CD2 3.71Å; F284-L321 HydrophobicContact CZ-CG 3.97Å; I293-L321 HydrophobicContact CG2-CD2 3.92Å; L295-L321 HydrophobicContact CD2-CD2 3.95Å; L299-L321 HydrophobicContact CD2-CD1 4.41Å; V302-L321 HydrophobicContact CG2-CD1 3.66Å; I317-L321 HydrophobicContact CG2-CD1 4.21Å; I317-L321 PolarHBondContact O-N 3Å; I318-L321 PolarHBondContact O-N 3.39Å; I318-L321 VanDerWaalsContact O-N 3.15Å; N319-L321 PolarHBondContact O-N 3.41Å; L321-S323 VanDerWaalsContact C-N 3.33Å; L321-S323 PolarHBondContact O-N 3.48Å; L321-F324 PolarHBondContact O-N 2.86Å; L321-I325 WeakPolarHBondContact O-CG1 3.41Å; L321-I325 PolarHBondContact O-N 3.05Å; L321-L390 HydrophobicContact CB-CD1 3.55Å; L321-L390 HydrophobicContact CB-CD2 4.16Å; L321-L390 HydrophobicContact CD1-CD1 4.43Å; L321-L390 HydrophobicContact CD1-CD2 3.79Å |
| 322 | I | 83.9 | Confident | 80.9 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 176.5 | -69.2 | 175.4 | 0 | 0 | 0 | 109.6 | I318 F324 I325 D326 L390 R391 | I318-I322 HydrophobicContact CG2-CD1 3.48Å; I318-I322 VanDerWaalsContact CG2-CD1 3.48Å; I318-I322 HydrophobicContact CG2-CG1 4.08Å; I318-I322 WeakPolarHBondContact O-CG1 3.31Å; I318-I322 PolarHBondContact O-N 3.17Å; I322-F324 VanDerWaalsContact C-N 3.26Å; I322-F324 PolarHBondContact O-N 3.07Å; I322-I325 PolarHBondContact O-N 3.14Å; I322-D326 WeakPolarHBondContact O-CB 3.31Å; I322-D326 PolarHBondContact O-N 3.44Å; I322-L390 HydrophobicContact CD1-CB 4.15Å; I322-L390 HydrophobicContact CG1-CB 3.82Å; I322-L390 HydrophobicContact CG1-CD1 4.05Å; I322-R391 HydrophobicContact CD1-CG 3.75Å |
| 323 | S | 82.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -35.5 | 179.9 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | N319 T320 L321 R327 | N319-S323 VanDerWaalsContact O-CB 3.24Å; N319-S323 WeakPolarHBondContact O-CB 3.44Å; N319-S323 PolarHBondContact O-N 3.46Å; N319-S323 PolarHBondContact O-OG 3.37Å; T320-S323 PolarHBondContact O-OG 3.36Å; L321-S323 VanDerWaalsContact C-N 3.33Å; L321-S323 PolarHBondContact O-N 3.48Å; S323-R327 WeakPolarHBondContact O-CD 3.44Å; S323-R327 WeakPolarHBondContact O-CG 3.45Å; S323-R327 PolarHBondContact O-N 2.85Å |
| 324 | F | 83.2 | Confident | 79.5 | Confident | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -43.3 | 176.9 | 178.8 | -95.5 | 0 | 0 | 0 | 112.2 | I293 L295 T320 L321 I322 R327 N328 F332 C361 | I293-F324 HydrophobicContact CB-CD1 4.14Å; I293-F324 HydrophobicContact CB-CD2 4.33Å; I293-F324 HydrophobicContact CB-CE1 3.89Å; I293-F324 HydrophobicContact CB-CE2 4.08Å; I293-F324 HydrophobicContact CB-CG 4.35Å; I293-F324 HydrophobicContact CB-CZ 3.85Å; I293-F324 HydrophobicContact CD1-CB 3.5Å; I293-F324 VanDerWaalsContact CD1-CB 3.5Å; I293-F324 HydrophobicContact CD1-CD1 3.87Å; I293-F324 HydrophobicContact CD1-CD2 3.37Å; I293-F324 HydrophobicContact CD1-CE1 4.41Å; I293-F324 HydrophobicContact CD1-CE2 3.97Å; I293-F324 HydrophobicContact CD1-CG 3.3Å; I293-F324 HydrophobicContact CD1-CZ 4.45Å; I293-F324 HydrophobicContact CG1-CD1 4.28Å; I293-F324 HydrophobicContact CG1-CD2 3.7Å; I293-F324 HydrophobicContact CG1-CE1 4.33Å; I293-F324 HydrophobicContact CG1-CE2 3.74Å; I293-F324 HydrophobicContact CG1-CG 3.98Å; I293-F324 HydrophobicContact CG1-CZ 4.06Å; L295-F324 HydrophobicContact CD2-CD1 4.38Å; T320-F324 WeakPolarHBondContact O-CB 3.45Å; T320-F324 PolarHBondContact O-N 2.97Å; T320-F324 VanDerWaalsContact O-N 3.11Å; L321-F324 PolarHBondContact O-N 2.86Å; I322-F324 VanDerWaalsContact C-N 3.26Å; I322-F324 PolarHBondContact O-N 3.07Å; F324-R327 PolarHBondContact O-N 3.13Å; F324-N328 WeakPolarHBondContact CD2-ND2 3.38Å; F324-N328 WeakPolarHBondContact CE2-ND2 3.44Å; F324-N328 VanDerWaalsContact CZ-ND2 3.29Å; F324-N328 WeakPolarHBondContact CZ-ND2 3.47Å; F324-N328 PolarHBondContact O-N 3.42Å; F324-N328 PolarHBondContact O-ND2 3.2Å; F324-F332 HydrophobicContact CE1-CE2 4.37Å; F324-F332 HydrophobicContact CE1-CZ 4.07Å; F324-F332 HydrophobicContact CZ-CZ 4.43Å; F324-C361 HydrophobicContact CE1-CB 4.18Å; F324-C361 HydrophobicContact CZ-CB 4.19Å |
| 325 | I | 79.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 178.6 | -67.5 | 168.8 | 0 | 0 | 0 | 110 | L295 L321 I322 R327 N328 C329 I386 N387 L390 | L295-I325 HydrophobicContact CD2-CD1 4.17Å; L295-I325 HydrophobicContact CD2-CG1 4.11Å; L321-I325 WeakPolarHBondContact O-CG1 3.41Å; L321-I325 PolarHBondContact O-N 3.05Å; I322-I325 PolarHBondContact O-N 3.14Å; I325-R327 PolarHBondContact O-N 2.93Å; I325-N328 PolarHBondContact O-N 3.08Å; I325-C329 HydrophobicContact CG2-CB 4.3Å; I325-C329 WeakPolarHBondContact O-CA 3.26Å; I325-C329 WeakPolarHBondContact O-CB 3.38Å; I325-C329 PolarHBondContact O-N 3.39Å; I325-I386 HydrophobicContact CD1-CB 4.34Å; I325-I386 HydrophobicContact CD1-CG2 3.68Å; I325-N387 HydrophobicContact CG2-CB 4.09Å; I325-L390 HydrophobicContact CD1-CD1 3.68Å |
| 326 | D | 78.7 | Confident | 77.7 | Confident | 83 Ų | 83 | 46.7 Ų | 46.7 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.2 | -36 | 179.5 | -77.8 | -15.7 | 0 | 0 | 0 | 111.9 | I322 N387 R391 | I322-D326 WeakPolarHBondContact O-CB 3.31Å; I322-D326 PolarHBondContact O-N 3.44Å; D326-N387 PolarHBondContact OD1-ND2 2.92Å; D326-R391 IonicContact OD2-NH2 3.46Å |
| 327 | R | 79.3 | Confident | 76.9 | Confident | 199 Ų | 199 | 44.1 Ų | 44.1 | 75% | 0.751 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.3 | -35.8 | 175.6 | -73.8 | 172.3 | -174.4 | -175.6 | 3.6 | 113.7 | S323 F324 I325 | S323-R327 WeakPolarHBondContact O-CD 3.44Å; S323-R327 WeakPolarHBondContact O-CG 3.45Å; S323-R327 PolarHBondContact O-N 2.85Å; F324-R327 PolarHBondContact O-N 3.13Å; I325-R327 PolarHBondContact O-N 2.93Å |
| 328 | N | 77.3 | Confident | 76 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -112 | -7.9 | -167.4 | -65.1 | -34.6 | 0 | 0 | 0 | 114.8 | F324 I325 T330 Q331 F332 | F324-N328 WeakPolarHBondContact CD2-ND2 3.38Å; F324-N328 WeakPolarHBondContact CE2-ND2 3.44Å; F324-N328 VanDerWaalsContact CZ-ND2 3.29Å; F324-N328 WeakPolarHBondContact CZ-ND2 3.47Å; F324-N328 PolarHBondContact O-N 3.42Å; F324-N328 PolarHBondContact O-ND2 3.2Å; I325-N328 PolarHBondContact O-N 3.08Å; N328-T330 VanDerWaalsContact C-N 3.31Å; N328-T330 PolarHBondContact O-N 2.98Å; N328-Q331 WeakPolarHBondContact O-CB 3.16Å; N328-Q331 PolarHBondContact O-N 3.43Å; N328-F332 HydrophobicContact CB-CD2 4.08Å; N328-F332 HydrophobicContact CB-CE1 4.15Å; N328-F332 HydrophobicContact CB-CE2 3.39Å; N328-F332 HydrophobicContact CB-CZ 3.43Å; N328-F332 VanDerWaalsContact CB-CZ 3.43Å; N328-F332 WeakPolarHBondContact O-CD2 3.21Å; N328-F332 WeakPolarHBondContact O-CG 3.46Å; N328-F332 PolarHBondContact O-N 2.79Å |
| 329 | C | 71.2 | Confident | 75 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 14% | 0.135 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -38.1 | -172.2 | -177.6 | 0 | 0 | 0 | 0 | 113.5 | I325 F332 Y333 N381 | I325-C329 HydrophobicContact CG2-CB 4.3Å; I325-C329 WeakPolarHBondContact O-CA 3.26Å; I325-C329 WeakPolarHBondContact O-CB 3.38Å; I325-C329 PolarHBondContact O-N 3.39Å; C329-F332 PolarHBondContact O-N 3.22Å; C329-Y333 WeakPolarHBondContact O-CB 3.47Å; C329-Y333 PolarHBondContact O-N 3.1Å; C329-N381 PolarHBondContact SG-ND2 2.91Å |
| 330 | T | 71.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 41.1 Ų | 41.1 | 64% | 0.644 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.7 | -40.1 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | N328 T334 | N328-T330 VanDerWaalsContact C-N 3.31Å; N328-T330 PolarHBondContact O-N 2.98Å; T330-T334 WeakPolarHBondContact O-CB 3.34Å; T330-T334 VanDerWaalsContact O-CG2 3.3Å; T330-T334 WeakPolarHBondContact O-CG2 3.5Å; T330-T334 PolarHBondContact O-N 2.91Å; T330-T334 PolarHBondContact O-OG1 2.67Å |
| 331 | Q | 72.4 | Confident | 73.3 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.2 | -173.3 | 179.4 | 8.9 | 0 | 0 | 111.2 | N328 T334 E335 T359 | N328-Q331 WeakPolarHBondContact O-CB 3.16Å; N328-Q331 PolarHBondContact O-N 3.43Å; Q331-T334 WeakPolarHBondContact CA-OG1 3.25Å; Q331-T334 PolarHBondContact O-OG1 2.73Å; Q331-E335 WeakPolarHBondContact O-CB 3.24Å; Q331-E335 PolarHBondContact O-N 2.84Å; Q331-E335 VanDerWaalsContact O-N 3.12Å; Q331-T359 PolarHBondContact OE1-OG1 2.77Å |
| 332 | F | 70.1 | Confident | 72.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 178.2 | -58.9 | -37.8 | 0 | 0 | 0 | 112.7 | F324 N328 C329 E335 S336 C361 Y383 | F324-F332 HydrophobicContact CE1-CE2 4.37Å; F324-F332 HydrophobicContact CE1-CZ 4.07Å; F324-F332 HydrophobicContact CZ-CZ 4.43Å; N328-F332 HydrophobicContact CB-CD2 4.08Å; N328-F332 HydrophobicContact CB-CE1 4.15Å; N328-F332 HydrophobicContact CB-CE2 3.39Å; N328-F332 HydrophobicContact CB-CZ 3.43Å; N328-F332 VanDerWaalsContact CB-CZ 3.43Å; N328-F332 WeakPolarHBondContact O-CD2 3.21Å; N328-F332 WeakPolarHBondContact O-CG 3.46Å; N328-F332 PolarHBondContact O-N 2.79Å; C329-F332 PolarHBondContact O-N 3.22Å; F332-E335 PolarHBondContact O-N 3.16Å; F332-S336 PolarHBondContact O-N 3.48Å; F332-S336 PolarHBondContact O-OG 3.04Å; F332-C361 HydrophobicContact CE1-CB 3.63Å; F332-C361 HydrophobicContact CE2-CB 4.45Å; F332-C361 HydrophobicContact CZ-CB 3.44Å; F332-C361 VanDerWaalsContact CZ-CB 3.44Å; F332-Y383 HydrophobicContact CB-CD2 3.5Å; F332-Y383 VanDerWaalsContact CB-CD2 3.5Å; F332-Y383 HydrophobicContact CB-CE2 3.36Å; F332-Y383 HydrophobicContact CB-CG 4.21Å; F332-Y383 AromaticContact CD2-CD1 3.68Å; F332-Y383 HydrophobicContact CD2-CD1 3.68Å; F332-Y383 AromaticContact CD2-CD2 3.92Å; F332-Y383 HydrophobicContact CD2-CD2 3.92Å; F332-Y383 AromaticContact CD2-CE1 3.74Å; F332-Y383 HydrophobicContact CD2-CE1 3.74Å; F332-Y383 HydrophobicContact CD2-CE2 4.03Å; F332-Y383 AromaticContact CD2-CG 3.76Å; F332-Y383 HydrophobicContact CD2-CG 3.76Å; F332-Y383 AromaticContact CD2-CZ 3.91Å; F332-Y383 HydrophobicContact CE2-CD1 4.13Å; F332-Y383 HydrophobicContact CE2-CE1 4.09Å; F332-Y383 HydrophobicContact CG-CD1 4.43Å; F332-Y383 HydrophobicContact CG-CD2 4.05Å; F332-Y383 HydrophobicContact CG-CE1 4.18Å; F332-Y383 AromaticContact CG-CE2 3.84Å; F332-Y383 HydrophobicContact CG-CE2 3.84Å; F332-Y383 HydrophobicContact CG-CG 4.36Å; F332-Y383 AromaticContact CG-CZ 3.86Å |
| 333 | Y | 66.4 | Low | 71.2 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 26% | 0.255 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -51.2 | 178.3 | -174.7 | -102 | 0 | 0 | 0 | 111.7 | F129 C329 E335 S336 E337 N381 | F129-Y333 HydrophobicContact CZ-CD2 4.5Å; F129-Y333 HydrophobicContact CZ-CE2 4.24Å; C329-Y333 WeakPolarHBondContact O-CB 3.47Å; C329-Y333 PolarHBondContact O-N 3.1Å; Y333-E335 PolarHBondContact O-N 3.01Å; Y333-S336 WeakPolarHBondContact CA-OG 3.3Å; Y333-S336 PolarHBondContact O-N 3Å; Y333-S336 VanDerWaalsContact O-N 3.14Å; Y333-S336 PolarHBondContact O-OG 3.44Å; Y333-E337 HydrophobicContact CE1-CB 4.38Å; Y333-E337 VanDerWaalsContact CE1-OE2 3.24Å; Y333-E337 WeakPolarHBondContact CE1-OE2 3.48Å; Y333-E337 WeakPolarHBondContact O-CB 3.32Å; Y333-E337 PolarHBondContact O-N 2.93Å; Y333-N381 HydrophobicContact CD2-CB 3.66Å; Y333-N381 HydrophobicContact CE2-CB 4.15Å |
| 334 | T | 69 | Low | 70.2 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 112 | T330 Q331 S338 | T330-T334 WeakPolarHBondContact O-CB 3.34Å; T330-T334 VanDerWaalsContact O-CG2 3.3Å; T330-T334 WeakPolarHBondContact O-CG2 3.5Å; T330-T334 PolarHBondContact O-N 2.91Å; T330-T334 PolarHBondContact O-OG1 2.67Å; Q331-T334 WeakPolarHBondContact CA-OG1 3.25Å; Q331-T334 PolarHBondContact O-OG1 2.73Å; T334-S338 VanDerWaalsContact O-CB 3.24Å; T334-S338 WeakPolarHBondContact O-CB 3.5Å; T334-S338 PolarHBondContact O-N 3.35Å; T334-S338 PolarHBondContact O-OG 2.74Å |
| 335 | E | 66.6 | Low | 69.2 | Low | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -48.8 | 174.2 | -175 | 162.1 | -133.1 | 0 | 0 | 111.9 | R87 P126 Q331 F332 Y333 S338 L339 R358 | R87-E335 IonicContact CZ-OE1 2.67Å; R87-E335 IonicContact NE-OE1 2.77Å; R87-E335 IonicContact NH2-OE1 2.67Å; R87-E335 PolarHBondContact NH2-OE1 3.4Å; P126-E335 HydrophobicContact CG-CG 4.04Å; Q331-E335 WeakPolarHBondContact O-CB 3.24Å; Q331-E335 PolarHBondContact O-N 2.84Å; Q331-E335 VanDerWaalsContact O-N 3.12Å; F332-E335 PolarHBondContact O-N 3.16Å; Y333-E335 PolarHBondContact O-N 3.01Å; E335-S338 PolarHBondContact O-N 3.24Å; E335-S338 PolarHBondContact O-OG 3.5Å; E335-L339 WeakPolarHBondContact O-CG 3.42Å; E335-L339 PolarHBondContact O-N 3.39Å; E335-R358 IonicContact OE1-NE 3.8Å; E335-R358 IonicContact OE2-CZ 3.12Å; E335-R358 IonicContact OE2-NE 3.11Å; E335-R358 PolarHBondContact OE2-NE 2.89Å; E335-R358 IonicContact OE2-NH2 2.81Å |
| 336 | S | 66.2 | Low | 68.3 | Low | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.5 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | F129 F332 Y333 L339 S340 | F129-S336 WeakPolarHBondContact CZ-OG 3.5Å; F332-S336 PolarHBondContact O-N 3.48Å; F332-S336 PolarHBondContact O-OG 3.04Å; Y333-S336 WeakPolarHBondContact CA-OG 3.3Å; Y333-S336 PolarHBondContact O-N 3Å; Y333-S336 VanDerWaalsContact O-N 3.14Å; Y333-S336 PolarHBondContact O-OG 3.44Å; S336-L339 PolarHBondContact O-N 3.12Å; S336-S340 PolarHBondContact O-N 3.01Å |
| 337 | E | 66.1 | Low | 67.1 | Low | 66 Ų | 66 | 50.4 Ų | 50.4 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 177.9 | -172.9 | 173.7 | -153.4 | 0 | 0 | 111 | F129 Y333 L339 S340 E341 | F129-E337 HydrophobicContact CE2-CB 4.19Å; Y333-E337 HydrophobicContact CE1-CB 4.38Å; Y333-E337 VanDerWaalsContact CE1-OE2 3.24Å; Y333-E337 WeakPolarHBondContact CE1-OE2 3.48Å; Y333-E337 WeakPolarHBondContact O-CB 3.32Å; Y333-E337 PolarHBondContact O-N 2.93Å; E337-L339 PolarHBondContact O-N 2.95Å; E337-L339 VanDerWaalsContact O-N 3.14Å; E337-S340 PolarHBondContact O-N 3.31Å; E337-S340 PolarHBondContact O-OG 2.97Å; E337-E341 PolarHBondContact O-N 3.27Å |
| 338 | S | 67.8 | Low | 65.9 | Low | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -30.4 | 177.7 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | T334 E335 F346 | T334-S338 VanDerWaalsContact O-CB 3.24Å; T334-S338 WeakPolarHBondContact O-CB 3.5Å; T334-S338 PolarHBondContact O-N 3.35Å; T334-S338 PolarHBondContact O-OG 2.74Å; E335-S338 PolarHBondContact O-N 3.24Å; E335-S338 PolarHBondContact O-OG 3.5Å; S338-F346 WeakPolarHBondContact O-CE2 3.18Å |
| 339 | L | 67.1 | Low | 64.7 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.9 | -22.5 | 177.6 | -66.8 | 170.5 | 0 | 0 | 0 | 113.1 | R87 L90 P126 P128 E335 S336 E337 | R87-L339 HydrophobicContact CB-CD2 3.83Å; R87-L339 HydrophobicContact CG-CD2 3.99Å; L90-L339 HydrophobicContact CD2-CD1 3.86Å; L90-L339 HydrophobicContact CD2-CD2 4.11Å; P126-L339 HydrophobicContact CG-CD1 3.89Å; P126-L339 WeakPolarHBondContact O-CD1 3.32Å; P128-L339 HydrophobicContact CG-CB 4.47Å; E335-L339 WeakPolarHBondContact O-CG 3.42Å; E335-L339 PolarHBondContact O-N 3.39Å; S336-L339 PolarHBondContact O-N 3.12Å; E337-L339 PolarHBondContact O-N 2.95Å; E337-L339 VanDerWaalsContact O-N 3.14Å |
| 340 | S | 65.3 | Low | 63.7 | Low | 12 Ų | 12 | 49.2 Ų | 49.2 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -90.3 | -13.8 | 178.4 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | F129 S336 E337 | F129-S340 WeakPolarHBondContact CD2-OG 3.3Å; S336-S340 PolarHBondContact O-N 3.01Å; E337-S340 PolarHBondContact O-N 3.31Å; E337-S340 PolarHBondContact O-OG 2.97Å |
| 341 | E | 68.9 | Low | 62.7 | Low | 25 Ų | 25 | 48 Ų | 48 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -59.3 | 148.7 | -177.1 | -72 | -156.9 | 135.3 | 0 | 0 | 112.9 | E337 K345 Y349 | E337-E341 PolarHBondContact O-N 3.27Å; E341-K345 HydrophobicContact CB-CB 4.45Å; E341-K345 HydrophobicContact CB-CD 4.38Å; E341-K345 HydrophobicContact CG-CD 4.3Å; E341-K345 WeakPolarHBondContact OE1-CD 3.34Å; E341-K345 IonicContact OE1-NZ 3.85Å; E341-K345 PolarHBondContact OE1-NZ 3.38Å; E341-K345 WeakPolarHBondContact OE2-CB 3.34Å; E341-K345 VanDerWaalsContact OE2-CD 3.23Å; E341-K345 WeakPolarHBondContact OE2-CD 3.34Å; E341-Y349 WeakPolarHBondContact OE2-CE2 3.19Å |
| 342 | P | 65.5 | Low | 61.4 | Low | 76 Ų | 76 | 51.4 Ų | 51.4 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | trans | -60.1 | 143.6 | 174.3 | 23.1 | -31.4 | 0 | 0 | 0 | 110.7 | S344 K345 | P342-S344 PolarHBondContact O-N 3.25Å; P342-K345 PolarHBondContact O-N 2.98Å | ||
| 343 | I | 61.4 | Low | 59.9 | Low | 34 Ų | 34 | 54.9 Ų | 54.9 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.6 | -30.5 | -172.5 | -60.6 | 160.5 | 0 | 0 | 0 | 112.6 | F58 L61 W71 K345 F346 | F58-I343 HydrophobicContact CD1-CG2 3.54Å; F58-I343 HydrophobicContact CE1-CG2 3.88Å; L61-I343 HydrophobicContact CB-CG2 4.32Å; L61-I343 HydrophobicContact CD1-CG2 4.43Å; W71-I343 HydrophobicContact CH2-CD1 3.39Å; W71-I343 HydrophobicContact CH2-CG1 4.13Å; W71-I343 HydrophobicContact CZ2-CD1 3.37Å; I343-K345 VanDerWaalsContact C-N 3.28Å; I343-K345 PolarHBondContact O-N 3.07Å; I343-F346 WeakPolarHBondContact O-CB 3.39Å; I343-F346 PolarHBondContact O-N 3.4Å; I343-F346 VanDerWaalsContact O-N 3.11Å |
| 344 | S | 61.5 | Low | 58.6 | Low | 78 Ų | 78 | 59.4 Ų | 59.4 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.8 | -34.7 | 177.5 | 56 | 0 | 0 | 0 | 0 | 113.7 | P342 | P342-S344 PolarHBondContact O-N 3.25Å |
| 345 | K | 61.3 | Low | 57.6 | Low | 106 Ų | 106 | 60.2 Ų | 60.2 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77.3 | -27.7 | 176.7 | -76.3 | -173.7 | 172.5 | -178.6 | 0 | 113 | E341 P342 I343 I347 S348 | E341-K345 HydrophobicContact CB-CB 4.45Å; E341-K345 HydrophobicContact CB-CD 4.38Å; E341-K345 HydrophobicContact CG-CD 4.3Å; E341-K345 WeakPolarHBondContact OE1-CD 3.34Å; E341-K345 IonicContact OE1-NZ 3.85Å; E341-K345 PolarHBondContact OE1-NZ 3.38Å; E341-K345 WeakPolarHBondContact OE2-CB 3.34Å; E341-K345 VanDerWaalsContact OE2-CD 3.23Å; E341-K345 WeakPolarHBondContact OE2-CD 3.34Å; P342-K345 PolarHBondContact O-N 2.98Å; I343-K345 VanDerWaalsContact C-N 3.28Å; I343-K345 PolarHBondContact O-N 3.07Å; K345-I347 PolarHBondContact O-N 3.13Å; K345-S348 WeakPolarHBondContact O-CB 3.31Å; K345-S348 PolarHBondContact O-N 2.84Å; K345-S348 PolarHBondContact O-OG 3.49Å |
| 346 | F | 60.4 | Low | 56.7 | Low | 16 Ų | 16 | 64 Ų | 64 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -29.5 | -179.4 | -119.9 | -87.2 | 0 | 0 | 0 | 112.9 | F58 I88 S338 I343 S348 Y349 T350 | F58-F346 HydrophobicContact CE1-CB 4.3Å; F58-F346 HydrophobicContact CZ-CB 4.35Å; F58-F346 HydrophobicContact CZ-CD1 4.18Å; I88-F346 HydrophobicContact CG1-CD1 4.42Å; I88-F346 HydrophobicContact CG1-CE1 3.99Å; S338-F346 WeakPolarHBondContact O-CE2 3.18Å; I343-F346 WeakPolarHBondContact O-CB 3.39Å; I343-F346 PolarHBondContact O-N 3.4Å; I343-F346 VanDerWaalsContact O-N 3.11Å; F346-S348 PolarHBondContact O-N 3.03Å; F346-Y349 PolarHBondContact O-N 3.45Å; F346-Y349 VanDerWaalsContact O-N 3.09Å; F346-T350 PolarHBondContact O-N 3Å |
| 347 | I | 54.5 | Low | 55.8 | Low | 63 Ų | 63 | 72.8 Ų | 72.8 | 32% | 0.323 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -55.4 | -38.3 | 174.4 | -62.1 | 171.1 | 0 | 0 | 0 | 110.9 | F58 K345 T350 | F58-I347 HydrophobicContact CB-CD1 4.3Å; F58-I347 HydrophobicContact CB-CG1 3.81Å; F58-I347 HydrophobicContact CG-CG1 4.41Å; K345-I347 PolarHBondContact O-N 3.13Å; I347-T350 PolarHBondContact O-N 3.48Å; I347-T350 PolarHBondContact O-OG1 3.27Å |
| 348 | S | 54.8 | Low | 55.4 | Low | 71 Ų | 71 | 71.6 Ų | 71.6 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72 | -27.7 | 179.9 | 75.5 | 0 | 0 | 0 | 0 | 113.7 | K345 F346 S351 | K345-S348 WeakPolarHBondContact O-CB 3.31Å; K345-S348 PolarHBondContact O-N 2.84Å; K345-S348 PolarHBondContact O-OG 3.49Å; F346-S348 PolarHBondContact O-N 3.03Å; S348-S351 PolarHBondContact O-OG 2.8Å |
| 349 | Y | 52.1 | Low | 54.9 | Low | 116 Ų | 116 | 72.9 Ų | 72.9 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.1 | -29 | 176.9 | -76.9 | -76.9 | 0 | 0 | 0 | 112.5 | E341 F346 S351 N352 | E341-Y349 WeakPolarHBondContact OE2-CE2 3.19Å; F346-Y349 PolarHBondContact O-N 3.45Å; F346-Y349 VanDerWaalsContact O-N 3.09Å; Y349-S351 PolarHBondContact O-N 3.28Å; Y349-N352 PolarHBondContact O-N 2.89Å |
| 350 | T | 49.8 | Very low | 54.7 | Low | 27 Ų | 27 | 75.9 Ų | 75.9 | 17% | 0.166 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.2 | -179.5 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | I54 F58 F346 I347 | I54-T350 HydrophobicContact CG2-CG2 4.35Å; F58-T350 HydrophobicContact CE2-CG2 4.19Å; F346-T350 PolarHBondContact O-N 3Å; I347-T350 PolarHBondContact O-N 3.48Å; I347-T350 PolarHBondContact O-OG1 3.27Å |
| 351 | S | 48.8 | Very low | 54.7 | Low | 81 Ų | 81 | 75.4 Ų | 75.4 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -24.6 | 176.9 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | S348 Y349 | S348-S351 PolarHBondContact O-OG 2.8Å; Y349-S351 PolarHBondContact O-N 3.28Å |
| 352 | N | 45 | Very low | 54.9 | Low | 127 Ų | 127 | 74.2 Ų | 74.2 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | trans | -106.2 | 73.3 | -176.2 | -72.1 | -9 | 0 | 0 | 0 | 110.8 | Y349 N354 | Y349-N352 PolarHBondContact O-N 2.89Å; N352-N354 PolarHBondContact O-N 2.8Å | ||
| 353 | L | 39.2 | Very low | 55.2 | Low | 77 Ų | 77 | 70.6 Ų | 70.6 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | trans | -73.7 | 37.3 | -179.2 | -91 | 157.5 | 0 | 0 | 0 | 114.8 | K51 F355 | K51-L353 HydrophobicContact CD-CD1 4.1Å; L353-F355 HydrophobicContact CD2-CD2 4.33Å; L353-F355 HydrophobicContact CD2-CE2 3.66Å; L353-F355 HydrophobicContact CD2-CZ 4.38Å | ||
| 354 | N | 39.6 | Very low | 55.8 | Low | 159 Ų | 159 | 69.4 Ų | 69.4 | 85% | 0.85 | 37% | 0.37 | S | S | * | . | trans | -104.5 | 78.9 | 167.9 | -77.9 | -6.2 | 0 | 0 | 0 | 108.9 | N352 S356 | N352-N354 PolarHBondContact O-N 2.8Å; N354-S356 PolarHBondContact O-N 3.44Å; N354-S356 VanDerWaalsContact O-N 3.16Å | ||
| 355 | F | 48.3 | Very low | 56.5 | Low | 100 Ų | 100 | 66.1 Ų | 66.1 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | trans | -70.5 | 107.9 | 172.1 | -65.6 | -64.3 | 0 | 0 | 0 | 108.8 | L353 | L353-F355 HydrophobicContact CD2-CD2 4.33Å; L353-F355 HydrophobicContact CD2-CE2 3.66Å; L353-F355 HydrophobicContact CD2-CZ 4.38Å | ||
| 356 | S | 46.6 | Very low | 56.9 | Low | 88 Ų | 88 | 62.3 Ų | 62.3 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 144.6 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | N354 R358 | N354-S356 PolarHBondContact O-N 3.44Å; N354-S356 VanDerWaalsContact O-N 3.16Å; S356-R358 PolarHBondContact O-N 3.02Å |
| 357 | Q | 49 | Very low | 57 | Low | 195 Ų | 195 | 63.2 Ų | 63.2 | 91% | 0.911 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 125 | 169.2 | -87.7 | 179.6 | -22.9 | 0 | 0 | 108.9 | ||
| 358 | R | 56 | Low | 57.3 | Low | 40 Ų | 40 | 60.6 Ų | 60.6 | 15% | 0.151 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -81 | 134.6 | 179.4 | -176 | 176.6 | 179.7 | -132 | -7 | 109.3 | F123 R124 E335 S356 L360 | F123-R358 PolarHBondContact O-NH1 2.9Å; R124-R358 PolarHBondContact O-NH1 2.79Å; R124-R358 PolarHBondContact O-NH2 3.37Å; E335-R358 IonicContact OE1-NE 3.8Å; E335-R358 IonicContact OE2-CZ 3.12Å; E335-R358 IonicContact OE2-NE 3.11Å; E335-R358 PolarHBondContact OE2-NE 2.89Å; E335-R358 IonicContact OE2-NH2 2.81Å; S356-R358 PolarHBondContact O-N 3.02Å; R358-L360 PolarHBondContact O-N 2.9Å |
| 359 | T | 57.7 | Low | 57.3 | Low | 40 Ų | 40 | 60.8 Ų | 60.8 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 121.4 | 165.8 | 41.3 | 0 | 0 | 0 | 0 | 108.4 | Q331 C361 | Q331-T359 PolarHBondContact OE1-OG1 2.77Å; T359-C361 VanDerWaalsContact C-N 3.34Å; T359-C361 PolarHBondContact O-N 3.46Å |
| 360 | L | 62.7 | Low | 57.1 | Low | 63 Ų | 63 | 58 Ų | 58 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | trans | -74 | 89.3 | -175.6 | -75.2 | 168.4 | 0 | 0 | 0 | 110.1 | I292 I293 R358 | I292-L360 HydrophobicContact CD1-CD1 4.4Å; I292-L360 HydrophobicContact CG1-CB 4.39Å; I292-L360 HydrophobicContact CG2-CB 4.1Å; I293-L360 PolarHBondContact N-O 3.48Å; R358-L360 PolarHBondContact O-N 2.9Å | ||
| 361 | C | 66.5 | Low | 57.2 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 146.4 | 169.7 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | I293 L295 F324 F332 T359 P363 | I293-C361 WeakPolarHBondContact O-CA 3.28Å; L295-C361 WeakPolarHBondContact CD1-SG 3.42Å; F324-C361 HydrophobicContact CE1-CB 4.18Å; F324-C361 HydrophobicContact CZ-CB 4.19Å; F332-C361 HydrophobicContact CE1-CB 3.63Å; F332-C361 HydrophobicContact CE2-CB 4.45Å; F332-C361 HydrophobicContact CZ-CB 3.44Å; F332-C361 VanDerWaalsContact CZ-CB 3.44Å; T359-C361 VanDerWaalsContact C-N 3.34Å; T359-C361 PolarHBondContact O-N 3.46Å; C361-P363 WeakPolarHBondContact O-CD 3.39Å |
| 362 | T | 71.4 | Confident | 56.8 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -78 | 117.9 | 170.9 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | D294 L295 H296 | D294-T362 HydrophobicContact CB-CG2 4Å; D294-T362 VanDerWaalsContact CG-CG2 3.42Å; D294-T362 PolarHBondContact OD1-OG1 2.65Å; D294-T362 WeakPolarHBondContact OD2-CG2 3.38Å; L295-T362 PolarHBondContact N-OG1 3.4Å; L295-T362 VanDerWaalsContact N-OG1 3.09Å; H296-T362 PolarHBondContact ND1-OG1 3.09Å |
| 363 | P | 72.9 | Confident | 56.6 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 149.6 | 177.7 | 34.9 | -40.1 | 0 | 0 | 0 | 110.7 | R124 L125 P126 C361 R365 Y383 | R124-P363 VanDerWaalsContact O-CD 3.23Å; R124-P363 WeakPolarHBondContact O-CD 3.44Å; R124-P363 WeakPolarHBondContact O-CG 3.27Å; L125-P363 WeakPolarHBondContact O-CG 3.33Å; P126-P363 HydrophobicContact CB-CB 4.14Å; C361-P363 WeakPolarHBondContact O-CD 3.39Å; P363-R365 PolarHBondContact O-NH1 2.83Å; P363-Y383 WeakPolarHBondContact CA-OH 3.36Å |
| 364 | F | 74.7 | Confident | 56.7 | Low | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.039 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 134.4 | 162.8 | -79.7 | -99.9 | 0 | 0 | 0 | 109.7 | E161 L164 F165 L295 L299 I382 I386 | E161-F364 HydrophobicContact CB-CD1 3.94Å; E161-F364 HydrophobicContact CB-CE1 4.17Å; E161-F364 HydrophobicContact CG-CD1 3.45Å; E161-F364 VanDerWaalsContact CG-CD1 3.45Å; E161-F364 HydrophobicContact CG-CE1 3.75Å; E161-F364 HydrophobicContact CG-CG 4.32Å; E161-F364 WeakPolarHBondContact OE1-CA 3.47Å; L164-F364 HydrophobicContact CD1-CE1 4.26Å; L164-F364 HydrophobicContact CD1-CZ 4.29Å; F165-F364 AromaticContact CE2-CD1 3.49Å; F165-F364 HydrophobicContact CE2-CD1 3.49Å; F165-F364 VanDerWaalsContact CE2-CD1 3.49Å; F165-F364 AromaticContact CE2-CE1 3.62Å; F165-F364 HydrophobicContact CE2-CE1 3.62Å; F165-F364 HydrophobicContact CE2-CG 4.47Å; F165-F364 HydrophobicContact CZ-CD1 4.06Å; F165-F364 HydrophobicContact CZ-CE1 4.09Å; L295-F364 HydrophobicContact CB-CE2 3.82Å; L295-F364 HydrophobicContact CD1-CD2 4.42Å; L295-F364 HydrophobicContact CD1-CE2 4.01Å; L299-F364 HydrophobicContact CD1-CE2 4.23Å; L299-F364 HydrophobicContact CD1-CZ 3.54Å; F364-I382 HydrophobicContact CB-CD1 4.15Å; F364-I382 HydrophobicContact CB-CG2 3.6Å; F364-I382 HydrophobicContact CD1-CG2 4.32Å; F364-I382 HydrophobicContact CD2-CG2 4.15Å; F364-I382 HydrophobicContact CG-CG2 3.75Å; F364-I386 HydrophobicContact CD1-CD1 4.32Å; F364-I386 HydrophobicContact CD2-CD1 3.41Å; F364-I386 VanDerWaalsContact CD2-CD1 3.41Å; F364-I386 HydrophobicContact CE1-CD1 4.08Å; F364-I386 HydrophobicContact CE2-CD1 3.14Å; F364-I386 HydrophobicContact CE2-CG1 4.33Å; F364-I386 HydrophobicContact CG-CD1 4.01Å; F364-I386 HydrophobicContact CZ-CD1 3.51Å; F364-I386 HydrophobicContact CZ-CG1 4.28Å |
| 365 | R | 74.6 | Confident | 56.8 | Low | 8 Ų | 8 | 68 Ų | 68 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | trans | -108.3 | -11.4 | -178.6 | -63.3 | 174.5 | -171.2 | 77.9 | -2.7 | 112.3 | V120 L127 F134 L158 E161 P363 N367 | V120-R365 HydrophobicContact CG1-CG 4.36Å; V120-R365 VanDerWaalsContact CG1-NE 3.35Å; L127-R365 HydrophobicContact CD1-CB 3.77Å; L127-R365 HydrophobicContact CD1-CG 4.28Å; L127-R365 VanDerWaalsContact CD1-O 3.29Å; L127-R365 WeakPolarHBondContact CD1-O 3.24Å; L127-R365 HydrophobicContact CG-CB 4.5Å; F134-R365 HydrophobicContact CD1-CB 4.18Å; F134-R365 HydrophobicContact CE1-CB 4.12Å; F134-R365 HydrophobicContact CE1-CG 4.34Å; L158-R365 HydrophobicContact CD2-CB 3.75Å; E161-R365 VanDerWaalsContact CD-N 3.25Å; E161-R365 PolarHBondContact OE1-N 3.41Å; E161-R365 VanDerWaalsContact OE1-N 3.1Å; E161-R365 IonicContact OE1-NH1 3.89Å; E161-R365 WeakPolarHBondContact OE2-CA 3.05Å; E161-R365 PolarHBondContact OE2-N 3.44Å; P363-R365 PolarHBondContact O-NH1 2.83Å; R365-N367 PolarHBondContact O-N 3.42Å | ||
| 366 | F | 69.7 | Low | 56.4 | Low | 27 Ų | 27 | 67.1 Ų | 67.1 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | trans | -68.6 | 124.7 | 176.9 | -175.3 | -102.9 | 0 | 0 | 0 | 110.8 | E161 Y162 F165 Y166 L368 I382 | E161-F366 HydrophobicContact CB-CB 3.99Å; E161-F366 WeakPolarHBondContact OE2-CB 3.3Å; E161-F366 PolarHBondContact OE2-N 3.44Å; Y162-F366 HydrophobicContact CD2-CD2 4.32Å; Y162-F366 AromaticContact CD2-CE2 3.81Å; Y162-F366 HydrophobicContact CD2-CE2 3.81Å; Y162-F366 HydrophobicContact CD2-CZ 4.39Å; Y162-F366 HydrophobicContact CE2-CE2 4.37Å; F165-F366 HydrophobicContact CD2-CD1 4.1Å; Y166-F366 HydrophobicContact CD2-CZ 4.39Å; Y166-F366 AromaticContact CE2-CE1 3.66Å; Y166-F366 HydrophobicContact CE2-CE1 3.66Å; Y166-F366 HydrophobicContact CE2-CE2 4.13Å; Y166-F366 AromaticContact CE2-CZ 3.34Å; Y166-F366 HydrophobicContact CE2-CZ 3.34Å; Y166-F366 AromaticContact CZ-CZ 3.96Å; F366-L368 HydrophobicContact CD1-CD2 4.02Å; F366-L368 HydrophobicContact CD1-CG 4.36Å; F366-L368 HydrophobicContact CE1-CD2 3.83Å; F366-L368 HydrophobicContact CE1-CG 4.4Å; F366-I382 WeakPolarHBondContact O-CD1 3.41Å | ||
| 367 | N | 63.1 | Low | 56 | Low | 35 Ų | 35 | 66.5 Ų | 66.5 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | trans | -93.2 | 121 | 178.6 | -158 | -31.2 | 0 | 0 | 0 | 110.9 | F129 F131 N132 R365 N369 | F129-N367 PolarHBondContact O-ND2 2.83Å; F131-N367 PolarHBondContact O-ND2 2.9Å; N132-N367 PolarHBondContact OD1-ND2 3.17Å; R365-N367 PolarHBondContact O-N 3.42Å; N367-N369 VanDerWaalsContact C-N 3.31Å; N367-N369 PolarHBondContact O-N 2.88Å; N367-N369 WeakPolarHBondContact OD1-CB 3.34Å; N367-N369 PolarHBondContact OD1-N 3.07Å; N367-N369 VanDerWaalsContact OD1-N 3.14Å; N367-N369 PolarHBondContact OD1-ND2 3.06Å | ||
| 368 | L | 60.5 | Low | 55.7 | Low | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -80.1 | -8.9 | -177.7 | -69.3 | 165 | 0 | 0 | 0 | 113.5 | F165 F366 G370 L371 I382 I385 | F165-L368 HydrophobicContact CD1-CD2 4.45Å; F165-L368 HydrophobicContact CG-CD2 4.5Å; F366-L368 HydrophobicContact CD1-CD2 4.02Å; F366-L368 HydrophobicContact CD1-CG 4.36Å; F366-L368 HydrophobicContact CE1-CD2 3.83Å; F366-L368 HydrophobicContact CE1-CG 4.4Å; L368-G370 PolarHBondContact O-N 3.37Å; L368-L371 HydrophobicContact CB-CD1 3.94Å; L368-L371 HydrophobicContact CD2-CD1 3.68Å; L368-L371 HydrophobicContact CD2-CG 4.4Å; L368-L371 HydrophobicContact CG-CD1 4.37Å; L368-L371 VanDerWaalsContact O-CB 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.45Å; L368-L371 WeakPolarHBondContact O-CG 3.28Å; L368-L371 PolarHBondContact O-N 3.01Å; L368-I382 HydrophobicContact CD1-CG1 3.67Å; L368-I382 HydrophobicContact CG-CG1 4.39Å; L368-I385 HydrophobicContact CD1-CD1 3.26Å |
| 369 | N | 55.4 | Low | 55.5 | Low | 76 Ų | 76 | 66.4 Ų | 66.4 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -65 | -9.3 | -179.2 | -67.2 | -18.7 | 0 | 0 | 0 | 113.8 | F129 N367 L371 | F129-N369 PolarHBondContact O-ND2 3.28Å; N367-N369 VanDerWaalsContact C-N 3.31Å; N367-N369 PolarHBondContact O-N 2.88Å; N367-N369 WeakPolarHBondContact OD1-CB 3.34Å; N367-N369 PolarHBondContact OD1-N 3.07Å; N367-N369 VanDerWaalsContact OD1-N 3.14Å; N367-N369 PolarHBondContact OD1-ND2 3.06Å; N369-L371 VanDerWaalsContact C-N 3.31Å |
| 370 | G | 48.5 | Very low | 55.4 | Low | 57 Ų | 57 | 66.7 Ų | 66.7 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -82.1 | -3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L368 E372 | L368-G370 PolarHBondContact O-N 3.37Å; G370-E372 PolarHBondContact O-N 3.32Å |
| 371 | L | 50.7 | Low | 55.6 | Low | 59 Ų | 59 | 64.5 Ų | 64.5 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -68.1 | 122.2 | 168.3 | -66.9 | 170 | 0 | 0 | 0 | 108.4 | Y166 L368 N369 | Y166-L371 HydrophobicContact CE1-CD2 3.65Å; Y166-L371 VanDerWaalsContact OH-CD2 3.31Å; Y166-L371 WeakPolarHBondContact OH-CD2 3.29Å; L368-L371 HydrophobicContact CB-CD1 3.94Å; L368-L371 HydrophobicContact CD2-CD1 3.68Å; L368-L371 HydrophobicContact CD2-CG 4.4Å; L368-L371 HydrophobicContact CG-CD1 4.37Å; L368-L371 VanDerWaalsContact O-CB 3.24Å; L368-L371 WeakPolarHBondContact O-CB 3.45Å; L368-L371 WeakPolarHBondContact O-CG 3.28Å; L368-L371 PolarHBondContact O-N 3.01Å; N369-L371 VanDerWaalsContact C-N 3.31Å |
| 372 | E | 41 | Very low | 55.8 | Low | 148 Ų | 148 | 65.9 Ų | 65.9 | 69% | 0.692 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -57.2 | 167.1 | -179.7 | -65.6 | 177.1 | 153.8 | 0 | 0 | 114.2 | G370 | G370-E372 PolarHBondContact O-N 3.32Š|
| 373 | D | 41.2 | Very low | 56 | Low | 138 Ų | 138 | 66.5 Ų | 66.5 | 74% | 0.738 | 36% | 0.361 | S | S | * | . | trans | 75.7 | 104.9 | -175.3 | -65.9 | -21.5 | 0 | 0 | 0 | 118.3 | D375 | D373-D375 PolarHBondContact O-N 3.45Š| ||
| 374 | N | 41 | Very low | 56 | Low | 174 Ų | 174 | 68.1 Ų | 68.1 | 93% | 0.93 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 6.5 | -177.8 | -76 | -36.1 | 0 | 0 | 0 | 117 | ||
| 375 | D | 41.4 | Very low | 55.9 | Low | 162 Ų | 162 | 67.9 Ų | 67.9 | 87% | 0.866 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 10.2 | -167.9 | -83.5 | -21.7 | 0 | 0 | 0 | 115.6 | D373 | D373-D375 PolarHBondContact O-N 3.45Š|
| 376 | L | 40.3 | Very low | 56.1 | Low | 81 Ų | 81 | 67.6 Ų | 67.6 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -99.9 | 141.4 | 174.8 | -69.6 | 130.3 | 0 | 0 | 0 | 112.8 | T378 Y380 | L376-T378 PolarHBondContact O-N 2.95Å; L376-Y380 WeakPolarHBondContact CB-OH 3.43Å; L376-Y380 WeakPolarHBondContact CG-OH 3.39Å |
| 377 | P | 38.5 | Very low | 56.6 | Low | 76 Ų | 76 | 67.2 Ų | 67.2 | 49% | 0.494 | 37% | 0.368 | S | S | . | . | trans | -60.2 | 116 | -175.2 | 23 | -31.8 | 0 | 0 | 0 | 111.1 | K379 | P377-K379 PolarHBondContact O-N 3.2Š| ||
| 378 | T | 42.4 | Very low | 57.1 | Low | 126 Ų | 126 | 65.8 Ų | 65.8 | 77% | 0.773 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -40.5 | 124.9 | 175.3 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | L376 | L376-T378 PolarHBondContact O-N 2.95Š|
| 379 | K | 50.4 | Low | 58 | Low | 107 Ų | 107 | 65.7 Ų | 65.7 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | trans | 100 | 89.9 | 170.6 | -56.4 | 176.7 | -179.1 | -172.2 | 0 | 116 | P377 | P377-K379 PolarHBondContact O-N 3.2Š| ||
| 380 | Y | 57.3 | Low | 59.4 | Low | 45 Ų | 45 | 62.1 Ų | 62.1 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | trans | -94.3 | 140.5 | 176.3 | -57 | -81.8 | 0 | 0 | 0 | 113.3 | L376 Y424 | L376-Y380 WeakPolarHBondContact CB-OH 3.43Å; L376-Y380 WeakPolarHBondContact CG-OH 3.39Å; Y380-Y424 HydrophobicContact CD1-CD1 4.23Å | ||
| 381 | N | 66.1 | Low | 61 | Low | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | trans | -87.7 | 108.9 | 169.1 | -176 | -9.8 | 0 | 0 | 0 | 110.4 | C329 Y333 Y383 T384 I385 | C329-N381 PolarHBondContact SG-ND2 2.91Å; Y333-N381 HydrophobicContact CD2-CB 3.66Å; Y333-N381 HydrophobicContact CE2-CB 4.15Å; N381-Y383 PolarHBondContact O-N 3.24Å; N381-Y383 VanDerWaalsContact O-N 3.11Å; N381-Y383 WeakPolarHBondContact OD1-CB 3.44Å; N381-Y383 VanDerWaalsContact OD1-CD2 3.31Å; N381-Y383 WeakPolarHBondContact OD1-CD2 3.47Å; N381-Y383 PolarHBondContact OD1-N 2.98Å; N381-T384 HydrophobicContact CB-CG2 3.85Å; N381-T384 PolarHBondContact O-N 2.88Å; N381-T384 PolarHBondContact O-OG1 3.4Å; N381-I385 PolarHBondContact O-N 3.08Å | ||
| 382 | I | 70.6 | Confident | 62.6 | Low | 30 Ų | 30 | 57.4 Ų | 57.4 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.4 | -38.4 | 177.4 | -77.5 | 165.5 | 0 | 0 | 0 | 112.6 | F165 F364 F366 L368 T384 I385 I386 | F165-I382 HydrophobicContact CZ-CG2 3.92Å; F364-I382 HydrophobicContact CB-CD1 4.15Å; F364-I382 HydrophobicContact CB-CG2 3.6Å; F364-I382 HydrophobicContact CD1-CG2 4.32Å; F364-I382 HydrophobicContact CD2-CG2 4.15Å; F364-I382 HydrophobicContact CG-CG2 3.75Å; F366-I382 WeakPolarHBondContact O-CD1 3.41Å; L368-I382 HydrophobicContact CD1-CG1 3.67Å; L368-I382 HydrophobicContact CG-CG1 4.39Å; I382-T384 VanDerWaalsContact C-N 3.31Å; I382-T384 PolarHBondContact O-N 2.64Å; I382-I385 WeakPolarHBondContact O-CB 3.3Å; I382-I385 PolarHBondContact O-N 3.22Å; I382-I385 VanDerWaalsContact O-N 3.09Å; I382-I386 HydrophobicContact CG2-CD1 3.59Å; I382-I386 HydrophobicContact CG2-CG1 4.24Å; I382-I386 WeakPolarHBondContact O-CG1 3.49Å; I382-I386 PolarHBondContact O-N 2.99Å |
| 383 | Y | 75.6 | Confident | 64.7 | Low | 14 Ų | 14 | 50.3 Ų | 50.3 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -29.4 | -178.7 | -58 | -81.6 | 0 | 0 | 0 | 112.9 | L295 F332 P363 N381 I385 I386 N387 | L295-Y383 HydrophobicContact CD1-CD1 3.75Å; L295-Y383 HydrophobicContact CD1-CE1 3.51Å; F332-Y383 HydrophobicContact CB-CD2 3.5Å; F332-Y383 VanDerWaalsContact CB-CD2 3.5Å; F332-Y383 HydrophobicContact CB-CE2 3.36Å; F332-Y383 HydrophobicContact CB-CG 4.21Å; F332-Y383 AromaticContact CD2-CD1 3.68Å; F332-Y383 HydrophobicContact CD2-CD1 3.68Å; F332-Y383 AromaticContact CD2-CD2 3.92Å; F332-Y383 HydrophobicContact CD2-CD2 3.92Å; F332-Y383 AromaticContact CD2-CE1 3.74Å; F332-Y383 HydrophobicContact CD2-CE1 3.74Å; F332-Y383 HydrophobicContact CD2-CE2 4.03Å; F332-Y383 AromaticContact CD2-CG 3.76Å; F332-Y383 HydrophobicContact CD2-CG 3.76Å; F332-Y383 AromaticContact CD2-CZ 3.91Å; F332-Y383 HydrophobicContact CE2-CD1 4.13Å; F332-Y383 HydrophobicContact CE2-CE1 4.09Å; F332-Y383 HydrophobicContact CG-CD1 4.43Å; F332-Y383 HydrophobicContact CG-CD2 4.05Å; F332-Y383 HydrophobicContact CG-CE1 4.18Å; F332-Y383 AromaticContact CG-CE2 3.84Å; F332-Y383 HydrophobicContact CG-CE2 3.84Å; F332-Y383 HydrophobicContact CG-CG 4.36Å; F332-Y383 AromaticContact CG-CZ 3.86Å; P363-Y383 WeakPolarHBondContact CA-OH 3.36Å; N381-Y383 PolarHBondContact O-N 3.24Å; N381-Y383 VanDerWaalsContact O-N 3.11Å; N381-Y383 WeakPolarHBondContact OD1-CB 3.44Å; N381-Y383 VanDerWaalsContact OD1-CD2 3.31Å; N381-Y383 WeakPolarHBondContact OD1-CD2 3.47Å; N381-Y383 PolarHBondContact OD1-N 2.98Å; Y383-I385 VanDerWaalsContact C-N 3.31Å; Y383-I386 HydrophobicContact CD1-CD1 4.41Å; Y383-I386 PolarHBondContact O-N 3.47Å; Y383-N387 WeakPolarHBondContact O-CB 3.5Å; Y383-N387 PolarHBondContact O-N 2.95Å |
| 384 | T | 72.4 | Confident | 66.8 | Low | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.2 | -33.1 | 172.1 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | N381 I382 N387 S388 | N381-T384 HydrophobicContact CB-CG2 3.85Å; N381-T384 PolarHBondContact O-N 2.88Å; N381-T384 PolarHBondContact O-OG1 3.4Å; I382-T384 VanDerWaalsContact C-N 3.31Å; I382-T384 PolarHBondContact O-N 2.64Å; T384-N387 PolarHBondContact O-N 3.27Å; T384-S388 WeakPolarHBondContact O-CB 3.48Å; T384-S388 PolarHBondContact O-N 3.07Å; T384-S388 PolarHBondContact O-OG 3.49Å |
| 385 | I | 73.9 | Confident | 68.7 | Low | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.9 | -41.6 | 176.3 | -59.4 | 173.3 | 0 | 0 | 0 | 109.9 | F165 L368 N381 I382 Y383 N387 S388 W389 Y424 W429 | F165-I385 HydrophobicContact CD1-CG2 4.32Å; F165-I385 HydrophobicContact CE1-CB 4.45Å; F165-I385 HydrophobicContact CE1-CG2 3.82Å; L368-I385 HydrophobicContact CD1-CD1 3.26Å; N381-I385 PolarHBondContact O-N 3.08Å; I382-I385 WeakPolarHBondContact O-CB 3.3Å; I382-I385 PolarHBondContact O-N 3.22Å; I382-I385 VanDerWaalsContact O-N 3.09Å; Y383-I385 VanDerWaalsContact C-N 3.31Å; I385-N387 PolarHBondContact O-N 3.33Å; I385-S388 CarbonylContact O-C 3.03Å; I385-S388 WeakPolarHBondContact O-CA 3.38Å; I385-S388 WeakPolarHBondContact O-CB 3.44Å; I385-S388 PolarHBondContact O-N 3.17Å; I385-S388 VanDerWaalsContact O-N 3.17Å; I385-W389 WeakPolarHBondContact O-CB 3.33Å; I385-W389 PolarHBondContact O-N 3.49Å; I385-Y424 WeakPolarHBondContact CG1-O 3.44Å; I385-W429 HydrophobicContact CG2-CH2 4.05Å; I385-W429 HydrophobicContact CG2-CZ3 4.19Å |
| 386 | I | 78.9 | Confident | 70.8 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.1 | -63.7 | 161.4 | 0 | 0 | 0 | 111.5 | F165 L299 I325 F364 I382 Y383 S388 W389 L390 | F165-I386 HydrophobicContact CE1-CG1 4.23Å; F165-I386 HydrophobicContact CZ-CD1 4.27Å; F165-I386 HydrophobicContact CZ-CG1 3.83Å; L299-I386 HydrophobicContact CD1-CG2 3.95Å; L299-I386 HydrophobicContact CD2-CG2 3.76Å; L299-I386 HydrophobicContact CG-CG2 4.44Å; I325-I386 HydrophobicContact CD1-CB 4.34Å; I325-I386 HydrophobicContact CD1-CG2 3.68Å; F364-I386 HydrophobicContact CD1-CD1 4.32Å; F364-I386 HydrophobicContact CD2-CD1 3.41Å; F364-I386 VanDerWaalsContact CD2-CD1 3.41Å; F364-I386 HydrophobicContact CE1-CD1 4.08Å; F364-I386 HydrophobicContact CE2-CD1 3.14Å; F364-I386 HydrophobicContact CE2-CG1 4.33Å; F364-I386 HydrophobicContact CG-CD1 4.01Å; F364-I386 HydrophobicContact CZ-CD1 3.51Å; F364-I386 HydrophobicContact CZ-CG1 4.28Å; I382-I386 HydrophobicContact CG2-CD1 3.59Å; I382-I386 HydrophobicContact CG2-CG1 4.24Å; I382-I386 WeakPolarHBondContact O-CG1 3.49Å; I382-I386 PolarHBondContact O-N 2.99Å; Y383-I386 HydrophobicContact CD1-CD1 4.41Å; Y383-I386 PolarHBondContact O-N 3.47Å; I386-S388 VanDerWaalsContact C-N 3.28Å; I386-S388 PolarHBondContact O-N 3.17Å; I386-W389 VanDerWaalsContact O-CB 3.29Å; I386-W389 WeakPolarHBondContact O-CB 3.17Å; I386-W389 PolarHBondContact O-N 3.21Å; I386-L390 HydrophobicContact CG2-CD1 4.19Å; I386-L390 HydrophobicContact CG2-CG 4.48Å; I386-L390 WeakPolarHBondContact O-CB 3.45Å; I386-L390 WeakPolarHBondContact O-CG 3.49Å; I386-L390 PolarHBondContact O-N 3.23Å |
| 387 | N | 78.8 | Confident | 73 | Confident | 19 Ų | 19 | 25.7 Ų | 25.7 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 173.6 | -166.4 | 1.7 | 0 | 0 | 0 | 110.8 | I325 D326 Y383 T384 I385 L390 R391 | I325-N387 HydrophobicContact CG2-CB 4.09Å; D326-N387 PolarHBondContact OD1-ND2 2.92Å; Y383-N387 WeakPolarHBondContact O-CB 3.5Å; Y383-N387 PolarHBondContact O-N 2.95Å; T384-N387 PolarHBondContact O-N 3.27Å; I385-N387 PolarHBondContact O-N 3.33Å; N387-L390 PolarHBondContact O-N 2.96Å; N387-R391 WeakPolarHBondContact O-CB 3.46Å; N387-R391 WeakPolarHBondContact O-CD 3.29Å; N387-R391 VanDerWaalsContact O-CG 3.24Å; N387-R391 WeakPolarHBondContact O-CG 3.5Å; N387-R391 PolarHBondContact O-N 3.21Å; N387-R391 PolarHBondContact OD1-NE 3.27Å |
| 388 | S | 73.8 | Confident | 75.1 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.4 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | T384 I385 I386 R391 I392 L419 | T384-S388 WeakPolarHBondContact O-CB 3.48Å; T384-S388 PolarHBondContact O-N 3.07Å; T384-S388 PolarHBondContact O-OG 3.49Å; I385-S388 CarbonylContact O-C 3.03Å; I385-S388 WeakPolarHBondContact O-CA 3.38Å; I385-S388 WeakPolarHBondContact O-CB 3.44Å; I385-S388 PolarHBondContact O-N 3.17Å; I385-S388 VanDerWaalsContact O-N 3.17Å; I386-S388 VanDerWaalsContact C-N 3.28Å; I386-S388 PolarHBondContact O-N 3.17Å; S388-R391 PolarHBondContact O-N 2.72Å; S388-I392 VanDerWaalsContact O-CG1 3.24Å; S388-I392 WeakPolarHBondContact O-CG1 3.26Å; S388-I392 PolarHBondContact O-N 3Å; S388-L419 WeakPolarHBondContact OG-CD2 3.3Å |
| 389 | W | 80.6 | Confident | 77 | Confident | 5 Ų | 5 | 16.7 Ų | 16.7 | 2% | 0.019 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.4 | -49.9 | 174.2 | -175.7 | 86 | 0 | 0 | 0 | 112.2 | L164 F168 L299 L303 I385 I386 R391 I392 L393 W429 | L164-W389 HydrophobicContact CD2-CH2 4.35Å; L164-W389 HydrophobicContact CD2-CZ2 3.95Å; L164-W389 PolarHBondContact O-NE1 3.4Å; L164-W389 VanDerWaalsContact O-NE1 3.12Å; F168-W389 AromaticContact CD1-CD1 3.18Å; F168-W389 AromaticContact CD1-CE2 3.87Å; F168-W389 HydrophobicContact CD1-CG 4.34Å; F168-W389 AromaticContact CD1-NE1 2.95Å; F168-W389 AromaticContact CD2-CE2 3.44Å; F168-W389 VanDerWaalsContact CD2-CE2 3.44Å; F168-W389 HydrophobicContact CD2-CH2 4.39Å; F168-W389 AromaticContact CD2-CZ2 3.32Å; F168-W389 HydrophobicContact CD2-CZ2 3.32Å; F168-W389 AromaticContact CD2-NE1 3.26Å; F168-W389 VanDerWaalsContact CD2-NE1 3.26Å; F168-W389 AromaticContact CE1-CD1 3.19Å; F168-W389 HydrophobicContact CE1-CD2 4.26Å; F168-W389 AromaticContact CE1-CE2 3.82Å; F168-W389 HydrophobicContact CE1-CG 4.03Å; F168-W389 AromaticContact CE1-NE1 3.23Å; F168-W389 HydrophobicContact CE2-CD2 4.26Å; F168-W389 AromaticContact CE2-CE2 3.4Å; F168-W389 VanDerWaalsContact CE2-CE2 3.4Å; F168-W389 HydrophobicContact CE2-CH2 4.06Å; F168-W389 AromaticContact CE2-CZ2 3.33Å; F168-W389 HydrophobicContact CE2-CZ2 3.33Å; F168-W389 AromaticContact CE2-NE1 3.53Å; F168-W389 AromaticContact CG-CD1 3.68Å; F168-W389 AromaticContact CG-CE2 3.62Å; F168-W389 AromaticContact CG-CZ2 3.94Å; F168-W389 HydrophobicContact CG-CZ2 3.94Å; F168-W389 AromaticContact CG-NE1 2.9Å; F168-W389 AromaticContact CZ-CD1 3.73Å; F168-W389 HydrophobicContact CZ-CD2 4.03Å; F168-W389 AromaticContact CZ-CE2 3.56Å; F168-W389 HydrophobicContact CZ-CG 4.26Å; F168-W389 AromaticContact CZ-CZ2 3.96Å; F168-W389 HydrophobicContact CZ-CZ2 3.96Å; F168-W389 AromaticContact CZ-NE1 3.48Å; L299-W389 HydrophobicContact CB-CH2 3.94Å; L299-W389 HydrophobicContact CB-CZ3 4.14Å; L299-W389 HydrophobicContact CD2-CD2 4.33Å; L299-W389 HydrophobicContact CD2-CE3 3.42Å; L299-W389 VanDerWaalsContact CD2-CE3 3.42Å; L299-W389 HydrophobicContact CD2-CH2 3.83Å; L299-W389 HydrophobicContact CD2-CZ3 3.15Å; L299-W389 HydrophobicContact CG-CH2 4.46Å; L299-W389 HydrophobicContact CG-CZ3 4.2Å; L303-W389 HydrophobicContact CD1-CH2 4.21Å; L303-W389 HydrophobicContact CD1-CZ2 4.01Å; L303-W389 HydrophobicContact CD2-CH2 3.72Å; L303-W389 HydrophobicContact CD2-CZ2 3.68Å; L303-W389 HydrophobicContact CG-CH2 3.74Å; L303-W389 HydrophobicContact CG-CZ2 3.92Å; I385-W389 WeakPolarHBondContact O-CB 3.33Å; I385-W389 PolarHBondContact O-N 3.49Å; I386-W389 VanDerWaalsContact O-CB 3.29Å; I386-W389 WeakPolarHBondContact O-CB 3.17Å; I386-W389 PolarHBondContact O-N 3.21Å; W389-R391 VanDerWaalsContact C-N 3.26Å; W389-R391 PolarHBondContact O-N 3.06Å; W389-I392 PolarHBondContact O-N 3.47Å; W389-L393 HydrophobicContact CE3-CD2 4.22Å; W389-L393 HydrophobicContact CH2-CD2 3.61Å; W389-L393 HydrophobicContact CZ2-CD2 4.31Å; W389-L393 HydrophobicContact CZ3-CD2 3.52Å; W389-L393 WeakPolarHBondContact O-CB 3.4Å; W389-L393 PolarHBondContact O-N 3.08Å; W389-W429 HydrophobicContact CB-CH2 3.48Å; W389-W429 VanDerWaalsContact CB-CH2 3.48Å; W389-W429 HydrophobicContact CB-CZ3 3.42Å; W389-W429 VanDerWaalsContact CB-CZ3 3.42Å; W389-W429 AromaticContact CD1-CH2 3.07Å; W389-W429 AromaticContact CD1-CZ2 3.47Å; W389-W429 VanDerWaalsContact CD1-CZ2 3.47Å; W389-W429 AromaticContact CD1-CZ3 3.63Å; W389-W429 AromaticContact CG-CH2 3.61Å; W389-W429 HydrophobicContact CG-CH2 3.61Å; W389-W429 HydrophobicContact CG-CZ2 4.4Å; W389-W429 AromaticContact CG-CZ3 3.93Å; W389-W429 HydrophobicContact CG-CZ3 3.93Å |
| 390 | L | 84.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 179.8 | -79.5 | 167.3 | 0 | 0 | 0 | 111.2 | L299 V302 I318 L321 I322 I325 I386 N387 Y394 | L299-L390 HydrophobicContact CD2-CD1 4.28Å; L299-L390 HydrophobicContact CD2-CD2 3.74Å; L299-L390 HydrophobicContact CD2-CG 3.91Å; V302-L390 HydrophobicContact CG2-CD2 4.39Å; I318-L390 HydrophobicContact CG1-CD2 4.2Å; I318-L390 HydrophobicContact CG2-CB 4.44Å; L321-L390 HydrophobicContact CB-CD1 3.55Å; L321-L390 HydrophobicContact CB-CD2 4.16Å; L321-L390 HydrophobicContact CD1-CD1 4.43Å; L321-L390 HydrophobicContact CD1-CD2 3.79Å; I322-L390 HydrophobicContact CD1-CB 4.15Å; I322-L390 HydrophobicContact CG1-CB 3.82Å; I322-L390 HydrophobicContact CG1-CD1 4.05Å; I325-L390 HydrophobicContact CD1-CD1 3.68Å; I386-L390 HydrophobicContact CG2-CD1 4.19Å; I386-L390 HydrophobicContact CG2-CG 4.48Å; I386-L390 WeakPolarHBondContact O-CB 3.45Å; I386-L390 WeakPolarHBondContact O-CG 3.49Å; I386-L390 PolarHBondContact O-N 3.23Å; N387-L390 PolarHBondContact O-N 2.96Å; L390-Y394 VanDerWaalsContact O-CB 3.31Å; L390-Y394 WeakPolarHBondContact O-CB 3.34Å; L390-Y394 PolarHBondContact O-N 2.75Å |
| 391 | R | 82.7 | Confident | 79.6 | Confident | 16 Ų | 16 | 10.3 Ų | 10.3 | 6% | 0.06 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -72 | -37.5 | 176.7 | -70.4 | 165.8 | 179.9 | -119.4 | 7.7 | 112.6 | I322 D326 N387 S388 W389 Y394 M395 I415 | I322-R391 HydrophobicContact CD1-CG 3.75Å; D326-R391 IonicContact OD2-NH2 3.46Å; N387-R391 WeakPolarHBondContact O-CB 3.46Å; N387-R391 WeakPolarHBondContact O-CD 3.29Å; N387-R391 VanDerWaalsContact O-CG 3.24Å; N387-R391 WeakPolarHBondContact O-CG 3.5Å; N387-R391 PolarHBondContact O-N 3.21Å; N387-R391 PolarHBondContact OD1-NE 3.27Å; S388-R391 PolarHBondContact O-N 2.72Å; W389-R391 VanDerWaalsContact C-N 3.26Å; W389-R391 PolarHBondContact O-N 3.06Å; R391-Y394 WeakPolarHBondContact O-CB 3.49Å; R391-Y394 PolarHBondContact O-N 2.99Å; R391-M395 WeakPolarHBondContact O-CG 3.39Å; R391-M395 PolarHBondContact O-N 3.48Å; R391-I415 HydrophobicContact CB-CG2 3.97Å; R391-I415 HydrophobicContact CG-CG1 4.35Å; R391-I415 HydrophobicContact CG-CG2 4.37Å |
| 392 | I | 82.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 172.8 | -69.3 | 163.2 | 0 | 0 | 0 | 109.9 | M172 S388 W389 Y394 M395 A396 W429 V432 Y433 L436 | M172-I392 HydrophobicContact CE-CG2 3.97Å; S388-I392 VanDerWaalsContact O-CG1 3.24Å; S388-I392 WeakPolarHBondContact O-CG1 3.26Å; S388-I392 PolarHBondContact O-N 3Å; W389-I392 PolarHBondContact O-N 3.47Å; I392-Y394 VanDerWaalsContact C-N 3.3Å; I392-Y394 PolarHBondContact O-N 3.25Å; I392-M395 WeakPolarHBondContact O-CB 3.39Å; I392-M395 PolarHBondContact O-N 3.04Å; I392-A396 PolarHBondContact O-N 2.72Å; I392-W429 HydrophobicContact CD1-CE3 3.65Å; I392-W429 HydrophobicContact CD1-CZ3 4.32Å; I392-V432 HydrophobicContact CG2-CG1 4.11Å; I392-Y433 HydrophobicContact CG1-CD2 4.09Å; I392-L436 HydrophobicContact CG2-CD1 3.86Å |
| 393 | L | 86.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 175.4 | -169.6 | 51.5 | 0 | 0 | 0 | 111.7 | F168 M172 V302 L303 F306 I318 W389 A396 N397 | F168-L393 HydrophobicContact CE2-CB 4.49Å; F168-L393 HydrophobicContact CE2-CD1 3.84Å; F168-L393 HydrophobicContact CE2-CD2 3.96Å; F168-L393 HydrophobicContact CE2-CG 4.33Å; F168-L393 HydrophobicContact CZ-CB 3.94Å; F168-L393 HydrophobicContact CZ-CD1 3.89Å; F168-L393 HydrophobicContact CZ-CD2 4.21Å; F168-L393 HydrophobicContact CZ-CG 4.24Å; M172-L393 HydrophobicContact CG-CD1 4.11Å; M172-L393 HydrophobicContact SD-CD1 3.68Å; V302-L393 HydrophobicContact CB-CD2 4.22Å; V302-L393 HydrophobicContact CG1-CD2 3.37Å; V302-L393 HydrophobicContact CG1-CG 4.12Å; L303-L393 HydrophobicContact CD2-CD2 3.96Å; F306-L393 HydrophobicContact CB-CD1 4.04Å; F306-L393 HydrophobicContact CD1-CD1 3.78Å; F306-L393 HydrophobicContact CD2-CD1 3.71Å; F306-L393 HydrophobicContact CE1-CD1 4.13Å; F306-L393 HydrophobicContact CE2-CD1 4.06Å; F306-L393 HydrophobicContact CG-CD1 3.55Å; F306-L393 HydrophobicContact CZ-CD1 4.25Å; I318-L393 HydrophobicContact CD1-CB 4.48Å; I318-L393 HydrophobicContact CD1-CG 4.31Å; W389-L393 HydrophobicContact CE3-CD2 4.22Å; W389-L393 HydrophobicContact CH2-CD2 3.61Å; W389-L393 HydrophobicContact CZ2-CD2 4.31Å; W389-L393 HydrophobicContact CZ3-CD2 3.52Å; W389-L393 WeakPolarHBondContact O-CB 3.4Å; W389-L393 PolarHBondContact O-N 3.08Å; L393-A396 WeakPolarHBondContact O-CB 3.28Å; L393-A396 PolarHBondContact O-N 3.45Å; L393-N397 VanDerWaalsContact O-CB 3.31Å; L393-N397 WeakPolarHBondContact O-CB 3.49Å; L393-N397 PolarHBondContact O-N 3.5Å |
| 394 | Y | 84.2 | Confident | 78.3 | Confident | 30 Ų | 30 | 16.8 Ų | 16.8 | 12% | 0.118 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.2 | -167.7 | -114.5 | 0 | 0 | 0 | 111.6 | I318 L390 R391 I392 N397 I398 I415 | I318-Y394 HydrophobicContact CB-CD2 4.27Å; I318-Y394 HydrophobicContact CD1-CD2 3.97Å; I318-Y394 HydrophobicContact CG2-CD2 3.87Å; I318-Y394 HydrophobicContact CG2-CG 4.21Å; L390-Y394 VanDerWaalsContact O-CB 3.31Å; L390-Y394 WeakPolarHBondContact O-CB 3.34Å; L390-Y394 PolarHBondContact O-N 2.75Å; R391-Y394 WeakPolarHBondContact O-CB 3.49Å; R391-Y394 PolarHBondContact O-N 2.99Å; I392-Y394 VanDerWaalsContact C-N 3.3Å; I392-Y394 PolarHBondContact O-N 3.25Å; Y394-N397 WeakPolarHBondContact O-CB 3.46Å; Y394-N397 PolarHBondContact O-N 3.35Å; Y394-I398 HydrophobicContact CD1-CD1 3.59Å; Y394-I398 HydrophobicContact CE1-CD1 3.41Å; Y394-I398 VanDerWaalsContact CE1-CD1 3.41Å; Y394-I398 HydrophobicContact CE1-CG1 4.4Å; Y394-I398 HydrophobicContact CG-CD1 4.3Å; Y394-I398 WeakPolarHBondContact O-CD1 3.24Å; Y394-I398 WeakPolarHBondContact O-CG1 3.38Å; Y394-I398 PolarHBondContact O-N 3.01Å; Y394-I415 HydrophobicContact CD1-CD1 4.35Å |
| 395 | M | 81.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 173.9 | -76.6 | -176 | 172.1 | 0 | 0 | 111.6 | R391 I392 N397 I398 C399 I412 I415 Y433 Y437 | R391-M395 WeakPolarHBondContact O-CG 3.39Å; R391-M395 PolarHBondContact O-N 3.48Å; I392-M395 WeakPolarHBondContact O-CB 3.39Å; I392-M395 PolarHBondContact O-N 3.04Å; M395-N397 VanDerWaalsContact C-N 3.3Å; M395-N397 PolarHBondContact O-N 3.33Å; M395-I398 PolarHBondContact O-N 3.39Å; M395-C399 WeakPolarHBondContact O-CB 3.31Å; M395-C399 PolarHBondContact O-N 3.25Å; M395-C399 PolarHBondContact O-SG 3.1Å; M395-I412 HydrophobicContact CE-CG2 3.81Å; M395-I415 HydrophobicContact CE-CB 4.22Å; M395-I415 HydrophobicContact CE-CG2 3.57Å; M395-Y433 HydrophobicContact CE-CE2 4.42Å; M395-Y433 HydrophobicContact SD-CD2 4.47Å; M395-Y433 HydrophobicContact SD-CE2 4.16Å; M395-Y437 HydrophobicContact CE-CD2 3.65Å; M395-Y437 HydrophobicContact CE-CE2 3.97Å; M395-Y437 HydrophobicContact SD-CD2 4.1Å |
| 396 | A | 85.2 | Confident | 76 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M172 F306 I392 L393 C399 N400 L436 | M172-A396 HydrophobicContact SD-CB 3.91Å; F306-A396 HydrophobicContact CE2-CB 3.72Å; F306-A396 HydrophobicContact CZ-CB 3.83Å; I392-A396 PolarHBondContact O-N 2.72Å; L393-A396 WeakPolarHBondContact O-CB 3.28Å; L393-A396 PolarHBondContact O-N 3.45Å; A396-C399 PolarHBondContact O-N 3.1Å; A396-N400 WeakPolarHBondContact O-CB 3.4Å; A396-N400 PolarHBondContact O-N 3.42Å; A396-L436 HydrophobicContact CB-CD1 3.73Å; A396-L436 HydrophobicContact CB-CD2 4.1Å |
| 397 | N | 86.5 | Confident | 74.5 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.9 | -169.1 | 63.5 | 0 | 0 | 0 | 111.3 | F306 F311 L393 Y394 M395 S401 | F306-N397 HydrophobicContact CD2-CB 4.04Å; F306-N397 HydrophobicContact CE2-CB 4.33Å; F311-N397 VanDerWaalsContact CD1-OD1 3.28Å; F311-N397 WeakPolarHBondContact CD1-OD1 2.94Å; F311-N397 PolarHBondContact O-ND2 3.34Å; L393-N397 VanDerWaalsContact O-CB 3.31Å; L393-N397 WeakPolarHBondContact O-CB 3.49Å; L393-N397 PolarHBondContact O-N 3.5Å; Y394-N397 WeakPolarHBondContact O-CB 3.46Å; Y394-N397 PolarHBondContact O-N 3.35Å; M395-N397 VanDerWaalsContact C-N 3.3Å; M395-N397 PolarHBondContact O-N 3.33Å; N397-S401 WeakPolarHBondContact O-CB 3.3Å; N397-S401 PolarHBondContact O-N 3.19Å; N397-S401 PolarHBondContact O-OG 3.06Å |
| 398 | I | 81.7 | Confident | 73.1 | Confident | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 173.7 | -66.8 | 158.3 | 0 | 0 | 0 | 111 | Y394 M395 N400 S401 E402 I412 Y440 | Y394-I398 HydrophobicContact CD1-CD1 3.59Å; Y394-I398 HydrophobicContact CE1-CD1 3.41Å; Y394-I398 VanDerWaalsContact CE1-CD1 3.41Å; Y394-I398 HydrophobicContact CE1-CG1 4.4Å; Y394-I398 HydrophobicContact CG-CD1 4.3Å; Y394-I398 WeakPolarHBondContact O-CD1 3.24Å; Y394-I398 WeakPolarHBondContact O-CG1 3.38Å; Y394-I398 PolarHBondContact O-N 3.01Å; M395-I398 PolarHBondContact O-N 3.39Å; I398-N400 VanDerWaalsContact C-N 3.34Å; I398-N400 PolarHBondContact O-N 3.47Å; I398-S401 PolarHBondContact O-N 2.85Å; I398-S401 PolarHBondContact O-OG 3.18Å; I398-S401 VanDerWaalsContact O-OG 3.11Å; I398-E402 PolarHBondContact O-N 3.18Å; I398-E402 VanDerWaalsContact O-N 3.09Å; I398-I412 HydrophobicContact CD1-CD1 3.75Å; I398-Y440 HydrophobicContact CG2-CD2 3.96Å; I398-Y440 HydrophobicContact CG2-CE2 4.1Å |
| 399 | C | 83.7 | Confident | 72 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 179.6 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | M395 A396 L436 E439 I443 R527 | M395-C399 WeakPolarHBondContact O-CB 3.31Å; M395-C399 PolarHBondContact O-N 3.25Å; M395-C399 PolarHBondContact O-SG 3.1Å; A396-C399 PolarHBondContact O-N 3.1Å; C399-L436 HydrophobicContact CB-CD2 4.39Å; C399-L436 PolarHBondContact SG-O 3.48Å; C399-E439 HydrophobicContact CB-CG 4.39Å; C399-I443 HydrophobicContact CB-CD1 4.08Å; C399-R527 PolarHBondContact O-NH2 2.58Å |
| 400 | N | 84.4 | Confident | 70.6 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.1 | -31.9 | 178.6 | -76.2 | -1.9 | 0 | 0 | 0 | 112.9 | F306 F311 A396 I398 R527 Y569 | F306-N400 WeakPolarHBondContact CE2-ND2 3.41Å; F306-N400 VanDerWaalsContact CZ-ND2 3.26Å; F306-N400 WeakPolarHBondContact CZ-ND2 3.12Å; F311-N400 HydrophobicContact CE1-CB 3.87Å; A396-N400 WeakPolarHBondContact O-CB 3.4Å; A396-N400 PolarHBondContact O-N 3.42Å; I398-N400 VanDerWaalsContact C-N 3.34Å; I398-N400 PolarHBondContact O-N 3.47Å; N400-R527 WeakPolarHBondContact OD1-CG 3.43Å; N400-Y569 HydrophobicContact CB-CE2 4.4Å; N400-Y569 WeakPolarHBondContact O-CE2 3.46Å; N400-Y569 PolarHBondContact O-OH 2.69Å |
| 401 | S | 77.7 | Confident | 69.2 | Low | 8 Ų | 8 | 41.5 Ų | 41.5 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.5 | -30.5 | 179.9 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | F311 N397 I398 I403 Y570 | F311-S401 VanDerWaalsContact CD1-CB 3.5Å; N397-S401 WeakPolarHBondContact O-CB 3.3Å; N397-S401 PolarHBondContact O-N 3.19Å; N397-S401 PolarHBondContact O-OG 3.06Å; I398-S401 PolarHBondContact O-N 2.85Å; I398-S401 PolarHBondContact O-OG 3.18Å; I398-S401 VanDerWaalsContact O-OG 3.11Å; S401-I403 PolarHBondContact O-N 2.95Å; S401-I403 PolarHBondContact OG-N 3.03Å; S401-Y570 PolarHBondContact O-OH 3.07Å |
| 402 | E | 67.9 | Low | 68 | Low | 49 Ų | 49 | 40.8 Ų | 40.8 | 23% | 0.229 | 24% | 0.236 | C | C | . | . | trans | 56.6 | 3.9 | -171 | -52.1 | -160.7 | 151.1 | 0 | 0 | 115.5 | I398 S404 R527 Y530 | I398-E402 PolarHBondContact O-N 3.18Å; I398-E402 VanDerWaalsContact O-N 3.09Å; E402-S404 PolarHBondContact O-N 2.94Å; E402-R527 IonicContact OE1-CZ 2.96Å; E402-R527 IonicContact OE1-NH1 3.74Å; E402-R527 PolarHBondContact OE1-NH1 3.21Å; E402-R527 IonicContact OE1-NH2 4Å; E402-R527 PolarHBondContact OE1-NH2 2.93Å; E402-R527 VanDerWaalsContact OE1-NH2 3.15Å; E402-Y530 WeakPolarHBondContact OE1-CE1 3.46Å; E402-Y530 PolarHBondContact OE1-OH 3.33Å; E402-Y530 PolarHBondContact OE2-OH 3.47Å | ||
| 403 | I | 62.5 | Low | 66.8 | Low | 63 Ų | 63 | 45 Ų | 45 | 32% | 0.323 | 26% | 0.255 | S | S | . | . | trans | -74.5 | 106.4 | 178.7 | -60.5 | 170.9 | 0 | 0 | 0 | 106.4 | S401 T405 M600 | S401-I403 PolarHBondContact O-N 2.95Å; S401-I403 PolarHBondContact OG-N 3.03Å; I403-T405 HydrophobicContact CG2-CG2 4.17Å; I403-T405 PolarHBondContact O-N 3.48Å; I403-M600 HydrophobicContact CD1-CE 3.81Å | ||
| 404 | S | 53.5 | Low | 65.4 | Low | 85 Ų | 85 | 49 Ų | 49 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | trans | -67.1 | 84.4 | 173.1 | 69.1 | 0 | 0 | 0 | 0 | 109.4 | E402 K406 | E402-S404 PolarHBondContact O-N 2.94Å; S404-K406 VanDerWaalsContact C-N 3.32Å; S404-K406 PolarHBondContact O-N 3.37Å | ||
| 405 | T | 51.6 | Low | 64.1 | Low | 55 Ų | 55 | 48.1 Ų | 48.1 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | trans | -71.4 | 94.3 | 168.3 | 46.6 | 0 | 0 | 0 | 0 | 107.7 | I403 S407 T408 | I403-T405 HydrophobicContact CG2-CG2 4.17Å; I403-T405 PolarHBondContact O-N 3.48Å; T405-S407 PolarHBondContact O-N 3.49Å; T405-T408 PolarHBondContact O-N 3.13Å; T405-T408 PolarHBondContact O-OG1 3.32Å; T405-T408 WeakPolarHBondContact OG1-CG2 3.43Å; T405-T408 PolarHBondContact OG1-OG1 3.13Å; T405-T408 VanDerWaalsContact OG1-OG1 3.05Å | ||
| 406 | K | 47.3 | Very low | 62.9 | Low | 192 Ų | 192 | 49.5 Ų | 49.5 | 84% | 0.835 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -18.5 | 175.1 | -70.7 | -179.4 | 176.4 | 177.6 | 0 | 113.7 | S404 T408 | S404-K406 VanDerWaalsContact C-N 3.32Å; S404-K406 PolarHBondContact O-N 3.37Å; K406-T408 VanDerWaalsContact C-N 3.32Å |
| 407 | S | 47.4 | Very low | 61.4 | Low | 101 Ų | 101 | 57 Ų | 57 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.3 | 176.5 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | T405 | T405-S407 PolarHBondContact O-N 3.49Š|
| 408 | T | 48.9 | Very low | 59.9 | Low | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | trans | -105.4 | -6.5 | -166.9 | 55.7 | 0 | 0 | 0 | 0 | 116.6 | T405 K406 G410 N411 I412 | T405-T408 PolarHBondContact O-N 3.13Å; T405-T408 PolarHBondContact O-OG1 3.32Å; T405-T408 WeakPolarHBondContact OG1-CG2 3.43Å; T405-T408 PolarHBondContact OG1-OG1 3.13Å; T405-T408 VanDerWaalsContact OG1-OG1 3.05Å; K406-T408 VanDerWaalsContact C-N 3.32Å; T408-G410 VanDerWaalsContact C-N 3.32Å; T408-G410 PolarHBondContact O-N 3.05Å; T408-N411 PolarHBondContact O-N 3.02Å; T408-I412 WeakPolarHBondContact O-CG1 3.18Å; T408-I412 PolarHBondContact O-N 3.45Å | ||
| 409 | D | 50.5 | Low | 58.6 | Low | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.4 | -43.2 | -176.3 | -70.4 | -6.7 | 0 | 0 | 0 | 112.4 | I412 E413 Y440 | D409-I412 PolarHBondContact O-N 2.83Å; D409-E413 PolarHBondContact O-N 3.46Å; D409-E413 VanDerWaalsContact O-N 3.13Å; D409-Y440 PolarHBondContact OD1-OH 3Å |
| 410 | G | 52.8 | Low | 57.1 | Low | 55 Ų | 55 | 63.3 Ų | 63.3 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | T408 M414 | T408-G410 VanDerWaalsContact C-N 3.32Å; T408-G410 PolarHBondContact O-N 3.05Å; G410-M414 WeakPolarHBondContact O-CB 3.48Å; G410-M414 PolarHBondContact O-N 3.26Å |
| 411 | N | 53.5 | Low | 55.4 | Low | 92 Ų | 92 | 69.2 Ų | 69.2 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.9 | -35.3 | 178.9 | -79.1 | -18.5 | 0 | 0 | 0 | 111.4 | T408 M414 I415 | T408-N411 PolarHBondContact O-N 3.02Å; N411-M414 WeakPolarHBondContact O-CB 3.29Å; N411-M414 PolarHBondContact O-N 3.28Å; N411-I415 WeakPolarHBondContact O-CD1 3.23Å; N411-I415 WeakPolarHBondContact O-CG1 3.36Å; N411-I415 PolarHBondContact O-N 3.4Å |
| 412 | I | 58.2 | Low | 54 | Low | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -75.8 | -38.1 | -177.6 | -66.3 | 168.4 | 0 | 0 | 0 | 111.4 | M395 I398 T408 D409 M414 I415 F416 Y437 Y440 | M395-I412 HydrophobicContact CE-CG2 3.81Å; I398-I412 HydrophobicContact CD1-CD1 3.75Å; T408-I412 WeakPolarHBondContact O-CG1 3.18Å; T408-I412 PolarHBondContact O-N 3.45Å; D409-I412 PolarHBondContact O-N 2.83Å; I412-M414 VanDerWaalsContact C-N 3.3Å; I412-M414 PolarHBondContact O-N 3.32Å; I412-I415 HydrophobicContact CG1-CD1 4.4Å; I412-I415 WeakPolarHBondContact O-CB 3.47Å; I412-I415 PolarHBondContact O-N 3.35Å; I412-F416 PolarHBondContact O-N 3.49Å; I412-Y437 HydrophobicContact CG2-CE2 4.47Å; I412-Y440 HydrophobicContact CB-CE1 4.18Å; I412-Y440 HydrophobicContact CD1-CD2 4.13Å; I412-Y440 HydrophobicContact CD1-CE1 4.17Å; I412-Y440 HydrophobicContact CD1-CE2 3.32Å; I412-Y440 VanDerWaalsContact CD1-OH 3.31Å; I412-Y440 WeakPolarHBondContact CD1-OH 3.48Å; I412-Y440 HydrophobicContact CG2-CD1 3.87Å; I412-Y440 HydrophobicContact CG2-CE1 3.47Å; I412-Y440 VanDerWaalsContact CG2-CE1 3.47Å; I412-Y440 HydrophobicContact CG2-CE2 4.47Å; I412-Y440 HydrophobicContact CG2-CG 4.49Å |
| 413 | E | 57.8 | Low | 53.1 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 42% | 0.416 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 171.2 | -155.7 | -169.9 | 145 | 0 | 0 | 111.6 | D409 F416 R417 | D409-E413 PolarHBondContact O-N 3.46Å; D409-E413 VanDerWaalsContact O-N 3.13Å; E413-F416 PolarHBondContact O-N 3.45Å; E413-R417 PolarHBondContact O-N 2.81Å; E413-R417 IonicContact OE1-CZ 3.64Å; E413-R417 IonicContact OE1-NE 2.97Å; E413-R417 IonicContact OE1-NH2 2.62Å; E413-R417 PolarHBondContact OE1-NH2 3.4Å |
| 414 | M | 56.6 | Low | 52.8 | Low | 85 Ų | 85 | 77.1 Ų | 77.1 | 42% | 0.419 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 171.6 | -175 | -175.5 | 66.4 | 0 | 0 | 111.9 | G410 N411 I412 F416 R417 Q418 | G410-M414 WeakPolarHBondContact O-CB 3.48Å; G410-M414 PolarHBondContact O-N 3.26Å; N411-M414 WeakPolarHBondContact O-CB 3.29Å; N411-M414 PolarHBondContact O-N 3.28Å; I412-M414 VanDerWaalsContact C-N 3.3Å; I412-M414 PolarHBondContact O-N 3.32Å; M414-F416 VanDerWaalsContact C-N 3.29Å; M414-F416 PolarHBondContact O-N 3.13Å; M414-R417 PolarHBondContact O-N 3.47Å; M414-Q418 WeakPolarHBondContact O-CG 3.32Å; M414-Q418 PolarHBondContact O-N 2.92Å |
| 415 | I | 56.5 | Low | 53.1 | Low | 11 Ų | 11 | 74.2 Ų | 74.2 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 174.1 | -71.1 | 160.4 | 0 | 0 | 0 | 110.3 | R391 Y394 M395 N411 I412 Q418 L419 | R391-I415 HydrophobicContact CB-CG2 3.97Å; R391-I415 HydrophobicContact CG-CG1 4.35Å; R391-I415 HydrophobicContact CG-CG2 4.37Å; Y394-I415 HydrophobicContact CD1-CD1 4.35Å; M395-I415 HydrophobicContact CE-CB 4.22Å; M395-I415 HydrophobicContact CE-CG2 3.57Å; N411-I415 WeakPolarHBondContact O-CD1 3.23Å; N411-I415 WeakPolarHBondContact O-CG1 3.36Å; N411-I415 PolarHBondContact O-N 3.4Å; I412-I415 HydrophobicContact CG1-CD1 4.4Å; I412-I415 WeakPolarHBondContact O-CB 3.47Å; I412-I415 PolarHBondContact O-N 3.35Å; I415-Q418 PolarHBondContact O-N 3.28Å; I415-L419 HydrophobicContact CG2-CD1 3.56Å; I415-L419 HydrophobicContact CG2-CG 4.31Å; I415-L419 WeakPolarHBondContact O-CB 3.5Å; I415-L419 WeakPolarHBondContact O-CG 3.21Å; I415-L419 PolarHBondContact O-N 2.81Å |
| 416 | F | 56 | Low | 53.3 | Low | 29 Ų | 29 | 72.5 Ų | 72.5 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -49 | 174.7 | 177.6 | -94.9 | 0 | 0 | 0 | 112.8 | I412 E413 M414 Q418 L419 A420 Y433 Y437 | I412-F416 PolarHBondContact O-N 3.49Å; E413-F416 PolarHBondContact O-N 3.45Å; M414-F416 VanDerWaalsContact C-N 3.29Å; M414-F416 PolarHBondContact O-N 3.13Å; F416-Q418 PolarHBondContact O-N 3.41Å; F416-Q418 VanDerWaalsContact O-N 3.15Å; F416-L419 PolarHBondContact O-N 3.24Å; F416-L419 VanDerWaalsContact O-N 3.12Å; F416-A420 HydrophobicContact CD1-CB 4.15Å; F416-A420 HydrophobicContact CD2-CB 4.41Å; F416-A420 HydrophobicContact CE1-CB 3.76Å; F416-A420 HydrophobicContact CE2-CB 4.05Å; F416-A420 HydrophobicContact CG-CB 4.46Å; F416-A420 HydrophobicContact CZ-CB 3.71Å; F416-A420 WeakPolarHBondContact O-CB 2.92Å; F416-A420 PolarHBondContact O-N 3.03Å; F416-Y433 WeakPolarHBondContact CD2-OH 2.95Å; F416-Y437 HydrophobicContact CB-CE1 4.47Å; F416-Y437 HydrophobicContact CB-CE2 3.91Å; F416-Y437 WeakPolarHBondContact CB-OH 3.16Å; F416-Y437 AromaticContact CD2-CD1 4Å; F416-Y437 HydrophobicContact CD2-CD1 4Å; F416-Y437 AromaticContact CD2-CE1 3.13Å; F416-Y437 HydrophobicContact CD2-CE1 3.13Å; F416-Y437 AromaticContact CD2-CE2 3.98Å; F416-Y437 HydrophobicContact CD2-CE2 3.98Å; F416-Y437 AromaticContact CD2-CZ 3.14Å; F416-Y437 VanDerWaalsContact CD2-OH 3.22Å; F416-Y437 WeakPolarHBondContact CD2-OH 3.3Å; F416-Y437 HydrophobicContact CE2-CD1 4.22Å; F416-Y437 AromaticContact CE2-CE1 3.44Å; F416-Y437 HydrophobicContact CE2-CE1 3.44Å; F416-Y437 VanDerWaalsContact CE2-CE1 3.44Å; F416-Y437 AromaticContact CE2-CZ 3.92Å; F416-Y437 AromaticContact CG-CE1 3.95Å; F416-Y437 HydrophobicContact CG-CE1 3.95Å; F416-Y437 HydrophobicContact CG-CE2 4.28Å; F416-Y437 AromaticContact CG-CZ 3.5Å; F416-Y437 WeakPolarHBondContact CG-OH 3.42Å; F416-Y437 HydrophobicContact CZ-CE1 4.43Å |
| 417 | R | 55.3 | Low | 53.8 | Low | 160 Ų | 160 | 67.6 Ų | 67.6 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -32.9 | 178.8 | -71.7 | -175.3 | -169.1 | -178.6 | 6.4 | 111.8 | E413 M414 N421 | E413-R417 PolarHBondContact O-N 2.81Å; E413-R417 IonicContact OE1-CZ 3.64Å; E413-R417 IonicContact OE1-NE 2.97Å; E413-R417 IonicContact OE1-NH2 2.62Å; E413-R417 PolarHBondContact OE1-NH2 3.4Å; M414-R417 PolarHBondContact O-N 3.47Å; R417-N421 VanDerWaalsContact O-CG 3.3Å; R417-N421 PolarHBondContact O-ND2 3.03Å |
| 418 | Q | 55 | Low | 54.3 | Low | 86 Ų | 86 | 64.5 Ų | 64.5 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.5 | -49.7 | 174.6 | -71.6 | 179.6 | -15.7 | 0 | 0 | 111.2 | M414 I415 F416 N421 T422 | M414-Q418 WeakPolarHBondContact O-CG 3.32Å; M414-Q418 PolarHBondContact O-N 2.92Å; I415-Q418 PolarHBondContact O-N 3.28Å; F416-Q418 PolarHBondContact O-N 3.41Å; F416-Q418 VanDerWaalsContact O-N 3.15Å; Q418-N421 PolarHBondContact O-N 3.39Å; Q418-T422 WeakPolarHBondContact O-CG2 3.46Å; Q418-T422 PolarHBondContact O-N 2.81Å |
| 419 | L | 53.7 | Low | 55.1 | Low | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.8 | -37.9 | -177.8 | -71.3 | 171.1 | 0 | 0 | 0 | 114.7 | S388 I415 F416 N421 T422 I425 Y433 | S388-L419 WeakPolarHBondContact OG-CD2 3.3Å; I415-L419 HydrophobicContact CG2-CD1 3.56Å; I415-L419 HydrophobicContact CG2-CG 4.31Å; I415-L419 WeakPolarHBondContact O-CB 3.5Å; I415-L419 WeakPolarHBondContact O-CG 3.21Å; I415-L419 PolarHBondContact O-N 2.81Å; F416-L419 PolarHBondContact O-N 3.24Å; F416-L419 VanDerWaalsContact O-N 3.12Å; L419-N421 PolarHBondContact O-N 3.31Å; L419-T422 VanDerWaalsContact CA-OG1 3.31Å; L419-T422 WeakPolarHBondContact CA-OG1 3.37Å; L419-T422 WeakPolarHBondContact O-CA 3.31Å; L419-T422 WeakPolarHBondContact O-CB 3.23Å; L419-T422 PolarHBondContact O-N 2.93Å; L419-T422 PolarHBondContact O-OG1 2.83Å; L419-I425 HydrophobicContact CD2-CD1 4.22Å; L419-Y433 HydrophobicContact CB-CE2 4.24Å; L419-Y433 HydrophobicContact CD1-CD2 4Å; L419-Y433 HydrophobicContact CD1-CE2 3.38Å; L419-Y433 HydrophobicContact CG-CE2 4.43Å |
| 420 | A | 52 | Low | 56 | Low | 58 Ų | 58 | 63.4 Ų | 63.4 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F416 T422 | F416-A420 HydrophobicContact CD1-CB 4.15Å; F416-A420 HydrophobicContact CD2-CB 4.41Å; F416-A420 HydrophobicContact CE1-CB 3.76Å; F416-A420 HydrophobicContact CE2-CB 4.05Å; F416-A420 HydrophobicContact CG-CB 4.46Å; F416-A420 HydrophobicContact CZ-CB 3.71Å; F416-A420 WeakPolarHBondContact O-CB 2.92Å; F416-A420 PolarHBondContact O-N 3.03Å; A420-T422 VanDerWaalsContact C-N 3.34Å |
| 421 | N | 48.6 | Very low | 56.7 | Low | 134 Ų | 134 | 62.6 Ų | 62.6 | 72% | 0.717 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14 | 171.8 | -73 | -18.1 | 0 | 0 | 0 | 112.6 | R417 Q418 L419 K423 | R417-N421 VanDerWaalsContact O-CG 3.3Å; R417-N421 PolarHBondContact O-ND2 3.03Å; Q418-N421 PolarHBondContact O-N 3.39Å; L419-N421 PolarHBondContact O-N 3.31Å; N421-K423 PolarHBondContact O-N 2.83Å |
| 422 | T | 47.8 | Very low | 57.8 | Low | 30 Ų | 30 | 58.3 Ų | 58.3 | 18% | 0.184 | 29% | 0.294 | C | S | . | . | trans | -83.9 | 106.5 | 179 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | Q418 L419 A420 Y424 | Q418-T422 WeakPolarHBondContact O-CG2 3.46Å; Q418-T422 PolarHBondContact O-N 2.81Å; L419-T422 VanDerWaalsContact CA-OG1 3.31Å; L419-T422 WeakPolarHBondContact CA-OG1 3.37Å; L419-T422 WeakPolarHBondContact O-CA 3.31Å; L419-T422 WeakPolarHBondContact O-CB 3.23Å; L419-T422 PolarHBondContact O-N 2.93Å; L419-T422 PolarHBondContact O-OG1 2.83Å; A420-T422 VanDerWaalsContact C-N 3.34Å; T422-Y424 HydrophobicContact CG2-CD2 3.38Å; T422-Y424 HydrophobicContact CG2-CE2 3.91Å; T422-Y424 HydrophobicContact CG2-CG 4.44Å; T422-Y424 PolarHBondContact O-N 3.32Å | ||
| 423 | K | 50.4 | Low | 58.7 | Low | 150 Ų | 150 | 58.9 Ų | 58.9 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 19.7 | 159.7 | -66.9 | -175.1 | 176.1 | -175.4 | 0 | 112.4 | N421 | N421-K423 PolarHBondContact O-N 2.83Š|
| 424 | Y | 54.6 | Low | 59.6 | Low | 105 Ų | 105 | 55.7 Ų | 55.7 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 6.7 | -160.4 | -49.7 | -57.7 | 0 | 0 | 0 | 113.7 | Y380 I385 T422 | Y380-Y424 HydrophobicContact CD1-CD1 4.23Å; I385-Y424 WeakPolarHBondContact CG1-O 3.44Å; T422-Y424 HydrophobicContact CG2-CD2 3.38Å; T422-Y424 HydrophobicContact CG2-CE2 3.91Å; T422-Y424 HydrophobicContact CG2-CG 4.44Å; T422-Y424 PolarHBondContact O-N 3.32Å |
| 425 | I | 60.2 | Low | 60.8 | Low | 24 Ų | 24 | 51.7 Ų | 51.7 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -94.7 | 128.1 | -176.1 | -57.3 | 175 | 0 | 0 | 0 | 109.1 | L419 W429 I430 Y433 | L419-I425 HydrophobicContact CD2-CD1 4.22Å; I425-W429 HydrophobicContact CG2-CB 3.34Å; I425-W429 HydrophobicContact CG2-CG 4.46Å; I425-I430 HydrophobicContact CB-CG1 4.29Å; I425-I430 HydrophobicContact CG2-CG1 4Å; I425-Y433 HydrophobicContact CD1-CD1 4.43Å |
| 426 | P | 56.5 | Low | 62.1 | Low | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | trans | -52.9 | 144.3 | 171 | -24.6 | 33.3 | 0 | 0 | 0 | 111.2 | T428 W429 I430 | P426-T428 PolarHBondContact O-N 3.24Å; P426-T428 VanDerWaalsContact O-N 3.08Å; P426-W429 HydrophobicContact CB-CG 4.32Å; P426-W429 HydrophobicContact CG-CD2 4.3Å; P426-W429 HydrophobicContact CG-CG 4.28Å; P426-W429 WeakPolarHBondContact O-CB 3.24Å; P426-W429 PolarHBondContact O-N 2.82Å; P426-I430 PolarHBondContact O-N 2.94Å | ||
| 427 | S | 57.5 | Low | 63.2 | Low | 90 Ų | 90 | 49.9 Ų | 49.9 | 63% | 0.629 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -51.1 | -38.6 | -177.9 | 54.9 | 0 | 0 | 0 | 0 | 113 | W429 I430 | S427-W429 VanDerWaalsContact C-N 3.28Å; S427-W429 PolarHBondContact O-N 3.02Å; S427-I430 WeakPolarHBondContact O-CB 3.43Å; S427-I430 PolarHBondContact O-N 3.49Å |
| 428 | T | 57.9 | Low | 64.5 | Low | 36 Ų | 36 | 42.4 Ų | 42.4 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -28.9 | 177 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | L180 P426 V432 | L180-T428 HydrophobicContact CD1-CG2 3.23Å; P426-T428 PolarHBondContact O-N 3.24Å; P426-T428 VanDerWaalsContact O-N 3.08Å; T428-V432 WeakPolarHBondContact O-CG2 3.47Å |
| 429 | W | 65.9 | Low | 66 | Low | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.2 | -16.6 | -178.5 | -71.3 | 31.6 | 0 | 0 | 0 | 112.5 | F165 F168 I385 W389 I392 I425 P426 S427 D431 V432 Y433 | F165-W429 HydrophobicContact CD1-CH2 4.28Å; F165-W429 HydrophobicContact CD1-CZ2 4.2Å; F165-W429 PolarHBondContact O-NE1 3.28Å; F168-W429 HydrophobicContact CD1-CZ2 4.41Å; I385-W429 HydrophobicContact CG2-CH2 4.05Å; I385-W429 HydrophobicContact CG2-CZ3 4.19Å; W389-W429 HydrophobicContact CB-CH2 3.48Å; W389-W429 VanDerWaalsContact CB-CH2 3.48Å; W389-W429 HydrophobicContact CB-CZ3 3.42Å; W389-W429 VanDerWaalsContact CB-CZ3 3.42Å; W389-W429 AromaticContact CD1-CH2 3.07Å; W389-W429 AromaticContact CD1-CZ2 3.47Å; W389-W429 VanDerWaalsContact CD1-CZ2 3.47Å; W389-W429 AromaticContact CD1-CZ3 3.63Å; W389-W429 AromaticContact CG-CH2 3.61Å; W389-W429 HydrophobicContact CG-CH2 3.61Å; W389-W429 HydrophobicContact CG-CZ2 4.4Å; W389-W429 AromaticContact CG-CZ3 3.93Å; W389-W429 HydrophobicContact CG-CZ3 3.93Å; I392-W429 HydrophobicContact CD1-CE3 3.65Å; I392-W429 HydrophobicContact CD1-CZ3 4.32Å; I425-W429 HydrophobicContact CG2-CB 3.34Å; I425-W429 HydrophobicContact CG2-CG 4.46Å; P426-W429 HydrophobicContact CB-CG 4.32Å; P426-W429 HydrophobicContact CG-CD2 4.3Å; P426-W429 HydrophobicContact CG-CG 4.28Å; P426-W429 WeakPolarHBondContact O-CB 3.24Å; P426-W429 PolarHBondContact O-N 2.82Å; S427-W429 VanDerWaalsContact C-N 3.28Å; S427-W429 PolarHBondContact O-N 3.02Å; W429-D431 VanDerWaalsContact C-N 3.31Å; W429-V432 PolarHBondContact O-N 2.9Å; W429-Y433 WeakPolarHBondContact O-CB 3.44Å; W429-Y433 PolarHBondContact O-N 3.26Å |
| 430 | I | 68.2 | Low | 67.4 | Low | 67 Ų | 67 | 38.5 Ų | 38.5 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.8 | -48 | 175.3 | -62.4 | 174.9 | 0 | 0 | 0 | 108.9 | I425 P426 S427 V432 Y433 Q434 | I425-I430 HydrophobicContact CB-CG1 4.29Å; I425-I430 HydrophobicContact CG2-CG1 4Å; P426-I430 PolarHBondContact O-N 2.94Å; S427-I430 WeakPolarHBondContact O-CB 3.43Å; S427-I430 PolarHBondContact O-N 3.49Å; I430-V432 PolarHBondContact O-N 3.34Å; I430-Y433 PolarHBondContact O-N 2.89Å; I430-Q434 HydrophobicContact CG2-CG 4.27Å; I430-Q434 WeakPolarHBondContact O-CB 3.42Å; I430-Q434 WeakPolarHBondContact O-CG 3.45Å; I430-Q434 PolarHBondContact O-N 3.46Å |
| 431 | D | 67.9 | Low | 68.7 | Low | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 177.9 | -68.3 | -3.8 | 0 | 0 | 0 | 111.9 | S178 W429 Y433 Q434 T435 | S178-D431 VanDerWaalsContact CB-OD2 3.31Å; S178-D431 WeakPolarHBondContact CB-OD2 3.13Å; S178-D431 PolarHBondContact OG-OD2 3.35Å; W429-D431 VanDerWaalsContact C-N 3.31Å; D431-Y433 PolarHBondContact O-N 3.45Å; D431-Q434 PolarHBondContact O-N 2.83Å; D431-T435 WeakPolarHBondContact O-CB 3.34Å; D431-T435 PolarHBondContact O-N 3.3Å; D431-T435 PolarHBondContact O-OG1 3.47Å |
| 432 | V | 77.6 | Confident | 70.2 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | P169 M172 L176 I392 T428 W429 I430 T435 L436 | P169-V432 HydrophobicContact CB-CG2 3.99Å; M172-V432 HydrophobicContact CE-CG1 3.45Å; M172-V432 VanDerWaalsContact CE-CG1 3.45Å; L176-V432 HydrophobicContact CB-CB 4.38Å; L176-V432 HydrophobicContact CB-CG1 4.16Å; L176-V432 HydrophobicContact CB-CG2 4.01Å; L176-V432 HydrophobicContact CD1-CG1 3.99Å; L176-V432 HydrophobicContact CG-CG1 4.48Å; I392-V432 HydrophobicContact CG2-CG1 4.11Å; T428-V432 WeakPolarHBondContact O-CG2 3.47Å; W429-V432 PolarHBondContact O-N 2.9Å; I430-V432 PolarHBondContact O-N 3.34Å; V432-T435 PolarHBondContact O-N 3.47Å; V432-L436 HydrophobicContact CG1-CD1 4.1Å; V432-L436 WeakPolarHBondContact O-CG 3.37Å; V432-L436 PolarHBondContact O-N 3.08Å |
| 433 | Y | 76 | Confident | 71.7 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 179.9 | 168.8 | -109.8 | 0 | 0 | 0 | 112 | I392 M395 F416 L419 I425 W429 I430 D431 T435 L436 Y437 | I392-Y433 HydrophobicContact CG1-CD2 4.09Å; M395-Y433 HydrophobicContact CE-CE2 4.42Å; M395-Y433 HydrophobicContact SD-CD2 4.47Å; M395-Y433 HydrophobicContact SD-CE2 4.16Å; F416-Y433 WeakPolarHBondContact CD2-OH 2.95Å; L419-Y433 HydrophobicContact CB-CE2 4.24Å; L419-Y433 HydrophobicContact CD1-CD2 4Å; L419-Y433 HydrophobicContact CD1-CE2 3.38Å; L419-Y433 HydrophobicContact CG-CE2 4.43Å; I425-Y433 HydrophobicContact CD1-CD1 4.43Å; W429-Y433 WeakPolarHBondContact O-CB 3.44Å; W429-Y433 PolarHBondContact O-N 3.26Å; I430-Y433 PolarHBondContact O-N 2.89Å; D431-Y433 PolarHBondContact O-N 3.45Å; Y433-T435 PolarHBondContact O-N 3.35Å; Y433-L436 PolarHBondContact O-N 2.91Å; Y433-Y437 VanDerWaalsContact O-CB 3.23Å; Y433-Y437 WeakPolarHBondContact O-CB 3.44Å; Y433-Y437 PolarHBondContact O-N 2.91Å |
| 434 | Q | 76.5 | Confident | 72.9 | Confident | 23 Ų | 23 | 26.2 Ų | 26.2 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 178.6 | -74.2 | 179.1 | -6.1 | 0 | 0 | 111.5 | I430 D431 L438 W457 I459 F479 | I430-Q434 HydrophobicContact CG2-CG 4.27Å; I430-Q434 WeakPolarHBondContact O-CB 3.42Å; I430-Q434 WeakPolarHBondContact O-CG 3.45Å; I430-Q434 PolarHBondContact O-N 3.46Å; D431-Q434 PolarHBondContact O-N 2.83Å; Q434-L438 WeakPolarHBondContact O-CB 3.4Å; Q434-L438 PolarHBondContact O-N 2.85Å; Q434-W457 HydrophobicContact CB-CE3 4.1Å; Q434-W457 HydrophobicContact CB-CH2 3.63Å; Q434-W457 HydrophobicContact CB-CZ2 4.12Å; Q434-W457 HydrophobicContact CB-CZ3 3.6Å; Q434-W457 HydrophobicContact CG-CD2 3.92Å; Q434-W457 HydrophobicContact CG-CE3 3.89Å; Q434-W457 HydrophobicContact CG-CH2 3.75Å; Q434-W457 HydrophobicContact CG-CZ2 3.73Å; Q434-W457 HydrophobicContact CG-CZ3 3.83Å; Q434-W457 VanDerWaalsContact O-CH2 3.3Å; Q434-W457 WeakPolarHBondContact O-CH2 3.32Å; Q434-I459 VanDerWaalsContact OE1-CD1 3.24Å; Q434-F479 HydrophobicContact CB-CD2 4.34Å; Q434-F479 HydrophobicContact CB-CE2 3.88Å |
| 435 | T | 81.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -54.3 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | L176 D431 V432 Y433 Y437 L438 E439 S476 R478 F479 | L176-T435 HydrophobicContact CD2-CG2 3.65Å; D431-T435 WeakPolarHBondContact O-CB 3.34Å; D431-T435 PolarHBondContact O-N 3.3Å; D431-T435 PolarHBondContact O-OG1 3.47Å; V432-T435 PolarHBondContact O-N 3.47Å; Y433-T435 PolarHBondContact O-N 3.35Å; T435-Y437 VanDerWaalsContact C-N 3.27Å; T435-Y437 PolarHBondContact O-N 3Å; T435-L438 PolarHBondContact O-N 2.89Å; T435-E439 WeakPolarHBondContact O-CB 3.45Å; T435-E439 PolarHBondContact O-N 3.34Å; T435-S476 PolarHBondContact OG1-OG 2.98Å; T435-S476 VanDerWaalsContact OG1-OG 3.08Å; T435-R478 HydrophobicContact CG2-CB 3.76Å; T435-R478 HydrophobicContact CG2-CG 3.62Å; T435-F479 HydrophobicContact CG2-CB 4.21Å; T435-F479 WeakPolarHBondContact OG1-CB 3.34Å |
| 436 | L | 84.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -34.1 | -178.4 | -69.3 | 172.2 | 0 | 0 | 0 | 112 | M172 L176 I392 A396 C399 V432 Y433 E439 Y440 | M172-L436 HydrophobicContact CE-CD1 4.42Å; L176-L436 HydrophobicContact CD1-CD1 4.34Å; L176-L436 HydrophobicContact CD1-CD2 4.29Å; L176-L436 HydrophobicContact CD1-CG 4.4Å; L176-L436 HydrophobicContact CD2-CD2 3.95Å; L176-L436 HydrophobicContact CD2-CG 3.94Å; I392-L436 HydrophobicContact CG2-CD1 3.86Å; A396-L436 HydrophobicContact CB-CD1 3.73Å; A396-L436 HydrophobicContact CB-CD2 4.1Å; C399-L436 HydrophobicContact CB-CD2 4.39Å; C399-L436 PolarHBondContact SG-O 3.48Å; V432-L436 HydrophobicContact CG1-CD1 4.1Å; V432-L436 WeakPolarHBondContact O-CG 3.37Å; V432-L436 PolarHBondContact O-N 3.08Å; Y433-L436 PolarHBondContact O-N 2.91Å; L436-E439 PolarHBondContact O-N 3.43Å; L436-Y440 WeakPolarHBondContact O-CB 3.12Å; L436-Y440 PolarHBondContact O-N 2.91Å |
| 437 | Y | 80.2 | Confident | 75.9 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72 | -40.8 | 179.5 | -168.1 | -119.9 | 0 | 0 | 0 | 112.6 | M395 I412 F416 Y433 T435 E439 Y440 Y441 I453 W457 | M395-Y437 HydrophobicContact CE-CD2 3.65Å; M395-Y437 HydrophobicContact CE-CE2 3.97Å; M395-Y437 HydrophobicContact SD-CD2 4.1Å; I412-Y437 HydrophobicContact CG2-CE2 4.47Å; F416-Y437 HydrophobicContact CB-CE1 4.47Å; F416-Y437 HydrophobicContact CB-CE2 3.91Å; F416-Y437 WeakPolarHBondContact CB-OH 3.16Å; F416-Y437 AromaticContact CD2-CD1 4Å; F416-Y437 HydrophobicContact CD2-CD1 4Å; F416-Y437 AromaticContact CD2-CE1 3.13Å; F416-Y437 HydrophobicContact CD2-CE1 3.13Å; F416-Y437 AromaticContact CD2-CE2 3.98Å; F416-Y437 HydrophobicContact CD2-CE2 3.98Å; F416-Y437 AromaticContact CD2-CZ 3.14Å; F416-Y437 VanDerWaalsContact CD2-OH 3.22Å; F416-Y437 WeakPolarHBondContact CD2-OH 3.3Å; F416-Y437 HydrophobicContact CE2-CD1 4.22Å; F416-Y437 AromaticContact CE2-CE1 3.44Å; F416-Y437 HydrophobicContact CE2-CE1 3.44Å; F416-Y437 VanDerWaalsContact CE2-CE1 3.44Å; F416-Y437 AromaticContact CE2-CZ 3.92Å; F416-Y437 AromaticContact CG-CE1 3.95Å; F416-Y437 HydrophobicContact CG-CE1 3.95Å; F416-Y437 HydrophobicContact CG-CE2 4.28Å; F416-Y437 AromaticContact CG-CZ 3.5Å; F416-Y437 WeakPolarHBondContact CG-OH 3.42Å; F416-Y437 HydrophobicContact CZ-CE1 4.43Å; Y433-Y437 VanDerWaalsContact O-CB 3.23Å; Y433-Y437 WeakPolarHBondContact O-CB 3.44Å; Y433-Y437 PolarHBondContact O-N 2.91Å; T435-Y437 VanDerWaalsContact C-N 3.27Å; T435-Y437 PolarHBondContact O-N 3Å; Y437-E439 VanDerWaalsContact C-N 3.34Å; Y437-Y440 PolarHBondContact O-N 2.91Å; Y437-Y441 HydrophobicContact CD1-CD2 4.48Å; Y437-Y441 HydrophobicContact CD1-CE2 4.18Å; Y437-Y441 HydrophobicContact CD2-CE2 4.29Å; Y437-Y441 HydrophobicContact CE1-CD2 4.29Å; Y437-Y441 AromaticContact CE1-CE2 3.59Å; Y437-Y441 HydrophobicContact CE1-CE2 3.59Å; Y437-Y441 HydrophobicContact CE2-CD2 4.45Å; Y437-Y441 AromaticContact CE2-CE2 3.65Å; Y437-Y441 HydrophobicContact CE2-CE2 3.65Å; Y437-Y441 AromaticContact CZ-CE2 3.25Å; Y437-Y441 AromaticContact CZ-CZ 3.88Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.37Å; Y437-Y441 PolarHBondContact O-N 3.35Å; Y437-Y441 VanDerWaalsContact OH-CE2 3.28Å; Y437-Y441 WeakPolarHBondContact OH-CE2 3.3Å; Y437-Y441 PolarHBondContact OH-OH 3.49Å; Y437-I453 HydrophobicContact CD1-CD1 4.05Å; Y437-I453 HydrophobicContact CD1-CG2 4.08Å; Y437-I453 HydrophobicContact CE1-CD1 3.27Å; Y437-I453 HydrophobicContact CE1-CG1 3.99Å; Y437-I453 HydrophobicContact CE1-CG2 4.01Å; Y437-W457 AromaticContact CD1-CH2 3.95Å; Y437-W457 HydrophobicContact CD1-CH2 3.95Å; Y437-W457 AromaticContact CD1-CZ2 3.8Å; Y437-W457 HydrophobicContact CD1-CZ2 3.8Å |
| 438 | L | 81.9 | Confident | 76.9 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 171.7 | -177.6 | 65 | 0 | 0 | 0 | 110.7 | Q434 T435 Y440 Y441 L442 A450 L454 F479 C482 L483 L486 | Q434-L438 WeakPolarHBondContact O-CB 3.4Å; Q434-L438 PolarHBondContact O-N 2.85Å; T435-L438 PolarHBondContact O-N 2.89Å; L438-Y440 PolarHBondContact O-N 2.87Å; L438-Y441 PolarHBondContact O-N 3.03Å; L438-L442 HydrophobicContact CG-CD1 4.11Å; L438-L442 WeakPolarHBondContact O-CD1 3.47Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.45Å; L438-L442 PolarHBondContact O-N 3.22Å; L438-A450 HydrophobicContact CD1-CB 4.12Å; L438-L454 HydrophobicContact CD1-CD1 4.24Å; L438-L454 HydrophobicContact CD1-CD2 4.39Å; L438-L454 HydrophobicContact CD1-CG 4.26Å; L438-L454 HydrophobicContact CD2-CD2 4.47Å; L438-F479 HydrophobicContact CD2-CD2 4.46Å; L438-F479 HydrophobicContact CD2-CE2 4.05Å; L438-F479 HydrophobicContact CD2-CZ 4.3Å; L438-C482 HydrophobicContact CB-CB 4.47Å; L438-C482 HydrophobicContact CD2-CB 3.59Å; L438-C482 HydrophobicContact CG-CB 3.96Å; L438-L483 HydrophobicContact CD2-CD2 3.96Å; L438-L483 HydrophobicContact CD2-CG 4.19Å; L438-L486 HydrophobicContact CD1-CD2 4.18Å |
| 439 | E | 85.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.8 | -169.7 | 177.3 | 159 | 0 | 0 | 112.4 | C399 T435 L436 Y437 Y441 L442 I443 R478 W485 R527 | C399-E439 HydrophobicContact CB-CG 4.39Å; T435-E439 WeakPolarHBondContact O-CB 3.45Å; T435-E439 PolarHBondContact O-N 3.34Å; L436-E439 PolarHBondContact O-N 3.43Å; Y437-E439 VanDerWaalsContact C-N 3.34Å; E439-Y441 PolarHBondContact O-N 3.24Å; E439-L442 WeakPolarHBondContact O-CB 3.42Å; E439-L442 PolarHBondContact O-N 2.92Å; E439-L442 VanDerWaalsContact O-N 3.14Å; E439-I443 HydrophobicContact CG-CD1 4.07Å; E439-I443 WeakPolarHBondContact O-CG1 3.37Å; E439-I443 PolarHBondContact O-N 3.1Å; E439-R478 IonicContact OE1-CZ 3.49Å; E439-R478 IonicContact OE1-NE 2.72Å; E439-R478 IonicContact OE1-NH2 3.64Å; E439-R478 PolarHBondContact OE1-NH2 3.07Å; E439-R478 IonicContact OE2-CZ 2.91Å; E439-R478 IonicContact OE2-NE 3.92Å; E439-R478 PolarHBondContact OE2-NE 2.71Å; E439-R478 IonicContact OE2-NH2 3.15Å; E439-R478 PolarHBondContact OE2-NH2 3.08Å; E439-W485 HydrophobicContact CG-CZ3 4.2Å; E439-R527 IonicContact OE1-CZ 3Å; E439-R527 VanDerWaalsContact OE1-CZ 3.31Å; E439-R527 IonicContact OE1-NE 2.92Å; E439-R527 PolarHBondContact OE1-NE 2.97Å; E439-R527 IonicContact OE1-NH2 2.71Å; E439-R527 PolarHBondContact OE1-NH2 3.2Å |
| 440 | Y | 83.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 178.4 | 169.7 | -99.9 | 0 | 0 | 0 | 112.5 | I398 D409 I412 L436 Y437 L438 L442 I443 V444 | I398-Y440 HydrophobicContact CG2-CD2 3.96Å; I398-Y440 HydrophobicContact CG2-CE2 4.1Å; D409-Y440 PolarHBondContact OD1-OH 3Å; I412-Y440 HydrophobicContact CB-CE1 4.18Å; I412-Y440 HydrophobicContact CD1-CD2 4.13Å; I412-Y440 HydrophobicContact CD1-CE1 4.17Å; I412-Y440 HydrophobicContact CD1-CE2 3.32Å; I412-Y440 VanDerWaalsContact CD1-OH 3.31Å; I412-Y440 WeakPolarHBondContact CD1-OH 3.48Å; I412-Y440 HydrophobicContact CG2-CD1 3.87Å; I412-Y440 HydrophobicContact CG2-CE1 3.47Å; I412-Y440 VanDerWaalsContact CG2-CE1 3.47Å; I412-Y440 HydrophobicContact CG2-CE2 4.47Å; I412-Y440 HydrophobicContact CG2-CG 4.49Å; L436-Y440 WeakPolarHBondContact O-CB 3.12Å; L436-Y440 PolarHBondContact O-N 2.91Å; Y437-Y440 PolarHBondContact O-N 2.91Å; L438-Y440 PolarHBondContact O-N 2.87Å; Y440-L442 PolarHBondContact O-N 3.28Å; Y440-I443 PolarHBondContact O-N 3.05Å; Y440-V444 HydrophobicContact CD2-CG2 4.18Å; Y440-V444 HydrophobicContact CE1-CG2 4.05Å; Y440-V444 HydrophobicContact CE2-CG2 3.6Å; Y440-V444 WeakPolarHBondContact O-CG2 3.32Å; Y440-V444 PolarHBondContact O-N 3.27Å |
| 441 | Y | 79.4 | Confident | 78.4 | Confident | 23 Ų | 23 | 29.4 Ų | 29.4 | 9% | 0.09 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -28.1 | 178.4 | -79.4 | -60.4 | 0 | 0 | 0 | 113.5 | Y437 L438 E439 N445 N446 A449 I453 | Y437-Y441 HydrophobicContact CD1-CD2 4.48Å; Y437-Y441 HydrophobicContact CD1-CE2 4.18Å; Y437-Y441 HydrophobicContact CD2-CE2 4.29Å; Y437-Y441 HydrophobicContact CE1-CD2 4.29Å; Y437-Y441 AromaticContact CE1-CE2 3.59Å; Y437-Y441 HydrophobicContact CE1-CE2 3.59Å; Y437-Y441 HydrophobicContact CE2-CD2 4.45Å; Y437-Y441 AromaticContact CE2-CE2 3.65Å; Y437-Y441 HydrophobicContact CE2-CE2 3.65Å; Y437-Y441 AromaticContact CZ-CE2 3.25Å; Y437-Y441 AromaticContact CZ-CZ 3.88Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.37Å; Y437-Y441 PolarHBondContact O-N 3.35Å; Y437-Y441 VanDerWaalsContact OH-CE2 3.28Å; Y437-Y441 WeakPolarHBondContact OH-CE2 3.3Å; Y437-Y441 PolarHBondContact OH-OH 3.49Å; L438-Y441 PolarHBondContact O-N 3.03Å; E439-Y441 PolarHBondContact O-N 3.24Å; Y441-N445 PolarHBondContact O-N 3.41Å; Y441-N446 HydrophobicContact CD1-CB 4.03Å; Y441-N446 PolarHBondContact O-N 3.09Å; Y441-A449 HydrophobicContact CD1-CB 3.71Å; Y441-A449 HydrophobicContact CD2-CB 4.47Å; Y441-A449 HydrophobicContact CE1-CB 3.58Å; Y441-A449 HydrophobicContact CE2-CB 4.34Å; Y441-A449 HydrophobicContact CG-CB 4.15Å; Y441-I453 HydrophobicContact CD2-CD1 3.6Å; Y441-I453 HydrophobicContact CE2-CD1 3.12Å |
| 442 | L | 81.3 | Confident | 78.7 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 172.8 | -69.2 | 166.3 | 0 | 0 | 0 | 111.5 | L438 E439 Y440 N445 L447 C482 W485 L486 | L438-L442 HydrophobicContact CG-CD1 4.11Å; L438-L442 WeakPolarHBondContact O-CD1 3.47Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.45Å; L438-L442 PolarHBondContact O-N 3.22Å; E439-L442 WeakPolarHBondContact O-CB 3.42Å; E439-L442 PolarHBondContact O-N 2.92Å; E439-L442 VanDerWaalsContact O-N 3.14Å; Y440-L442 PolarHBondContact O-N 3.28Å; L442-N445 PolarHBondContact O-N 3.46Å; L442-N445 VanDerWaalsContact O-N 3.1Å; L442-L447 HydrophobicContact CD2-CD2 4.21Å; L442-C482 HydrophobicContact CD1-CB 3.98Å; L442-C482 VanDerWaalsContact CD1-O 3.26Å; L442-C482 WeakPolarHBondContact CD1-O 3.25Å; L442-W485 HydrophobicContact CB-CD2 3.68Å; L442-W485 HydrophobicContact CB-CE3 3.6Å; L442-W485 HydrophobicContact CB-CG 4.46Å; L442-W485 HydrophobicContact CB-CH2 3.71Å; L442-W485 HydrophobicContact CB-CZ2 3.77Å; L442-W485 HydrophobicContact CB-CZ3 3.62Å; L442-W485 HydrophobicContact CD1-CB 4.05Å; L442-W485 HydrophobicContact CD1-CD2 3.81Å; L442-W485 HydrophobicContact CD1-CE3 3.65Å; L442-W485 HydrophobicContact CD1-CG 4.01Å; L442-W485 HydrophobicContact CD1-CZ3 4.39Å; L442-W485 HydrophobicContact CD2-CD2 4.25Å; L442-W485 HydrophobicContact CD2-CG 4.18Å; L442-W485 HydrophobicContact CG-CD2 4.13Å; L442-W485 HydrophobicContact CG-CE3 4.19Å; L442-W485 HydrophobicContact CG-CG 4.46Å; L442-L486 HydrophobicContact CD1-CB 4.42Å; L442-L486 HydrophobicContact CD2-CB 3.82Å; L442-L486 HydrophobicContact CD2-CD1 3.68Å; L442-L486 HydrophobicContact CD2-CG 4.36Å |
| 443 | I | 78.1 | Confident | 78.4 | Confident | 37 Ų | 37 | 30 Ų | 30 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.7 | -66.6 | 167.5 | 0 | 0 | 0 | 111 | C399 E439 Y440 N445 W485 | C399-I443 HydrophobicContact CB-CD1 4.08Å; E439-I443 HydrophobicContact CG-CD1 4.07Å; E439-I443 WeakPolarHBondContact O-CG1 3.37Å; E439-I443 PolarHBondContact O-N 3.1Å; Y440-I443 PolarHBondContact O-N 3.05Å; I443-N445 PolarHBondContact O-N 3.4Å; I443-W485 HydrophobicContact CG1-CH2 3.74Å; I443-W485 HydrophobicContact CG1-CZ3 4.22Å |
| 444 | V | 75.7 | Confident | 78.1 | Confident | 50 Ų | 50 | 29.9 Ų | 29.9 | 30% | 0.303 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -7.6 | 176 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | Y440 N446 | Y440-V444 HydrophobicContact CD2-CG2 4.18Å; Y440-V444 HydrophobicContact CE1-CG2 4.05Å; Y440-V444 HydrophobicContact CE2-CG2 3.6Å; Y440-V444 WeakPolarHBondContact O-CG2 3.32Å; Y440-V444 PolarHBondContact O-N 3.27Å; V444-N446 HydrophobicContact CG1-CB 4.42Å; V444-N446 PolarHBondContact O-N 3.34Å |
| 445 | N | 75.2 | Confident | 77.5 | Confident | 111 Ų | 111 | 36.1 Ų | 36.1 | 59% | 0.594 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 31.3 | -176.5 | -160.3 | 25.3 | 0 | 0 | 0 | 113.8 | Y441 L442 I443 L447 | Y441-N445 PolarHBondContact O-N 3.41Å; L442-N445 PolarHBondContact O-N 3.46Å; L442-N445 VanDerWaalsContact O-N 3.1Å; I443-N445 PolarHBondContact O-N 3.4Å; N445-L447 PolarHBondContact O-N 3.3Å |
| 446 | N | 80.1 | Confident | 76.8 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | trans | -95.1 | 80.2 | 174.5 | -172 | -14.9 | 0 | 0 | 0 | 109.9 | Y441 V444 E448 A449 A450 | Y441-N446 HydrophobicContact CD1-CB 4.03Å; Y441-N446 PolarHBondContact O-N 3.09Å; V444-N446 HydrophobicContact CG1-CB 4.42Å; V444-N446 PolarHBondContact O-N 3.34Å; N446-E448 VanDerWaalsContact C-N 3.34Å; N446-E448 PolarHBondContact O-N 2.89Å; N446-A449 HydrophobicContact CB-CB 4.34Å; N446-A449 PolarHBondContact O-N 3.47Å; N446-A449 WeakPolarHBondContact OD1-CB 3.47Å; N446-A449 PolarHBondContact OD1-N 3.38Å; N446-A450 PolarHBondContact O-N 3.3Å | ||
| 447 | L | 78.8 | Confident | 75.9 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -35.6 | -174.1 | -56.4 | 177.3 | 0 | 0 | 0 | 112.5 | L442 N445 A450 F451 L486 S489 | L442-L447 HydrophobicContact CD2-CD2 4.21Å; N445-L447 PolarHBondContact O-N 3.3Å; L447-A450 PolarHBondContact O-N 2.93Å; L447-F451 HydrophobicContact CB-CE2 4.36Å; L447-F451 WeakPolarHBondContact O-CD2 3.28Å; L447-F451 PolarHBondContact O-N 2.92Å; L447-L486 HydrophobicContact CD2-CD1 4.04Å; L447-S489 VanDerWaalsContact CD2-CB 3.45Å |
| 448 | E | 78.2 | Confident | 74.6 | Confident | 165 Ų | 165 | 53.4 Ų | 53.4 | 77% | 0.771 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 179 | -66.4 | -175.4 | 173.1 | 0 | 0 | 111.8 | N446 F451 S452 | N446-E448 VanDerWaalsContact C-N 3.34Å; N446-E448 PolarHBondContact O-N 2.89Å; E448-F451 PolarHBondContact O-N 2.79Å; E448-S452 WeakPolarHBondContact O-CB 3.26Å; E448-S452 PolarHBondContact O-N 3.48Å |
| 449 | A | 75 | Confident | 73.2 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y441 N446 F451 S452 I453 | Y441-A449 HydrophobicContact CD1-CB 3.71Å; Y441-A449 HydrophobicContact CD2-CB 4.47Å; Y441-A449 HydrophobicContact CE1-CB 3.58Å; Y441-A449 HydrophobicContact CE2-CB 4.34Å; Y441-A449 HydrophobicContact CG-CB 4.15Å; N446-A449 HydrophobicContact CB-CB 4.34Å; N446-A449 PolarHBondContact O-N 3.47Å; N446-A449 WeakPolarHBondContact OD1-CB 3.47Å; N446-A449 PolarHBondContact OD1-N 3.38Å; A449-F451 VanDerWaalsContact C-N 3.33Å; A449-F451 PolarHBondContact O-N 2.73Å; A449-S452 PolarHBondContact O-N 2.8Å; A449-S452 VanDerWaalsContact O-N 3.16Å; A449-S452 PolarHBondContact O-OG 3.35Å; A449-I453 VanDerWaalsContact O-CD1 3.25Å; A449-I453 WeakPolarHBondContact O-CD1 3.06Å; A449-I453 WeakPolarHBondContact O-CG1 3.03Å; A449-I453 PolarHBondContact O-N 3.1Å; A449-I453 VanDerWaalsContact O-N 3.11Å |
| 450 | A | 75.4 | Confident | 71.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.7 | -43.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L438 N446 L447 I453 L454 L486 | L438-A450 HydrophobicContact CD1-CB 4.12Å; N446-A450 PolarHBondContact O-N 3.3Å; L447-A450 PolarHBondContact O-N 2.93Å; A450-I453 PolarHBondContact O-N 2.82Å; A450-L454 PolarHBondContact O-N 2.69Å; A450-L486 HydrophobicContact CB-CD1 3.56Å; A450-L486 HydrophobicContact CB-CD2 4.36Å |
| 451 | F | 73.8 | Confident | 69.2 | Low | 28 Ų | 28 | 67.7 Ų | 67.7 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 175.4 | -79.6 | -61.3 | 0 | 0 | 0 | 113 | L447 E448 A449 I453 L454 E455 M465 L486 K490 | L447-F451 HydrophobicContact CB-CE2 4.36Å; L447-F451 WeakPolarHBondContact O-CD2 3.28Å; L447-F451 PolarHBondContact O-N 2.92Å; E448-F451 PolarHBondContact O-N 2.79Å; A449-F451 VanDerWaalsContact C-N 3.33Å; A449-F451 PolarHBondContact O-N 2.73Å; F451-I453 PolarHBondContact O-N 3.24Å; F451-I453 VanDerWaalsContact O-N 3.13Å; F451-L454 PolarHBondContact O-N 2.75Å; F451-E455 PolarHBondContact O-N 3.47Å; F451-E455 VanDerWaalsContact O-N 3.08Å; F451-M465 HydrophobicContact CD1-SD 4.19Å; F451-M465 HydrophobicContact CE1-CE 3.52Å; F451-M465 HydrophobicContact CE1-SD 3.4Å; F451-M465 WeakPolarHBondContact CE1-SD 3.49Å; F451-M465 HydrophobicContact CZ-CE 3.63Å; F451-M465 HydrophobicContact CZ-SD 4.11Å; F451-L486 HydrophobicContact CD1-CD2 3.96Å; F451-L486 HydrophobicContact CD2-CD1 4.41Å; F451-L486 HydrophobicContact CE1-CD1 4.41Å; F451-L486 HydrophobicContact CE1-CD2 3.53Å; F451-L486 HydrophobicContact CE1-CG 3.84Å; F451-L486 HydrophobicContact CE2-CD1 3.84Å; F451-L486 HydrophobicContact CE2-CD2 4.41Å; F451-L486 HydrophobicContact CE2-CG 4.08Å; F451-L486 HydrophobicContact CZ-CD1 3.81Å; F451-L486 HydrophobicContact CZ-CD2 3.74Å; F451-L486 HydrophobicContact CZ-CG 3.5Å; F451-L486 VanDerWaalsContact CZ-CG 3.5Å; F451-K490 HydrophobicContact CD2-CD 4.31Å; F451-K490 HydrophobicContact CE1-CD 4.07Å; F451-K490 HydrophobicContact CE2-CB 3.63Å; F451-K490 HydrophobicContact CE2-CD 3.44Å; F451-K490 VanDerWaalsContact CE2-CD 3.44Å; F451-K490 HydrophobicContact CE2-CG 3.5Å; F451-K490 VanDerWaalsContact CE2-CG 3.5Å; F451-K490 HydrophobicContact CZ-CB 3.59Å; F451-K490 HydrophobicContact CZ-CD 3.33Å; F451-K490 HydrophobicContact CZ-CG 3.73Å |
| 452 | S | 74.5 | Confident | 67.4 | Low | 47 Ų | 47 | 69.8 Ų | 69.8 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -28.9 | -179.6 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | E448 A449 K456 | E448-S452 WeakPolarHBondContact O-CB 3.26Å; E448-S452 PolarHBondContact O-N 3.48Å; A449-S452 PolarHBondContact O-N 2.8Å; A449-S452 VanDerWaalsContact O-N 3.16Å; A449-S452 PolarHBondContact O-OG 3.35Å; S452-K456 VanDerWaalsContact O-CG 3.31Å; S452-K456 WeakPolarHBondContact O-CG 3.14Å; S452-K456 PolarHBondContact O-N 2.77Å |
| 453 | I | 70.9 | Confident | 65.7 | Low | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -81.3 | -42.4 | -179.3 | -69.4 | 155.5 | 0 | 0 | 0 | 111.1 | Y437 Y441 A449 A450 F451 E455 K456 W457 | Y437-I453 HydrophobicContact CD1-CD1 4.05Å; Y437-I453 HydrophobicContact CD1-CG2 4.08Å; Y437-I453 HydrophobicContact CE1-CD1 3.27Å; Y437-I453 HydrophobicContact CE1-CG1 3.99Å; Y437-I453 HydrophobicContact CE1-CG2 4.01Å; Y441-I453 HydrophobicContact CD2-CD1 3.6Å; Y441-I453 HydrophobicContact CE2-CD1 3.12Å; A449-I453 VanDerWaalsContact O-CD1 3.25Å; A449-I453 WeakPolarHBondContact O-CD1 3.06Å; A449-I453 WeakPolarHBondContact O-CG1 3.03Å; A449-I453 PolarHBondContact O-N 3.1Å; A449-I453 VanDerWaalsContact O-N 3.11Å; A450-I453 PolarHBondContact O-N 2.82Å; F451-I453 PolarHBondContact O-N 3.24Å; F451-I453 VanDerWaalsContact O-N 3.13Å; I453-E455 VanDerWaalsContact C-N 3.26Å; I453-E455 PolarHBondContact O-N 3Å; I453-K456 WeakPolarHBondContact O-CB 3.36Å; I453-K456 PolarHBondContact O-N 3.27Å; I453-W457 HydrophobicContact CG2-CD2 3.83Å; I453-W457 VanDerWaalsContact CG2-CE2 3.44Å; I453-W457 HydrophobicContact CG2-CE3 4.1Å; I453-W457 HydrophobicContact CG2-CH2 3.61Å; I453-W457 HydrophobicContact CG2-CZ2 3.35Å; I453-W457 HydrophobicContact CG2-CZ3 3.98Å; I453-W457 PolarHBondContact O-N 3.49Å |
| 454 | L | 69.5 | Low | 64.4 | Low | 8 Ų | 8 | 76.4 Ų | 76.4 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 174.7 | -73.7 | 179.2 | 0 | 0 | 0 | 112.1 | L438 A450 F451 W457 F479 L483 L486 | L438-L454 HydrophobicContact CD1-CD1 4.24Å; L438-L454 HydrophobicContact CD1-CD2 4.39Å; L438-L454 HydrophobicContact CD1-CG 4.26Å; L438-L454 HydrophobicContact CD2-CD2 4.47Å; A450-L454 PolarHBondContact O-N 2.69Å; F451-L454 PolarHBondContact O-N 2.75Å; L454-W457 HydrophobicContact CD2-CE3 4.08Å; L454-W457 HydrophobicContact CD2-CZ3 4.25Å; L454-W457 PolarHBondContact O-N 2.86Å; L454-F479 HydrophobicContact CD2-CZ 4.01Å; L454-L483 HydrophobicContact CD1-CD2 3.72Å; L454-L483 HydrophobicContact CD2-CD2 3.85Å; L454-L483 HydrophobicContact CG-CD2 4.48Å; L454-L486 HydrophobicContact CD1-CD2 3.2Å; L454-L486 HydrophobicContact CG-CD2 4.38Å |
| 455 | E | 64.9 | Low | 63.4 | Low | 154 Ų | 154 | 77.3 Ų | 77.3 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 172.3 | -73.6 | -178.1 | 177.9 | 0 | 0 | 112 | F451 I453 K458 | F451-E455 PolarHBondContact O-N 3.47Å; F451-E455 VanDerWaalsContact O-N 3.08Å; I453-E455 VanDerWaalsContact C-N 3.26Å; I453-E455 PolarHBondContact O-N 3Å; E455-K458 PolarHBondContact O-N 2.92Å |
| 456 | K | 66.1 | Low | 62.4 | Low | 141 Ų | 141 | 76.5 Ų | 76.5 | 61% | 0.613 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.8 | -36.3 | 178.9 | -77.7 | 172.6 | -176.5 | 171.5 | 0 | 113.5 | S452 I453 K458 | S452-K456 VanDerWaalsContact O-CG 3.31Å; S452-K456 WeakPolarHBondContact O-CG 3.14Å; S452-K456 PolarHBondContact O-N 2.77Å; I453-K456 WeakPolarHBondContact O-CB 3.36Å; I453-K456 PolarHBondContact O-N 3.27Å; K456-K458 PolarHBondContact O-N 3.38Å |
| 457 | W | 65.4 | Low | 61.3 | Low | 49 Ų | 49 | 77.5 Ų | 77.5 | 19% | 0.186 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7.4 | -178.1 | -70.4 | -21.3 | 0 | 0 | 0 | 114.2 | Q434 Y437 I453 L454 I459 F479 | Q434-W457 HydrophobicContact CB-CE3 4.1Å; Q434-W457 HydrophobicContact CB-CH2 3.63Å; Q434-W457 HydrophobicContact CB-CZ2 4.12Å; Q434-W457 HydrophobicContact CB-CZ3 3.6Å; Q434-W457 HydrophobicContact CG-CD2 3.92Å; Q434-W457 HydrophobicContact CG-CE3 3.89Å; Q434-W457 HydrophobicContact CG-CH2 3.75Å; Q434-W457 HydrophobicContact CG-CZ2 3.73Å; Q434-W457 HydrophobicContact CG-CZ3 3.83Å; Q434-W457 VanDerWaalsContact O-CH2 3.3Å; Q434-W457 WeakPolarHBondContact O-CH2 3.32Å; Y437-W457 AromaticContact CD1-CH2 3.95Å; Y437-W457 HydrophobicContact CD1-CH2 3.95Å; Y437-W457 AromaticContact CD1-CZ2 3.8Å; Y437-W457 HydrophobicContact CD1-CZ2 3.8Å; I453-W457 HydrophobicContact CG2-CD2 3.83Å; I453-W457 VanDerWaalsContact CG2-CE2 3.44Å; I453-W457 HydrophobicContact CG2-CE3 4.1Å; I453-W457 HydrophobicContact CG2-CH2 3.61Å; I453-W457 HydrophobicContact CG2-CZ2 3.35Å; I453-W457 HydrophobicContact CG2-CZ3 3.98Å; I453-W457 PolarHBondContact O-N 3.49Å; L454-W457 HydrophobicContact CD2-CE3 4.08Å; L454-W457 HydrophobicContact CD2-CZ3 4.25Å; L454-W457 PolarHBondContact O-N 2.86Å; W457-I459 HydrophobicContact CB-CD1 4.12Å; W457-I459 HydrophobicContact CB-CG1 4.21Å; W457-I459 PolarHBondContact O-N 3.09Å; W457-F479 HydrophobicContact CE3-CE2 4.48Å; W457-F479 HydrophobicContact CE3-CZ 4.38Å; W457-F479 AromaticContact CZ3-CE2 3.92Å; W457-F479 HydrophobicContact CZ3-CE2 3.92Å; W457-F479 HydrophobicContact CZ3-CZ 4.21Å |
| 458 | K | 54 | Low | 60.4 | Low | 177 Ų | 177 | 79.8 Ų | 79.8 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | trans | 52.8 | 12.1 | -179.8 | -65.5 | -172.4 | 178.7 | -177.6 | 0 | 115.3 | E455 K456 H460 | E455-K458 PolarHBondContact O-N 2.92Å; K456-K458 PolarHBondContact O-N 3.38Å; K458-H460 PolarHBondContact O-N 3.3Å | ||
| 459 | I | 52.9 | Low | 59.5 | Low | 52 Ų | 52 | 73.1 Ų | 73.1 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | -66.2 | -22.1 | 173.2 | -63.5 | 171 | 0 | 0 | 0 | 110.2 | Q434 W457 H461 L475 | Q434-I459 VanDerWaalsContact OE1-CD1 3.24Å; W457-I459 HydrophobicContact CB-CD1 4.12Å; W457-I459 HydrophobicContact CB-CG1 4.21Å; W457-I459 PolarHBondContact O-N 3.09Å; I459-H461 PolarHBondContact O-N 3.06Å; I459-L475 HydrophobicContact CG2-CD2 4.33Å | ||
| 460 | H | 47.3 | Very low | 58.6 | Low | 82 Ų | 82 | 74.9 Ų | 74.9 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | trans | -78.4 | 80.2 | 169.6 | -76.3 | -80 | 0 | 0 | 0 | 112 | K458 G462 | K458-H460 PolarHBondContact O-N 3.3Å; H460-G462 PolarHBondContact O-N 3.28Å | ||
| 461 | H | 37.4 | Very low | 57.7 | Low | 178 Ų | 178 | 80.4 Ų | 80.4 | 82% | 0.824 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -64.9 | 82.1 | 148.3 | -80.7 | -69.2 | 0 | 0 | 0 | 108.6 | I459 C463 | I459-H461 PolarHBondContact O-N 3.06Å; H461-C463 VanDerWaalsContact C-N 3.31Å; H461-C463 PolarHBondContact O-N 3.13Å |
| 462 | G | 41.7 | Very low | 56.7 | Low | 67 Ų | 67 | 84 Ų | 84 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 67.6 | 0.9 | 157 | 0 | 0 | 0 | 0 | 0 | 119.9 | H460 Q464 | H460-G462 PolarHBondContact O-N 3.28Å; G462-Q464 PolarHBondContact O-N 3.49Å |
| 463 | C | 44.9 | Very low | 56.1 | Low | 39 Ų | 39 | 84.5 Ų | 84.5 | 26% | 0.264 | 44% | 0.442 | S | S | . | . | trans | -68.3 | 120.3 | 177.7 | -67.1 | 0 | 0 | 0 | 0 | 111 | H461 E467 | H461-C463 VanDerWaalsContact C-N 3.31Å; H461-C463 PolarHBondContact O-N 3.13Å; C463-E467 VanDerWaalsContact CA-OE2 3.26Å; C463-E467 WeakPolarHBondContact CA-OE2 3.13Å; C463-E467 HydrophobicContact CB-CB 4.45Å | ||
| 464 | Q | 51.4 | Low | 55.6 | Low | 141 Ų | 141 | 88.8 Ų | 88.8 | 66% | 0.659 | 47% | 0.465 | S | S | * | . | trans | -65.7 | 155.2 | 173.2 | -62.6 | -173.7 | 2.8 | 0 | 0 | 110.5 | G462 N466 E467 | G462-Q464 PolarHBondContact O-N 3.49Å; Q464-N466 PolarHBondContact O-N 3.26Å; Q464-E467 HydrophobicContact CB-CG 4.23Å; Q464-E467 PolarHBondContact N-OE2 3.09Å; Q464-E467 WeakPolarHBondContact O-CB 3.46Å; Q464-E467 PolarHBondContact O-N 2.92Å | ||
| 465 | M | 53 | Low | 55.7 | Low | 68 Ų | 68 | 89.4 Ų | 89.4 | 34% | 0.335 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -24.6 | -178.6 | -76.1 | -66.5 | -52.4 | 0 | 0 | 114.9 | F451 K487 K490 | F451-M465 HydrophobicContact CD1-SD 4.19Å; F451-M465 HydrophobicContact CE1-CE 3.52Å; F451-M465 HydrophobicContact CE1-SD 3.4Å; F451-M465 WeakPolarHBondContact CE1-SD 3.49Å; F451-M465 HydrophobicContact CZ-CE 3.63Å; F451-M465 HydrophobicContact CZ-SD 4.11Å; M465-K487 HydrophobicContact CE-CG 4.18Å; M465-K490 HydrophobicContact CE-CB 4.42Å; M465-K490 HydrophobicContact CE-CD 3.62Å; M465-K490 HydrophobicContact SD-CD 4.38Å |
| 466 | N | 54.8 | Low | 56.2 | Low | 95 Ų | 95 | 82.1 Ų | 82.1 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -1.1 | -178.9 | -64.6 | -12.3 | 0 | 0 | 0 | 113.7 | Q464 P507 | Q464-N466 PolarHBondContact O-N 3.26Å; N466-P507 VanDerWaalsContact O-CG 3.24Å; N466-P507 WeakPolarHBondContact O-CG 3.39Å |
| 467 | E | 58.3 | Low | 56.8 | Low | 90 Ų | 90 | 76.4 Ų | 76.4 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -92.4 | 147.6 | 179.3 | -69.3 | 176.2 | 161.6 | 0 | 0 | 111.8 | C463 Q464 K487 | C463-E467 VanDerWaalsContact CA-OE2 3.26Å; C463-E467 WeakPolarHBondContact CA-OE2 3.13Å; C463-E467 HydrophobicContact CB-CB 4.45Å; Q464-E467 HydrophobicContact CB-CG 4.23Å; Q464-E467 PolarHBondContact N-OE2 3.09Å; Q464-E467 WeakPolarHBondContact O-CB 3.46Å; Q464-E467 PolarHBondContact O-N 2.92Å; E467-K487 PolarHBondContact O-NZ 3.34Å |
| 468 | T | 58.8 | Low | 57.7 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 43% | 0.429 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -73 | 136.6 | 175.3 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | P470 P507 E511 | T468-P470 WeakPolarHBondContact O-CD 3.42Å; T468-P507 HydrophobicContact CG2-CB 3.91Å; T468-P507 WeakPolarHBondContact CG2-O 3.38Å; T468-E511 HydrophobicContact CG2-CB 4.21Å |
| 469 | V | 60.1 | Low | 59.1 | Low | 25 Ų | 25 | 66 Ų | 66 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 126.8 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 109 | N471 I473 L475 L483 E511 | V469-N471 PolarHBondContact O-N 3.04Å; V469-I473 HydrophobicContact CG1-CD1 4.19Å; V469-L475 HydrophobicContact CG1-CD1 3.87Å; V469-L483 HydrophobicContact CG2-CD1 4.31Å; V469-E511 VanDerWaalsContact CB-OE1 3.31Å; V469-E511 WeakPolarHBondContact CB-OE1 3.33Å; V469-E511 VanDerWaalsContact CG2-OE1 3.28Å; V469-E511 WeakPolarHBondContact CG2-OE1 3.3Å; V469-E511 PolarHBondContact N-OE1 2.83Å |
| 470 | P | 55.1 | Low | 60.3 | Low | 53 Ų | 53 | 65.3 Ų | 65.3 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 133 | 177.5 | -21.6 | 31.4 | 0 | 0 | 0 | 111.3 | T468 S472 I473 | T468-P470 WeakPolarHBondContact O-CD 3.42Å; P470-S472 WeakPolarHBondContact CB-OG 3.11Å; P470-S472 PolarHBondContact O-N 2.78Å; P470-I473 PolarHBondContact O-N 2.65Å; P470-I473 VanDerWaalsContact O-N 3.11Å |
| 471 | N | 57.1 | Low | 62 | Low | 118 Ų | 118 | 61.5 Ų | 61.5 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16 | 175.6 | -85.3 | -26.5 | 0 | 0 | 0 | 113.9 | V469 I473 R480 | V469-N471 PolarHBondContact O-N 3.04Å; N471-I473 PolarHBondContact O-N 2.82Å; N471-R480 PolarHBondContact O-NH2 2.78Å; N471-R480 PolarHBondContact OD1-NH1 2.88Å |
| 472 | S | 53.2 | Low | 64.3 | Low | 104 Ų | 104 | 53 Ų | 53 | 73% | 0.727 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15 | 176.2 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | P470 | P470-S472 WeakPolarHBondContact CB-OG 3.11Å; P470-S472 PolarHBondContact O-N 2.78Å |
| 473 | I | 60.6 | Low | 66.2 | Low | 56 Ų | 56 | 50.3 Ų | 50.3 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -87.4 | 112 | 175.2 | -50 | 179.3 | 0 | 0 | 0 | 107.8 | V469 P470 N471 L475 R480 | V469-I473 HydrophobicContact CG1-CD1 4.19Å; P470-I473 PolarHBondContact O-N 2.65Å; P470-I473 VanDerWaalsContact O-N 3.11Å; N471-I473 PolarHBondContact O-N 2.82Å; I473-L475 VanDerWaalsContact C-N 3.35Å; I473-L475 HydrophobicContact CB-CG 4.35Å; I473-L475 HydrophobicContact CG2-CD1 4.18Å; I473-L475 HydrophobicContact CG2-CD2 3.92Å; I473-L475 HydrophobicContact CG2-CG 3.74Å; I473-L475 PolarHBondContact O-N 3.44Å; I473-R480 PolarHBondContact O-NH2 3.32Å |
| 474 | D | 61.5 | Low | 67.9 | Low | 97 Ų | 97 | 48.5 Ų | 48.5 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | trans | -67 | 92 | 173.6 | -76.8 | -28.9 | 0 | 0 | 0 | 109.2 | K179 | K179-D474 WeakPolarHBondContact CE-OD2 3.47Å; K179-D474 IonicContact NZ-OD2 3.78Å; K179-D474 PolarHBondContact NZ-OD2 3.3Å | ||
| 475 | L | 71.8 | Confident | 69.5 | Low | 21 Ų | 21 | 42.1 Ų | 42.1 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | trans | -111.7 | 147.4 | 174 | -63.5 | 170.7 | 0 | 0 | 0 | 108.4 | I459 V469 I473 F479 R480 L483 | I459-L475 HydrophobicContact CG2-CD2 4.33Å; V469-L475 HydrophobicContact CG1-CD1 3.87Å; I473-L475 VanDerWaalsContact C-N 3.35Å; I473-L475 HydrophobicContact CB-CG 4.35Å; I473-L475 HydrophobicContact CG2-CD1 4.18Å; I473-L475 HydrophobicContact CG2-CD2 3.92Å; I473-L475 HydrophobicContact CG2-CG 3.74Å; I473-L475 PolarHBondContact O-N 3.44Å; L475-F479 HydrophobicContact CB-CD1 4.28Å; L475-F479 HydrophobicContact CD1-CD1 4.08Å; L475-F479 HydrophobicContact CD1-CE1 4.43Å; L475-F479 HydrophobicContact CD2-CD1 3.8Å; L475-F479 HydrophobicContact CD2-CE1 3.99Å; L475-F479 HydrophobicContact CG-CD1 4.26Å; L475-R480 HydrophobicContact CB-CG 3.74Å; L475-R480 HydrophobicContact CD1-CG 4.13Å; L475-L483 HydrophobicContact CD1-CD1 4.06Å | ||
| 476 | S | 75.8 | Confident | 71 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | trans | -59.9 | 146.8 | 173.2 | 77.1 | 0 | 0 | 0 | 0 | 110.4 | L176 T435 R478 F479 R480 | L176-S476 VanDerWaalsContact C-CB 3.49Å; L176-S476 WeakPolarHBondContact O-CB 3.17Å; T435-S476 PolarHBondContact OG1-OG 2.98Å; T435-S476 VanDerWaalsContact OG1-OG 3.08Å; S476-R478 PolarHBondContact O-N 3.02Å; S476-F479 PolarHBondContact O-N 3.15Å; S476-F479 VanDerWaalsContact O-N 3.14Å; S476-F479 WeakPolarHBondContact OG-CB 3.23Å; S476-F479 PolarHBondContact OG-N 2.97Å; S476-R480 PolarHBondContact O-N 3.25Å; S476-R480 VanDerWaalsContact O-N 3.12Å | ||
| 477 | P | 77 | Confident | 72.2 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 14% | 0.143 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51 | -45.3 | 176.7 | -27 | 32.1 | 0 | 0 | 0 | 112.3 | S175 R480 I481 V523 Y528 | S175-P477 WeakPolarHBondContact O-CD 3.36Å; P477-R480 PolarHBondContact O-N 3.41Å; P477-I481 PolarHBondContact O-N 3.43Å; P477-V523 HydrophobicContact CB-CG2 4.18Å; P477-V523 HydrophobicContact CG-CG2 3.89Å; P477-Y528 VanDerWaalsContact C-CE2 3.49Å; P477-Y528 HydrophobicContact CB-CD2 4.27Å; P477-Y528 HydrophobicContact CB-CE2 3.6Å; P477-Y528 WeakPolarHBondContact O-CE2 3.24Å |
| 478 | R | 85.1 | Confident | 73 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.9 | -33.9 | -178.7 | -171.3 | 166.2 | 169.4 | 176 | -0.9 | 112.3 | D173 S175 L176 T435 E439 S476 I481 C482 R527 Y528 L531 | D173-R478 IonicContact OD2-CZ 2.64Å; D173-R478 IonicContact OD2-NH1 3.04Å; D173-R478 PolarHBondContact OD2-NH1 3.09Å; S175-R478 VanDerWaalsContact O-CB 3.27Å; S175-R478 WeakPolarHBondContact O-CB 3.26Å; S175-R478 PolarHBondContact O-N 3.17Å; S175-R478 WeakPolarHBondContact OG-CD 3.29Å; L176-R478 HydrophobicContact CD2-CB 4.44Å; L176-R478 HydrophobicContact CD2-CG 4.31Å; T435-R478 HydrophobicContact CG2-CB 3.76Å; T435-R478 HydrophobicContact CG2-CG 3.62Å; E439-R478 IonicContact OE1-CZ 3.49Å; E439-R478 IonicContact OE1-NE 2.72Å; E439-R478 IonicContact OE1-NH2 3.64Å; E439-R478 PolarHBondContact OE1-NH2 3.07Å; E439-R478 IonicContact OE2-CZ 2.91Å; E439-R478 IonicContact OE2-NE 3.92Å; E439-R478 PolarHBondContact OE2-NE 2.71Å; E439-R478 IonicContact OE2-NH2 3.15Å; E439-R478 PolarHBondContact OE2-NH2 3.08Å; S476-R478 PolarHBondContact O-N 3.02Å; R478-I481 PolarHBondContact O-N 3.39Å; R478-C482 PolarHBondContact O-N 3.15Å; R478-C482 PolarHBondContact O-SG 3.05Å; R478-C482 VanDerWaalsContact O-SG 3.33Å; R478-R527 VanDerWaalsContact NH1-CG 3.34Å; R478-Y528 HydrophobicContact CB-CD2 4.33Å; R478-L531 HydrophobicContact CG-CD1 3.89Å |
| 479 | F | 82.9 | Confident | 74 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.9 | -166.1 | -99 | 0 | 0 | 0 | 111.9 | Q434 T435 L438 L454 W457 L475 S476 I481 C482 L483 | Q434-F479 HydrophobicContact CB-CD2 4.34Å; Q434-F479 HydrophobicContact CB-CE2 3.88Å; T435-F479 HydrophobicContact CG2-CB 4.21Å; T435-F479 WeakPolarHBondContact OG1-CB 3.34Å; L438-F479 HydrophobicContact CD2-CD2 4.46Å; L438-F479 HydrophobicContact CD2-CE2 4.05Å; L438-F479 HydrophobicContact CD2-CZ 4.3Å; L454-F479 HydrophobicContact CD2-CZ 4.01Å; W457-F479 HydrophobicContact CE3-CE2 4.48Å; W457-F479 HydrophobicContact CE3-CZ 4.38Å; W457-F479 AromaticContact CZ3-CE2 3.92Å; W457-F479 HydrophobicContact CZ3-CE2 3.92Å; W457-F479 HydrophobicContact CZ3-CZ 4.21Å; L475-F479 HydrophobicContact CB-CD1 4.28Å; L475-F479 HydrophobicContact CD1-CD1 4.08Å; L475-F479 HydrophobicContact CD1-CE1 4.43Å; L475-F479 HydrophobicContact CD2-CD1 3.8Å; L475-F479 HydrophobicContact CD2-CE1 3.99Å; L475-F479 HydrophobicContact CG-CD1 4.26Å; S476-F479 PolarHBondContact O-N 3.15Å; S476-F479 VanDerWaalsContact O-N 3.14Å; S476-F479 WeakPolarHBondContact OG-CB 3.23Å; S476-F479 PolarHBondContact OG-N 2.97Å; F479-I481 VanDerWaalsContact C-N 3.29Å; F479-I481 PolarHBondContact O-N 3.43Å; F479-C482 PolarHBondContact O-N 2.84Å; F479-L483 HydrophobicContact CD1-CD1 3.66Å; F479-L483 HydrophobicContact CD1-CG 3.97Å; F479-L483 HydrophobicContact CE1-CD1 3.55Å; F479-L483 HydrophobicContact CE1-CD2 4.03Å; F479-L483 HydrophobicContact CE1-CG 3.8Å; F479-L483 HydrophobicContact CZ-CD2 4.34Å; F479-L483 HydrophobicContact CZ-CG 4.47Å; F479-L483 WeakPolarHBondContact O-CG 3.5Å; F479-L483 PolarHBondContact O-N 3.47Å |
| 480 | R | 78.8 | Confident | 74.7 | Confident | 37 Ų | 37 | 30.3 Ų | 30.3 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 177.6 | -68.1 | -170.9 | -178.8 | -169.2 | -3.1 | 111.7 | N471 I473 L475 S476 P477 L483 I484 L515 | N471-R480 PolarHBondContact O-NH2 2.78Å; N471-R480 PolarHBondContact OD1-NH1 2.88Å; I473-R480 PolarHBondContact O-NH2 3.32Å; L475-R480 HydrophobicContact CB-CG 3.74Å; L475-R480 HydrophobicContact CD1-CG 4.13Å; S476-R480 PolarHBondContact O-N 3.25Å; S476-R480 VanDerWaalsContact O-N 3.12Å; P477-R480 PolarHBondContact O-N 3.41Å; R480-L483 PolarHBondContact O-N 3.46Å; R480-I484 WeakPolarHBondContact O-CG1 3.34Å; R480-I484 PolarHBondContact O-N 3.03Å; R480-I484 VanDerWaalsContact O-N 3.11Å; R480-L515 HydrophobicContact CB-CD1 3.98Å; R480-L515 HydrophobicContact CB-CD2 4.28Å |
| 481 | I | 83.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 174.5 | -73.5 | -161.3 | 0 | 0 | 0 | 111.7 | P477 R478 F479 L483 I484 W485 Y528 L531 I532 I535 | P477-I481 PolarHBondContact O-N 3.43Å; R478-I481 PolarHBondContact O-N 3.39Å; F479-I481 VanDerWaalsContact C-N 3.29Å; F479-I481 PolarHBondContact O-N 3.43Å; I481-L483 VanDerWaalsContact C-N 3.28Å; I481-L483 PolarHBondContact O-N 3.39Å; I481-I484 PolarHBondContact O-N 2.89Å; I481-I484 VanDerWaalsContact O-N 3.15Å; I481-W485 PolarHBondContact O-N 3.04Å; I481-Y528 HydrophobicContact CB-CE2 4.45Å; I481-Y528 HydrophobicContact CD1-CD2 3.63Å; I481-Y528 HydrophobicContact CD1-CE1 4.14Å; I481-Y528 HydrophobicContact CD1-CE2 3.06Å; I481-Y528 HydrophobicContact CD1-CG 4.33Å; I481-Y528 HydrophobicContact CG1-CD2 4.39Å; I481-Y528 HydrophobicContact CG1-CE2 3.59Å; I481-L531 HydrophobicContact CG2-CB 3.73Å; I481-L531 HydrophobicContact CG2-CD1 4.4Å; I481-I532 HydrophobicContact CD1-CD1 4.01Å; I481-I532 HydrophobicContact CD1-CG1 3.35Å; I481-I535 HydrophobicContact CG2-CD1 3.53Å; I481-I535 WeakPolarHBondContact O-CD1 3.3Å |
| 482 | C | 85 | Confident | 76.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 176.9 | -68 | 0 | 0 | 0 | 0 | 112.3 | L438 L442 R478 F479 W485 L486 | L438-C482 HydrophobicContact CB-CB 4.47Å; L438-C482 HydrophobicContact CD2-CB 3.59Å; L438-C482 HydrophobicContact CG-CB 3.96Å; L442-C482 HydrophobicContact CD1-CB 3.98Å; L442-C482 VanDerWaalsContact CD1-O 3.26Å; L442-C482 WeakPolarHBondContact CD1-O 3.25Å; R478-C482 PolarHBondContact O-N 3.15Å; R478-C482 PolarHBondContact O-SG 3.05Å; R478-C482 VanDerWaalsContact O-SG 3.33Å; F479-C482 PolarHBondContact O-N 2.84Å; C482-W485 PolarHBondContact O-N 2.99Å; C482-L486 PolarHBondContact O-N 3.37Å |
| 483 | L | 82 | Confident | 76.9 | Confident | 11 Ų | 11 | 23.3 Ų | 23.3 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.2 | -72.4 | 173 | 0 | 0 | 0 | 112 | L438 L454 V469 L475 F479 R480 I481 W485 L486 K487 | L438-L483 HydrophobicContact CD2-CD2 3.96Å; L438-L483 HydrophobicContact CD2-CG 4.19Å; L454-L483 HydrophobicContact CD1-CD2 3.72Å; L454-L483 HydrophobicContact CD2-CD2 3.85Å; L454-L483 HydrophobicContact CG-CD2 4.48Å; V469-L483 HydrophobicContact CG2-CD1 4.31Å; L475-L483 HydrophobicContact CD1-CD1 4.06Å; F479-L483 HydrophobicContact CD1-CD1 3.66Å; F479-L483 HydrophobicContact CD1-CG 3.97Å; F479-L483 HydrophobicContact CE1-CD1 3.55Å; F479-L483 HydrophobicContact CE1-CD2 4.03Å; F479-L483 HydrophobicContact CE1-CG 3.8Å; F479-L483 HydrophobicContact CZ-CD2 4.34Å; F479-L483 HydrophobicContact CZ-CG 4.47Å; F479-L483 WeakPolarHBondContact O-CG 3.5Å; F479-L483 PolarHBondContact O-N 3.47Å; R480-L483 PolarHBondContact O-N 3.46Å; I481-L483 VanDerWaalsContact C-N 3.28Å; I481-L483 PolarHBondContact O-N 3.39Å; L483-W485 VanDerWaalsContact C-N 3.35Å; L483-L486 PolarHBondContact O-N 2.77Å; L483-K487 WeakPolarHBondContact O-CG 3.3Å; L483-K487 PolarHBondContact O-N 3.29Å |
| 484 | I | 80.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.4 | -67.8 | 171 | 0 | 0 | 0 | 110 | R480 I481 L486 K487 V488 I508 E511 F512 L515 I535 | R480-I484 WeakPolarHBondContact O-CG1 3.34Å; R480-I484 PolarHBondContact O-N 3.03Å; R480-I484 VanDerWaalsContact O-N 3.11Å; I481-I484 PolarHBondContact O-N 2.89Å; I481-I484 VanDerWaalsContact O-N 3.15Å; I484-L486 VanDerWaalsContact C-N 3.33Å; I484-L486 PolarHBondContact O-N 2.93Å; I484-K487 PolarHBondContact O-N 3.45Å; I484-V488 HydrophobicContact CG2-CG2 4.24Å; I484-V488 VanDerWaalsContact O-CG2 3.28Å; I484-V488 WeakPolarHBondContact O-CG2 2.98Å; I484-V488 PolarHBondContact O-N 3.49Å; I484-I508 HydrophobicContact CG2-CG2 4.3Å; I484-E511 HydrophobicContact CD1-CG 4.21Å; I484-F512 HydrophobicContact CD1-CB 4.06Å; I484-F512 HydrophobicContact CD1-CD2 4.07Å; I484-F512 HydrophobicContact CG2-CB 4.31Å; I484-F512 HydrophobicContact CG2-CD2 4.14Å; I484-L515 HydrophobicContact CD1-CD1 3.31Å; I484-I535 HydrophobicContact CG2-CD1 4.4Å; I484-I535 HydrophobicContact CG2-CG2 4.27Å |
| 485 | W | 85.3 | Confident | 77.1 | Confident | 8 Ų | 8 | 21.7 Ų | 21.7 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 175.3 | -177 | 10.7 | 0 | 0 | 0 | 111.3 | E439 L442 I443 I481 C482 L483 K487 V488 S489 L531 Y534 I535 M538 | E439-W485 HydrophobicContact CG-CZ3 4.2Å; L442-W485 HydrophobicContact CB-CD2 3.68Å; L442-W485 HydrophobicContact CB-CE3 3.6Å; L442-W485 HydrophobicContact CB-CG 4.46Å; L442-W485 HydrophobicContact CB-CH2 3.71Å; L442-W485 HydrophobicContact CB-CZ2 3.77Å; L442-W485 HydrophobicContact CB-CZ3 3.62Å; L442-W485 HydrophobicContact CD1-CB 4.05Å; L442-W485 HydrophobicContact CD1-CD2 3.81Å; L442-W485 HydrophobicContact CD1-CE3 3.65Å; L442-W485 HydrophobicContact CD1-CG 4.01Å; L442-W485 HydrophobicContact CD1-CZ3 4.39Å; L442-W485 HydrophobicContact CD2-CD2 4.25Å; L442-W485 HydrophobicContact CD2-CG 4.18Å; L442-W485 HydrophobicContact CG-CD2 4.13Å; L442-W485 HydrophobicContact CG-CE3 4.19Å; L442-W485 HydrophobicContact CG-CG 4.46Å; I443-W485 HydrophobicContact CG1-CH2 3.74Å; I443-W485 HydrophobicContact CG1-CZ3 4.22Å; I481-W485 PolarHBondContact O-N 3.04Å; C482-W485 PolarHBondContact O-N 2.99Å; L483-W485 VanDerWaalsContact C-N 3.35Å; W485-K487 PolarHBondContact O-N 2.88Å; W485-V488 PolarHBondContact O-N 3.26Å; W485-S489 PolarHBondContact NE1-OG 3.26Å; W485-S489 WeakPolarHBondContact O-CB 3.11Å; W485-S489 PolarHBondContact O-N 2.92Å; W485-S489 PolarHBondContact O-OG 3.11Å; W485-S489 VanDerWaalsContact O-OG 3.12Å; W485-L531 HydrophobicContact CE3-CD2 4.25Å; W485-L531 HydrophobicContact CZ3-CD2 3.95Å; W485-Y534 HydrophobicContact CD2-CE1 4.46Å; W485-Y534 AromaticContact CE2-CE1 3.59Å; W485-Y534 HydrophobicContact CH2-CE1 4.17Å; W485-Y534 HydrophobicContact CZ2-CD1 4.11Å; W485-Y534 AromaticContact CZ2-CE1 3.44Å; W485-Y534 HydrophobicContact CZ2-CE1 3.44Å; W485-Y534 VanDerWaalsContact CZ2-CE1 3.44Å; W485-Y534 AromaticContact NE1-CE1 3.74Å; W485-I535 HydrophobicContact CB-CD1 3.77Å; W485-I535 HydrophobicContact CB-CG1 3.97Å; W485-I535 HydrophobicContact CG-CG1 4.33Å; W485-M538 PolarHBondContact NE1-SD 3.41Å |
| 486 | L | 83.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.4 | -175.9 | 69.7 | 0 | 0 | 0 | 112.7 | L438 L442 L447 A450 F451 L454 C482 L483 I484 V488 S489 K490 | L438-L486 HydrophobicContact CD1-CD2 4.18Å; L442-L486 HydrophobicContact CD1-CB 4.42Å; L442-L486 HydrophobicContact CD2-CB 3.82Å; L442-L486 HydrophobicContact CD2-CD1 3.68Å; L442-L486 HydrophobicContact CD2-CG 4.36Å; L447-L486 HydrophobicContact CD2-CD1 4.04Å; A450-L486 HydrophobicContact CB-CD1 3.56Å; A450-L486 HydrophobicContact CB-CD2 4.36Å; F451-L486 HydrophobicContact CD1-CD2 3.96Å; F451-L486 HydrophobicContact CD2-CD1 4.41Å; F451-L486 HydrophobicContact CE1-CD1 4.41Å; F451-L486 HydrophobicContact CE1-CD2 3.53Å; F451-L486 HydrophobicContact CE1-CG 3.84Å; F451-L486 HydrophobicContact CE2-CD1 3.84Å; F451-L486 HydrophobicContact CE2-CD2 4.41Å; F451-L486 HydrophobicContact CE2-CG 4.08Å; F451-L486 HydrophobicContact CZ-CD1 3.81Å; F451-L486 HydrophobicContact CZ-CD2 3.74Å; F451-L486 HydrophobicContact CZ-CG 3.5Å; F451-L486 VanDerWaalsContact CZ-CG 3.5Å; L454-L486 HydrophobicContact CD1-CD2 3.2Å; L454-L486 HydrophobicContact CG-CD2 4.38Å; C482-L486 PolarHBondContact O-N 3.37Å; L483-L486 PolarHBondContact O-N 2.77Å; I484-L486 VanDerWaalsContact C-N 3.33Å; I484-L486 PolarHBondContact O-N 2.93Å; L486-V488 VanDerWaalsContact C-N 3.31Å; L486-V488 PolarHBondContact O-N 2.88Å; L486-S489 PolarHBondContact O-N 3.15Å; L486-K490 PolarHBondContact O-N 3.42Å |
| 487 | K | 79.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 177.7 | -71.1 | -179.1 | -170.3 | -177.3 | 0 | 110.7 | M465 E467 L483 I484 W485 F491 I508 E511 | M465-K487 HydrophobicContact CE-CG 4.18Å; E467-K487 PolarHBondContact O-NZ 3.34Å; L483-K487 WeakPolarHBondContact O-CG 3.3Å; L483-K487 PolarHBondContact O-N 3.29Å; I484-K487 PolarHBondContact O-N 3.45Å; W485-K487 PolarHBondContact O-N 2.88Å; K487-F491 WeakPolarHBondContact O-CB 3.43Å; K487-F491 PolarHBondContact O-N 3.44Å; K487-F491 VanDerWaalsContact O-N 3.15Å; K487-I508 HydrophobicContact CB-CD1 4.13Å; K487-I508 HydrophobicContact CB-CG2 4.4Å; K487-I508 HydrophobicContact CD-CD1 4.35Å; K487-I508 HydrophobicContact CD-CG1 4.18Å; K487-E511 IonicContact NZ-OE1 3.65Å; K487-E511 PolarHBondContact NZ-OE1 2.92Å; K487-E511 IonicContact NZ-OE2 3.19Å; K487-E511 PolarHBondContact NZ-OE2 3.18Å |
| 488 | V | 76.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | I484 W485 L486 K490 F491 I492 I504 I508 M538 F539 | I484-V488 HydrophobicContact CG2-CG2 4.24Å; I484-V488 VanDerWaalsContact O-CG2 3.28Å; I484-V488 WeakPolarHBondContact O-CG2 2.98Å; I484-V488 PolarHBondContact O-N 3.49Å; W485-V488 PolarHBondContact O-N 3.26Å; L486-V488 VanDerWaalsContact C-N 3.31Å; L486-V488 PolarHBondContact O-N 2.88Å; V488-K490 PolarHBondContact O-N 3.28Å; V488-F491 WeakPolarHBondContact O-CB 3.27Å; V488-F491 PolarHBondContact O-N 3.48Å; V488-F491 VanDerWaalsContact O-N 3.14Å; V488-I492 HydrophobicContact CG1-CD1 3.89Å; V488-I492 HydrophobicContact CG1-CG1 4.44Å; V488-I492 WeakPolarHBondContact O-CG1 3.35Å; V488-I492 PolarHBondContact O-N 3.32Å; V488-I504 HydrophobicContact CG1-CD1 4.3Å; V488-I508 HydrophobicContact CG2-CG2 4.23Å; V488-M538 HydrophobicContact CB-CE 4.24Å; V488-M538 HydrophobicContact CG1-CB 4.42Å; V488-M538 HydrophobicContact CG1-CE 3.7Å; V488-F539 HydrophobicContact CG2-CE1 3.86Å; V488-F539 HydrophobicContact CG2-CE2 4.29Å; V488-F539 HydrophobicContact CG2-CZ 3.59Å |
| 489 | S | 79.1 | Confident | 72.5 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.7 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | L447 W485 L486 F491 I492 S493 M538 | L447-S489 VanDerWaalsContact CD2-CB 3.45Å; W485-S489 PolarHBondContact NE1-OG 3.26Å; W485-S489 WeakPolarHBondContact O-CB 3.11Å; W485-S489 PolarHBondContact O-N 2.92Å; W485-S489 PolarHBondContact O-OG 3.11Å; W485-S489 VanDerWaalsContact O-OG 3.12Å; L486-S489 PolarHBondContact O-N 3.15Å; S489-F491 VanDerWaalsContact C-N 3.34Å; S489-F491 PolarHBondContact O-N 3.44Å; S489-I492 PolarHBondContact O-N 3.48Å; S489-S493 PolarHBondContact O-N 2.86Å; S489-M538 VanDerWaalsContact OG-CE 3.25Å; S489-M538 WeakPolarHBondContact OG-CE 3.38Å |
| 490 | K | 74.9 | Confident | 70.6 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 30% | 0.3 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 173.5 | -163.2 | -166.4 | -153.2 | 144.9 | 0 | 110.8 | F451 M465 L486 V488 I492 S493 T494 | F451-K490 HydrophobicContact CD2-CD 4.31Å; F451-K490 HydrophobicContact CE1-CD 4.07Å; F451-K490 HydrophobicContact CE2-CB 3.63Å; F451-K490 HydrophobicContact CE2-CD 3.44Å; F451-K490 VanDerWaalsContact CE2-CD 3.44Å; F451-K490 HydrophobicContact CE2-CG 3.5Å; F451-K490 VanDerWaalsContact CE2-CG 3.5Å; F451-K490 HydrophobicContact CZ-CB 3.59Å; F451-K490 HydrophobicContact CZ-CD 3.33Å; F451-K490 HydrophobicContact CZ-CG 3.73Å; M465-K490 HydrophobicContact CE-CB 4.42Å; M465-K490 HydrophobicContact CE-CD 3.62Å; M465-K490 HydrophobicContact SD-CD 4.38Å; L486-K490 PolarHBondContact O-N 3.42Å; V488-K490 PolarHBondContact O-N 3.28Å; K490-I492 VanDerWaalsContact C-N 3.31Å; K490-I492 PolarHBondContact O-N 3.35Å; K490-S493 WeakPolarHBondContact CA-OG 3.28Å; K490-S493 PolarHBondContact O-N 2.92Å; K490-S493 VanDerWaalsContact O-N 3.14Å; K490-S493 PolarHBondContact O-OG 3.17Å; K490-T494 PolarHBondContact O-N 3.43Å; K490-T494 PolarHBondContact O-OG1 3.24Å |
| 491 | F | 70 | Confident | 69.3 | Low | 30 Ų | 30 | 54.4 Ų | 54.4 | 13% | 0.132 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 179 | -171.6 | -91.1 | 0 | 0 | 0 | 112.1 | K487 V488 S489 T494 K495 T502 T503 I504 P505 | K487-F491 WeakPolarHBondContact O-CB 3.43Å; K487-F491 PolarHBondContact O-N 3.44Å; K487-F491 VanDerWaalsContact O-N 3.15Å; V488-F491 WeakPolarHBondContact O-CB 3.27Å; V488-F491 PolarHBondContact O-N 3.48Å; V488-F491 VanDerWaalsContact O-N 3.14Å; S489-F491 VanDerWaalsContact C-N 3.34Å; S489-F491 PolarHBondContact O-N 3.44Å; F491-T494 WeakPolarHBondContact CA-OG1 3.43Å; F491-T494 PolarHBondContact O-N 3.18Å; F491-T494 PolarHBondContact O-OG1 2.91Å; F491-K495 HydrophobicContact CE1-CD 4.42Å; F491-K495 HydrophobicContact CE1-CG 4.4Å; F491-K495 PolarHBondContact O-N 2.98Å; F491-T502 WeakPolarHBondContact CE1-O 3.3Å; F491-T502 VanDerWaalsContact CZ-O 3.25Å; F491-T502 WeakPolarHBondContact CZ-O 3.49Å; F491-T503 VanDerWaalsContact CZ-C 3.5Å; F491-T503 VanDerWaalsContact CZ-O 3.23Å; F491-T503 WeakPolarHBondContact CZ-O 3.35Å; F491-I504 HydrophobicContact CD1-CB 4.34Å; F491-I504 HydrophobicContact CD1-CG1 3.67Å; F491-I504 HydrophobicContact CE1-CB 4.25Å; F491-I504 HydrophobicContact CE1-CG1 3.71Å; F491-P505 HydrophobicContact CD2-CG 4.48Å; F491-P505 HydrophobicContact CE2-CG 4.36Å |
| 492 | I | 70.3 | Confident | 67.7 | Low | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.7 | -66.3 | 169.7 | 0 | 0 | 0 | 111 | V488 S489 K490 T494 K495 L496 M538 | V488-I492 HydrophobicContact CG1-CD1 3.89Å; V488-I492 HydrophobicContact CG1-CG1 4.44Å; V488-I492 WeakPolarHBondContact O-CG1 3.35Å; V488-I492 PolarHBondContact O-N 3.32Å; S489-I492 PolarHBondContact O-N 3.48Å; K490-I492 VanDerWaalsContact C-N 3.31Å; K490-I492 PolarHBondContact O-N 3.35Å; I492-T494 VanDerWaalsContact C-N 3.32Å; I492-T494 PolarHBondContact O-N 2.98Å; I492-K495 WeakPolarHBondContact O-CB 3.4Å; I492-K495 PolarHBondContact O-N 2.94Å; I492-L496 PolarHBondContact O-N 3.34Å; I492-M538 HydrophobicContact CD1-CE 3.66Å |
| 493 | S | 69.8 | Low | 66.5 | Low | 48 Ų | 48 | 61.4 Ų | 61.4 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 176 | 69.9 | 0 | 0 | 0 | 0 | 113 | S489 K490 L496 | S489-S493 PolarHBondContact O-N 2.86Å; K490-S493 WeakPolarHBondContact CA-OG 3.28Å; K490-S493 PolarHBondContact O-N 2.92Å; K490-S493 VanDerWaalsContact O-N 3.14Å; K490-S493 PolarHBondContact O-OG 3.17Å; S493-L496 PolarHBondContact O-N 2.98Å |
| 494 | T | 66.9 | Low | 65.7 | Low | 59 Ų | 59 | 61.1 Ų | 61.1 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.6 | -31.2 | 177.3 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | K490 F491 I492 L496 T497 N498 | K490-T494 PolarHBondContact O-N 3.43Å; K490-T494 PolarHBondContact O-OG1 3.24Å; F491-T494 WeakPolarHBondContact CA-OG1 3.43Å; F491-T494 PolarHBondContact O-N 3.18Å; F491-T494 PolarHBondContact O-OG1 2.91Å; I492-T494 VanDerWaalsContact C-N 3.32Å; I492-T494 PolarHBondContact O-N 2.98Å; T494-L496 VanDerWaalsContact C-N 3.33Å; T494-L496 PolarHBondContact O-N 2.9Å; T494-T497 WeakPolarHBondContact CA-OG1 3.39Å; T494-T497 PolarHBondContact O-N 3.36Å; T494-T497 VanDerWaalsContact O-N 3.1Å; T494-T497 PolarHBondContact O-OG1 2.81Å; T494-N498 PolarHBondContact O-N 3.44Å |
| 495 | K | 60.2 | Low | 65.1 | Low | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.265 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 172.4 | -108.1 | -166.8 | 179.4 | -168 | 0 | 112.2 | F491 I492 T497 N498 T502 S542 | F491-K495 HydrophobicContact CE1-CD 4.42Å; F491-K495 HydrophobicContact CE1-CG 4.4Å; F491-K495 PolarHBondContact O-N 2.98Å; I492-K495 WeakPolarHBondContact O-CB 3.4Å; I492-K495 PolarHBondContact O-N 2.94Å; K495-T497 PolarHBondContact O-N 2.92Å; K495-T497 VanDerWaalsContact O-N 3.16Å; K495-N498 PolarHBondContact O-N 3.18Å; K495-T502 WeakPolarHBondContact CE-O 3.45Å; K495-S542 PolarHBondContact NZ-O 3.14Å |
| 496 | L | 53.8 | Low | 64.3 | Low | 151 Ų | 151 | 67.7 Ų | 67.7 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15 | 176.9 | -73.9 | 163.8 | 0 | 0 | 0 | 113.1 | I492 S493 T494 | I492-L496 PolarHBondContact O-N 3.34Å; S493-L496 PolarHBondContact O-N 2.98Å; T494-L496 VanDerWaalsContact C-N 3.33Å; T494-L496 PolarHBondContact O-N 2.9Å |
| 497 | T | 55.7 | Low | 63.7 | Low | 100 Ų | 100 | 69.9 Ų | 69.9 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -23.9 | -179.2 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | T494 K495 | T494-T497 WeakPolarHBondContact CA-OG1 3.39Å; T494-T497 PolarHBondContact O-N 3.36Å; T494-T497 VanDerWaalsContact O-N 3.1Å; T494-T497 PolarHBondContact O-OG1 2.81Å; K495-T497 PolarHBondContact O-N 2.92Å; K495-T497 VanDerWaalsContact O-N 3.16Å |
| 498 | N | 53.4 | Low | 63.3 | Low | 108 Ų | 108 | 69.1 Ų | 69.1 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | trans | -132.3 | 113.5 | -175.1 | -70.8 | -21.6 | 0 | 0 | 0 | 111 | T494 K495 S500 | T494-N498 PolarHBondContact O-N 3.44Å; K495-N498 PolarHBondContact O-N 3.18Å; N498-S500 PolarHBondContact O-N 3.05Å | ||
| 499 | D | 49.5 | Very low | 63.1 | Low | 182 Ų | 182 | 69.6 Ų | 69.6 | 97% | 0.973 | 39% | 0.385 | S | S | * | . | trans | -66.7 | 19.1 | -174 | -82.4 | -25.1 | 0 | 0 | 0 | 116.8 | ||||
| 500 | S | 44.9 | Very low | 62.8 | Low | 74 Ų | 74 | 73.1 Ų | 73.1 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -100.3 | 129.3 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 112 | N498 T502 | N498-S500 PolarHBondContact O-N 3.05Å; S500-T502 VanDerWaalsContact C-N 3.29Å; S500-T502 PolarHBondContact O-N 3.46Å; S500-T502 PolarHBondContact O-OG1 3.27Å |
| 501 | D | 51.1 | Low | 62.9 | Low | 160 Ų | 160 | 70.9 Ų | 70.9 | 86% | 0.856 | 39% | 0.394 | S | S | * | . | trans | -50.6 | 83.7 | 172.3 | -80.6 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 502 | T | 49.7 | Very low | 63.3 | Low | 58 Ų | 58 | 69.7 Ų | 69.7 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | trans | -104.7 | 111.1 | 173.5 | 46.3 | 0 | 0 | 0 | 0 | 107.7 | F491 K495 S500 | F491-T502 WeakPolarHBondContact CE1-O 3.3Å; F491-T502 VanDerWaalsContact CZ-O 3.25Å; F491-T502 WeakPolarHBondContact CZ-O 3.49Å; K495-T502 WeakPolarHBondContact CE-O 3.45Å; S500-T502 VanDerWaalsContact C-N 3.29Å; S500-T502 PolarHBondContact O-N 3.46Å; S500-T502 PolarHBondContact O-OG1 3.27Å | ||
| 503 | T | 60.1 | Low | 63.5 | Low | 91 Ų | 91 | 69.4 Ų | 69.4 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 146.6 | 168.3 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | F491 | F491-T503 VanDerWaalsContact CZ-C 3.5Å; F491-T503 VanDerWaalsContact CZ-O 3.23Å; F491-T503 WeakPolarHBondContact CZ-O 3.35Å |
| 504 | I | 64.7 | Low | 63.7 | Low | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 134.7 | 173.8 | -54.8 | -176.9 | 0 | 0 | 0 | 108.3 | V488 F491 Q506 F539 I543 | V488-I504 HydrophobicContact CG1-CD1 4.3Å; F491-I504 HydrophobicContact CD1-CB 4.34Å; F491-I504 HydrophobicContact CD1-CG1 3.67Å; F491-I504 HydrophobicContact CE1-CB 4.25Å; F491-I504 HydrophobicContact CE1-CG1 3.71Å; I504-Q506 PolarHBondContact O-N 3.17Å; I504-Q506 VanDerWaalsContact O-N 3.1Å; I504-F539 HydrophobicContact CD1-CD1 3.55Å; I504-F539 HydrophobicContact CD1-CE1 3.68Å; I504-F539 HydrophobicContact CG2-CE1 4.18Å; I504-I543 HydrophobicContact CB-CD1 4.44Å; I504-I543 HydrophobicContact CD1-CD1 3.86Å; I504-I543 HydrophobicContact CD1-CG1 4.02Å; I504-I543 HydrophobicContact CG1-CD1 4.08Å; I504-I543 HydrophobicContact CG1-CG1 4.09Å |
| 505 | P | 67.8 | Low | 64 | Low | 23 Ų | 23 | 68.8 Ų | 68.8 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -52 | 119.2 | 179 | -25.9 | 31.3 | 0 | 0 | 0 | 111.8 | F491 P507 I508 V509 | F491-P505 HydrophobicContact CD2-CG 4.48Å; F491-P505 HydrophobicContact CE2-CG 4.36Å; P505-P507 HydrophobicContact CB-CG 3.84Å; P505-P507 VanDerWaalsContact O-N 3.09Å; P505-I508 HydrophobicContact CB-CD1 4.01Å; P505-I508 HydrophobicContact CB-CG1 4.29Å; P505-I508 HydrophobicContact CG-CD1 3.89Å; P505-I508 PolarHBondContact O-N 3.36Å; P505-V509 PolarHBondContact O-N 2.87Å |
| 506 | Q | 68.6 | Low | 64.5 | Low | 123 Ų | 123 | 66.8 Ų | 66.8 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -42.3 | -37.3 | 170.1 | -104 | 81.8 | -5.8 | 0 | 0 | 115.3 | I504 I508 V509 N510 | I504-Q506 PolarHBondContact O-N 3.17Å; I504-Q506 VanDerWaalsContact O-N 3.1Å; Q506-I508 VanDerWaalsContact C-N 3.29Å; Q506-I508 PolarHBondContact O-N 3.09Å; Q506-V509 WeakPolarHBondContact O-CB 3.4Å; Q506-V509 PolarHBondContact O-N 2.81Å; Q506-N510 PolarHBondContact O-N 3.38Å |
| 507 | P | 70.4 | Confident | 65.2 | Low | 48 Ų | 48 | 67.2 Ų | 67.2 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -37.4 | 175.6 | 17.8 | -32.3 | 0 | 0 | 0 | 113.8 | N466 T468 P505 N510 E511 | N466-P507 VanDerWaalsContact O-CG 3.24Å; N466-P507 WeakPolarHBondContact O-CG 3.39Å; T468-P507 HydrophobicContact CG2-CB 3.91Å; T468-P507 WeakPolarHBondContact CG2-O 3.38Å; P505-P507 HydrophobicContact CB-CG 3.84Å; P505-P507 VanDerWaalsContact O-N 3.09Å; P507-N510 PolarHBondContact O-N 3.44Å; P507-E511 WeakPolarHBondContact O-CB 3.27Å; P507-E511 PolarHBondContact O-N 3.47Å |
| 508 | I | 72.1 | Confident | 65.5 | Low | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.3 | -39.2 | 179.6 | -59.9 | 168.1 | 0 | 0 | 0 | 110.3 | I484 K487 V488 P505 Q506 E511 F512 | I484-I508 HydrophobicContact CG2-CG2 4.3Å; K487-I508 HydrophobicContact CB-CD1 4.13Å; K487-I508 HydrophobicContact CB-CG2 4.4Å; K487-I508 HydrophobicContact CD-CD1 4.35Å; K487-I508 HydrophobicContact CD-CG1 4.18Å; V488-I508 HydrophobicContact CG2-CG2 4.23Å; P505-I508 HydrophobicContact CB-CD1 4.01Å; P505-I508 HydrophobicContact CB-CG1 4.29Å; P505-I508 HydrophobicContact CG-CD1 3.89Å; P505-I508 PolarHBondContact O-N 3.36Å; Q506-I508 VanDerWaalsContact C-N 3.29Å; Q506-I508 PolarHBondContact O-N 3.09Å; I508-E511 PolarHBondContact O-N 3.44Å; I508-F512 PolarHBondContact O-N 3.25Å |
| 509 | V | 71.9 | Confident | 65.7 | Low | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 172.4 | 163.8 | 0 | 0 | 0 | 0 | 110.4 | P505 Q506 E511 F512 L513 F539 Y546 | P505-V509 PolarHBondContact O-N 2.87Å; Q506-V509 WeakPolarHBondContact O-CB 3.4Å; Q506-V509 PolarHBondContact O-N 2.81Å; V509-E511 VanDerWaalsContact C-N 3.3Å; V509-E511 PolarHBondContact O-N 3.32Å; V509-F512 WeakPolarHBondContact O-CB 3.38Å; V509-F512 PolarHBondContact O-N 3.42Å; V509-F512 VanDerWaalsContact O-N 3.12Å; V509-L513 HydrophobicContact CG1-CD1 3.98Å; V509-L513 HydrophobicContact CG1-CG 4.26Å; V509-L513 VanDerWaalsContact O-CG 3.31Å; V509-L513 WeakPolarHBondContact O-CG 3.45Å; V509-L513 PolarHBondContact O-N 3.13Å; V509-F539 HydrophobicContact CG2-CE1 4Å; V509-Y546 WeakPolarHBondContact CG1-OH 3.33Å; V509-Y546 HydrophobicContact CG2-CE2 4.25Å; V509-Y546 VanDerWaalsContact CG2-OH 3.26Å; V509-Y546 WeakPolarHBondContact CG2-OH 3.47Å |
| 510 | N | 73.6 | Confident | 65.8 | Low | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | -180 | -70.4 | -12.7 | 0 | 0 | 0 | 111.6 | Q506 P507 F512 L513 D514 | Q506-N510 PolarHBondContact O-N 3.38Å; P507-N510 PolarHBondContact O-N 3.44Å; N510-F512 VanDerWaalsContact C-N 3.31Å; N510-F512 PolarHBondContact O-N 3.42Å; N510-L513 PolarHBondContact O-N 3.06Å; N510-D514 WeakPolarHBondContact O-CB 3.29Å; N510-D514 VanDerWaalsContact O-CG 3.3Å; N510-D514 PolarHBondContact O-N 3.06Å |
| 511 | E | 76.3 | Confident | 66 | Low | 21 Ų | 21 | 61.6 Ų | 61.6 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 174 | -171.6 | 177.5 | -167.4 | 0 | 0 | 111.8 | T468 V469 I484 K487 P507 I508 V509 L515 | T468-E511 HydrophobicContact CG2-CB 4.21Å; V469-E511 VanDerWaalsContact CB-OE1 3.31Å; V469-E511 WeakPolarHBondContact CB-OE1 3.33Å; V469-E511 VanDerWaalsContact CG2-OE1 3.28Å; V469-E511 WeakPolarHBondContact CG2-OE1 3.3Å; V469-E511 PolarHBondContact N-OE1 2.83Å; I484-E511 HydrophobicContact CD1-CG 4.21Å; K487-E511 IonicContact NZ-OE1 3.65Å; K487-E511 PolarHBondContact NZ-OE1 2.92Å; K487-E511 IonicContact NZ-OE2 3.19Å; K487-E511 PolarHBondContact NZ-OE2 3.18Å; P507-E511 WeakPolarHBondContact O-CB 3.27Å; P507-E511 PolarHBondContact O-N 3.47Å; I508-E511 PolarHBondContact O-N 3.44Å; V509-E511 VanDerWaalsContact C-N 3.3Å; V509-E511 PolarHBondContact O-N 3.32Å; E511-L515 WeakPolarHBondContact O-CG 3.49Å; E511-L515 PolarHBondContact O-N 3.49Å |
| 512 | F | 78.3 | Confident | 66.2 | Low | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 175.1 | -175.4 | -111.4 | 0 | 0 | 0 | 112.6 | I484 I508 V509 N510 D514 L515 L516 I532 I535 M536 F539 | I484-F512 HydrophobicContact CD1-CB 4.06Å; I484-F512 HydrophobicContact CD1-CD2 4.07Å; I484-F512 HydrophobicContact CG2-CB 4.31Å; I484-F512 HydrophobicContact CG2-CD2 4.14Å; I508-F512 PolarHBondContact O-N 3.25Å; V509-F512 WeakPolarHBondContact O-CB 3.38Å; V509-F512 PolarHBondContact O-N 3.42Å; V509-F512 VanDerWaalsContact O-N 3.12Å; N510-F512 VanDerWaalsContact C-N 3.31Å; N510-F512 PolarHBondContact O-N 3.42Å; F512-D514 VanDerWaalsContact C-N 3.33Å; F512-D514 PolarHBondContact O-N 3.1Å; F512-L515 PolarHBondContact O-N 3.26Å; F512-L516 HydrophobicContact CD1-CD1 4.01Å; F512-L516 HydrophobicContact CE1-CD1 3.69Å; F512-L516 HydrophobicContact CE1-CG 4.37Å; F512-L516 HydrophobicContact CZ-CD1 4.18Å; F512-L516 HydrophobicContact CZ-CD2 4.39Å; F512-L516 HydrophobicContact CZ-CG 4.46Å; F512-L516 WeakPolarHBondContact O-CG 3.4Å; F512-L516 PolarHBondContact O-N 3.3Å; F512-L516 VanDerWaalsContact O-N 3.14Å; F512-I532 HydrophobicContact CZ-CG2 4.09Å; F512-I535 HydrophobicContact CD2-CG2 4.18Å; F512-I535 HydrophobicContact CE2-CB 4.19Å; F512-I535 HydrophobicContact CE2-CD1 4.4Å; F512-I535 HydrophobicContact CE2-CG2 3.82Å; F512-I535 HydrophobicContact CZ-CB 4.32Å; F512-I535 HydrophobicContact CZ-CG2 4.02Å; F512-M536 HydrophobicContact CE1-CE 3.93Å; F512-M536 HydrophobicContact CE1-CG 3.71Å; F512-M536 HydrophobicContact CZ-CE 4.13Å; F512-M536 HydrophobicContact CZ-CG 3.83Å; F512-F539 HydrophobicContact CB-CE2 4.48Å; F512-F539 AromaticContact CD1-CE2 3.97Å; F512-F539 HydrophobicContact CD1-CE2 3.97Å; F512-F539 HydrophobicContact CE1-CE2 4.35Å; F512-F539 HydrophobicContact CG-CE2 4.14Å |
| 513 | L | 75 | Confident | 66.6 | Low | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 178 | -65.2 | -177.5 | 0 | 0 | 0 | 112.8 | V509 N510 L516 K517 M550 | V509-L513 HydrophobicContact CG1-CD1 3.98Å; V509-L513 HydrophobicContact CG1-CG 4.26Å; V509-L513 VanDerWaalsContact O-CG 3.31Å; V509-L513 WeakPolarHBondContact O-CG 3.45Å; V509-L513 PolarHBondContact O-N 3.13Å; N510-L513 PolarHBondContact O-N 3.06Å; L513-L516 HydrophobicContact CD2-CD1 4.48Å; L513-L516 PolarHBondContact O-N 2.73Å; L513-K517 WeakPolarHBondContact O-CG 3.5Å; L513-K517 PolarHBondContact O-N 3.47Å; L513-M550 HydrophobicContact CD2-CE 3.01Å; L513-M550 HydrophobicContact CD2-SD 3.64Å; L513-M550 HydrophobicContact CG-CE 4.44Å |
| 514 | D | 73.1 | Confident | 66.9 | Low | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 177.3 | -74 | -17.3 | 0 | 0 | 0 | 110.9 | N510 F512 L516 K517 T518 | N510-D514 WeakPolarHBondContact O-CB 3.29Å; N510-D514 VanDerWaalsContact O-CG 3.3Å; N510-D514 PolarHBondContact O-N 3.06Å; F512-D514 VanDerWaalsContact C-N 3.33Å; F512-D514 PolarHBondContact O-N 3.1Å; D514-L516 VanDerWaalsContact C-N 3.33Å; D514-L516 PolarHBondContact O-N 2.89Å; D514-K517 PolarHBondContact O-N 3.24Å; D514-T518 WeakPolarHBondContact O-CG2 3.26Å; D514-T518 PolarHBondContact O-N 3.19Å; D514-T518 PolarHBondContact O-OG1 2.96Å |
| 515 | L | 74.3 | Confident | 67.4 | Low | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 174.4 | -76.5 | 173.5 | 0 | 0 | 0 | 113.2 | R480 I484 E511 F512 K517 T518 N519 | R480-L515 HydrophobicContact CB-CD1 3.98Å; R480-L515 HydrophobicContact CB-CD2 4.28Å; I484-L515 HydrophobicContact CD1-CD1 3.31Å; E511-L515 WeakPolarHBondContact O-CG 3.49Å; E511-L515 PolarHBondContact O-N 3.49Å; F512-L515 PolarHBondContact O-N 3.26Å; L515-K517 VanDerWaalsContact C-N 3.32Å; L515-K517 PolarHBondContact O-N 3.49Å; L515-T518 PolarHBondContact O-N 3.09Å; L515-T518 PolarHBondContact O-OG1 2.81Å; L515-N519 WeakPolarHBondContact O-CB 3.45Å; L515-N519 PolarHBondContact O-N 3.42Å; L515-N519 VanDerWaalsContact O-N 3.1Å |
| 516 | L | 71.3 | Confident | 68.1 | Low | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.2 | -67.8 | 171.8 | 0 | 0 | 0 | 111.6 | F512 L513 D514 N520 I532 M536 | F512-L516 HydrophobicContact CD1-CD1 4.01Å; F512-L516 HydrophobicContact CE1-CD1 3.69Å; F512-L516 HydrophobicContact CE1-CG 4.37Å; F512-L516 HydrophobicContact CZ-CD1 4.18Å; F512-L516 HydrophobicContact CZ-CD2 4.39Å; F512-L516 HydrophobicContact CZ-CG 4.46Å; F512-L516 WeakPolarHBondContact O-CG 3.4Å; F512-L516 PolarHBondContact O-N 3.3Å; F512-L516 VanDerWaalsContact O-N 3.14Å; L513-L516 HydrophobicContact CD2-CD1 4.48Å; L513-L516 PolarHBondContact O-N 2.73Å; D514-L516 VanDerWaalsContact C-N 3.33Å; D514-L516 PolarHBondContact O-N 2.89Å; L516-N520 VanDerWaalsContact O-CB 3.3Å; L516-N520 WeakPolarHBondContact O-CB 3.39Å; L516-N520 PolarHBondContact O-N 2.95Å; L516-N520 PolarHBondContact O-ND2 3.41Å; L516-N520 PolarHBondContact O-OD1 3.07Å; L516-I532 HydrophobicContact CD2-CB 4.49Å; L516-I532 HydrophobicContact CD2-CD1 3.87Å; L516-I532 HydrophobicContact CD2-CG1 4.15Å; L516-I532 HydrophobicContact CD2-CG2 3.53Å; L516-M536 HydrophobicContact CD1-CE 3.45Å; L516-M536 VanDerWaalsContact CD1-CE 3.45Å; L516-M536 HydrophobicContact CD2-CE 4Å; L516-M536 HydrophobicContact CG-CE 4.39Å |
| 517 | K | 67.9 | Low | 68.9 | Low | 159 Ų | 159 | 50.3 Ų | 50.3 | 69% | 0.691 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.6 | -38.9 | 178.3 | -70.6 | 173.6 | -173.9 | 166.7 | 0 | 112.6 | L513 D514 L515 | L513-K517 WeakPolarHBondContact O-CG 3.5Å; L513-K517 PolarHBondContact O-N 3.47Å; D514-K517 PolarHBondContact O-N 3.24Å; L515-K517 VanDerWaalsContact C-N 3.32Å; L515-K517 PolarHBondContact O-N 3.49Å |
| 518 | T | 62.4 | Low | 69.5 | Low | 79 Ų | 79 | 48.1 Ų | 48.1 | 49% | 0.485 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.6 | -34.2 | -175.7 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | D514 L515 | D514-T518 WeakPolarHBondContact O-CG2 3.26Å; D514-T518 PolarHBondContact O-N 3.19Å; D514-T518 PolarHBondContact O-OG1 2.96Å; L515-T518 PolarHBondContact O-N 3.09Å; L515-T518 PolarHBondContact O-OG1 2.81Å |
| 519 | N | 56.8 | Low | 70 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -106.4 | -13 | -167.6 | -70 | -6.2 | 0 | 0 | 0 | 115.6 | L515 L521 T522 V523 Y528 | L515-N519 WeakPolarHBondContact O-CB 3.45Å; L515-N519 PolarHBondContact O-N 3.42Å; L515-N519 VanDerWaalsContact O-N 3.1Å; N519-L521 PolarHBondContact O-N 3.46Å; N519-T522 PolarHBondContact O-N 2.94Å; N519-V523 HydrophobicContact CB-CG2 4.42Å; N519-V523 PolarHBondContact O-N 3.09Å; N519-Y528 HydrophobicContact CB-CE1 4.3Å; N519-Y528 PolarHBondContact ND2-OH 3.39Å |
| 520 | N | 52.4 | Low | 70.7 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -14.7 | -179.1 | -88.5 | -2.3 | 0 | 0 | 0 | 114.4 | L516 | L516-N520 VanDerWaalsContact O-CB 3.3Å; L516-N520 WeakPolarHBondContact O-CB 3.39Å; L516-N520 PolarHBondContact O-N 2.95Å; L516-N520 PolarHBondContact O-ND2 3.41Å; L516-N520 PolarHBondContact O-OD1 3.07Å |
| 521 | L | 49.1 | Very low | 71.3 | Confident | 157 Ų | 157 | 43.7 Ų | 43.7 | 82% | 0.822 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -10.9 | -179.8 | -67.1 | 168.3 | 0 | 0 | 0 | 114.7 | N519 | N519-L521 PolarHBondContact O-N 3.46Š|
| 522 | T | 53.7 | Low | 71.7 | Confident | 91 Ų | 91 | 42.9 Ų | 42.9 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -22.1 | -166.6 | 55.4 | 0 | 0 | 0 | 0 | 115 | N519 | N519-T522 PolarHBondContact O-N 2.94Š|
| 523 | V | 59.6 | Low | 71.9 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | trans | -112.9 | 101.2 | -174.9 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | P477 N519 S525 Y528 | P477-V523 HydrophobicContact CB-CG2 4.18Å; P477-V523 HydrophobicContact CG-CG2 3.89Å; N519-V523 HydrophobicContact CB-CG2 4.42Å; N519-V523 PolarHBondContact O-N 3.09Å; V523-S525 VanDerWaalsContact C-N 3.29Å; V523-S525 PolarHBondContact O-N 3.22Å; V523-S525 VanDerWaalsContact O-N 3.11Å; V523-Y528 HydrophobicContact CB-CD1 4.34Å; V523-Y528 HydrophobicContact CB-CE1 4.45Å; V523-Y528 HydrophobicContact CG1-CD1 4.03Å; V523-Y528 HydrophobicContact CG1-CG 4.15Å | ||
| 524 | H | 65.4 | Low | 72.3 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | trans | -85.2 | 68.8 | 173.9 | -62.3 | -58.8 | 0 | 0 | 0 | 110.5 | F565 | H524-F565 HydrophobicContact CB-CD1 4.31Å; H524-F565 HydrophobicContact CB-CE1 4.33Å; H524-F565 AromaticContact ND1-CD1 3.92Å; H524-F565 AromaticContact ND1-CE1 3.17Å; H524-F565 WeakPolarHBondContact ND1-CE1 3.39Å; H524-F565 AromaticContact ND1-CZ 3.66Å | ||
| 525 | S | 75.9 | Confident | 72.7 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | trans | -125.9 | 129 | 179.6 | 170.2 | 0 | 0 | 0 | 0 | 112.5 | D173 V523 Y528 Q529 | D173-S525 WeakPolarHBondContact OD1-CB 3.34Å; D173-S525 PolarHBondContact OD1-OG 3.03Å; D173-S525 PolarHBondContact OD2-OG 2.9Å; V523-S525 VanDerWaalsContact C-N 3.29Å; V523-S525 PolarHBondContact O-N 3.22Å; V523-S525 VanDerWaalsContact O-N 3.11Å; S525-Y528 WeakPolarHBondContact OG-CB 3.4Å; S525-Y528 PolarHBondContact OG-N 3.15Å; S525-Y528 VanDerWaalsContact OG-N 3.16Å; S525-Q529 WeakPolarHBondContact O-CG 2.97Å; S525-Q529 PolarHBondContact O-N 2.99Å | ||
| 526 | T | 82 | Confident | 72.9 | Confident | 16 Ų | 16 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.3 | -42.8 | -176.1 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | Y309 Q529 Y530 F565 D566 | Y309-T526 PolarHBondContact OH-OG1 3.44Å; T526-Q529 PolarHBondContact O-N 2.99Å; T526-Y530 PolarHBondContact O-N 3.5Å; T526-F565 HydrophobicContact CG2-CB 3.48Å; T526-F565 VanDerWaalsContact CG2-CB 3.48Å; T526-D566 HydrophobicContact CG2-CB 3.1Å; T526-D566 VanDerWaalsContact CG2-N 3.32Å |
| 527 | R | 85.3 | Confident | 73.3 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -33.5 | 176.4 | -175.6 | 60.3 | 179.9 | 172.3 | 9.3 | 111.8 | C399 N400 E402 E439 R478 Y530 L531 Y569 | C399-R527 PolarHBondContact O-NH2 2.58Å; N400-R527 WeakPolarHBondContact OD1-CG 3.43Å; E402-R527 IonicContact OE1-CZ 2.96Å; E402-R527 IonicContact OE1-NH1 3.74Å; E402-R527 PolarHBondContact OE1-NH1 3.21Å; E402-R527 IonicContact OE1-NH2 4Å; E402-R527 PolarHBondContact OE1-NH2 2.93Å; E402-R527 VanDerWaalsContact OE1-NH2 3.15Å; E439-R527 IonicContact OE1-CZ 3Å; E439-R527 VanDerWaalsContact OE1-CZ 3.31Å; E439-R527 IonicContact OE1-NE 2.92Å; E439-R527 PolarHBondContact OE1-NE 2.97Å; E439-R527 IonicContact OE1-NH2 2.71Å; E439-R527 PolarHBondContact OE1-NH2 3.2Å; R478-R527 VanDerWaalsContact NH1-CG 3.34Å; R527-Y530 WeakPolarHBondContact O-CB 3.39Å; R527-Y530 PolarHBondContact O-N 3.23Å; R527-L531 WeakPolarHBondContact O-CG 3.2Å; R527-L531 PolarHBondContact O-N 3.26Å; R527-Y569 WeakPolarHBondContact CD-OH 3.32Å; R527-Y569 PolarHBondContact NH1-OH 3.48Å |
| 528 | Y | 83.3 | Confident | 73.6 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 172.6 | -174.7 | -106.8 | 0 | 0 | 0 | 111.6 | P477 R478 I481 N519 V523 S525 Y530 L531 I532 | P477-Y528 VanDerWaalsContact C-CE2 3.49Å; P477-Y528 HydrophobicContact CB-CD2 4.27Å; P477-Y528 HydrophobicContact CB-CE2 3.6Å; P477-Y528 WeakPolarHBondContact O-CE2 3.24Å; R478-Y528 HydrophobicContact CB-CD2 4.33Å; I481-Y528 HydrophobicContact CB-CE2 4.45Å; I481-Y528 HydrophobicContact CD1-CD2 3.63Å; I481-Y528 HydrophobicContact CD1-CE1 4.14Å; I481-Y528 HydrophobicContact CD1-CE2 3.06Å; I481-Y528 HydrophobicContact CD1-CG 4.33Å; I481-Y528 HydrophobicContact CG1-CD2 4.39Å; I481-Y528 HydrophobicContact CG1-CE2 3.59Å; N519-Y528 HydrophobicContact CB-CE1 4.3Å; N519-Y528 PolarHBondContact ND2-OH 3.39Å; V523-Y528 HydrophobicContact CB-CD1 4.34Å; V523-Y528 HydrophobicContact CB-CE1 4.45Å; V523-Y528 HydrophobicContact CG1-CD1 4.03Å; V523-Y528 HydrophobicContact CG1-CG 4.15Å; S525-Y528 WeakPolarHBondContact OG-CB 3.4Å; S525-Y528 PolarHBondContact OG-N 3.15Å; S525-Y528 VanDerWaalsContact OG-N 3.16Å; Y528-Y530 VanDerWaalsContact C-N 3.34Å; Y528-Y530 PolarHBondContact O-N 2.85Å; Y528-L531 PolarHBondContact O-N 2.88Å; Y528-I532 HydrophobicContact CD1-CD1 3.78Å; Y528-I532 HydrophobicContact CE1-CD1 3.51Å; Y528-I532 HydrophobicContact CE1-CG1 4.45Å; Y528-I532 WeakPolarHBondContact O-CG1 3.5Å; Y528-I532 PolarHBondContact O-N 2.88Å |
| 529 | Q | 83.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 176.1 | -68.6 | -60.3 | -23.2 | 0 | 0 | 112.7 | S525 T526 I532 G533 L561 F565 | S525-Q529 WeakPolarHBondContact O-CG 2.97Å; S525-Q529 PolarHBondContact O-N 2.99Å; T526-Q529 PolarHBondContact O-N 2.99Å; Q529-I532 WeakPolarHBondContact O-CB 3.5Å; Q529-I532 PolarHBondContact O-N 3.21Å; Q529-G533 PolarHBondContact O-N 3.4Å; Q529-L561 HydrophobicContact CG-CB 4.44Å; Q529-F565 HydrophobicContact CG-CD2 4.05Å; Q529-F565 HydrophobicContact CG-CE2 3.93Å |
| 530 | Y | 86.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 170.9 | 176.8 | -86.6 | 0 | 0 | 0 | 112 | E402 T526 R527 Y528 I532 G533 Y534 F559 Y569 A571 N572 Q575 | E402-Y530 WeakPolarHBondContact OE1-CE1 3.46Å; E402-Y530 PolarHBondContact OE1-OH 3.33Å; E402-Y530 PolarHBondContact OE2-OH 3.47Å; T526-Y530 PolarHBondContact O-N 3.5Å; R527-Y530 WeakPolarHBondContact O-CB 3.39Å; R527-Y530 PolarHBondContact O-N 3.23Å; Y528-Y530 VanDerWaalsContact C-N 3.34Å; Y528-Y530 PolarHBondContact O-N 2.85Å; Y530-I532 VanDerWaalsContact C-N 3.31Å; Y530-I532 PolarHBondContact O-N 3.48Å; Y530-G533 PolarHBondContact O-N 3.3Å; Y530-G533 VanDerWaalsContact O-N 3.17Å; Y530-Y534 PolarHBondContact O-N 2.94Å; Y530-F559 HydrophobicContact CD2-CD1 4.04Å; Y530-F559 AromaticContact CD2-CE1 3.63Å; Y530-F559 HydrophobicContact CD2-CE1 3.63Å; Y530-F559 AromaticContact CE2-CE1 3.9Å; Y530-F559 HydrophobicContact CE2-CE1 3.9Å; Y530-F559 HydrophobicContact CG-CE1 4.18Å; Y530-F559 WeakPolarHBondContact O-CE1 3.45Å; Y530-Y569 HydrophobicContact CD2-CE1 4.01Å; Y530-Y569 HydrophobicContact CG-CE1 4.02Å; Y530-A571 HydrophobicContact CD2-CB 4.03Å; Y530-A571 HydrophobicContact CE2-CB 3.65Å; Y530-N572 VanDerWaalsContact CB-OD1 3.3Å; Y530-N572 WeakPolarHBondContact CB-OD1 3.48Å; Y530-N572 VanDerWaalsContact CD2-OD1 3.31Å; Y530-N572 WeakPolarHBondContact CD2-OD1 3.35Å; Y530-Q575 HydrophobicContact CD2-CG 4.43Å; Y530-Q575 HydrophobicContact CE2-CG 3.51Å; Y530-Q575 PolarHBondContact OH-NE2 3.42Å; Y530-Q575 VanDerWaalsContact OH-NE2 3.16Å |
| 531 | L | 85.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | -178.8 | -69.9 | 170.4 | 0 | 0 | 0 | 111.8 | R478 I481 W485 R527 Y528 Y534 I535 | R478-L531 HydrophobicContact CG-CD1 3.89Å; I481-L531 HydrophobicContact CG2-CB 3.73Å; I481-L531 HydrophobicContact CG2-CD1 4.4Å; W485-L531 HydrophobicContact CE3-CD2 4.25Å; W485-L531 HydrophobicContact CZ3-CD2 3.95Å; R527-L531 WeakPolarHBondContact O-CG 3.2Å; R527-L531 PolarHBondContact O-N 3.26Å; Y528-L531 PolarHBondContact O-N 2.88Å; L531-Y534 PolarHBondContact O-N 3.19Å; L531-I535 WeakPolarHBondContact O-CG1 3.46Å; L531-I535 PolarHBondContact O-N 3.08Å |
| 532 | I | 84.2 | Confident | 75.8 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -53.8 | 170.5 | -72.5 | 170.3 | 0 | 0 | 0 | 110.1 | I481 F512 L516 Y528 Q529 Y530 Y534 I535 M536 A558 | I481-I532 HydrophobicContact CD1-CD1 4.01Å; I481-I532 HydrophobicContact CD1-CG1 3.35Å; F512-I532 HydrophobicContact CZ-CG2 4.09Å; L516-I532 HydrophobicContact CD2-CB 4.49Å; L516-I532 HydrophobicContact CD2-CD1 3.87Å; L516-I532 HydrophobicContact CD2-CG1 4.15Å; L516-I532 HydrophobicContact CD2-CG2 3.53Å; Y528-I532 HydrophobicContact CD1-CD1 3.78Å; Y528-I532 HydrophobicContact CE1-CD1 3.51Å; Y528-I532 HydrophobicContact CE1-CG1 4.45Å; Y528-I532 WeakPolarHBondContact O-CG1 3.5Å; Y528-I532 PolarHBondContact O-N 2.88Å; Q529-I532 WeakPolarHBondContact O-CB 3.5Å; Q529-I532 PolarHBondContact O-N 3.21Å; Y530-I532 VanDerWaalsContact C-N 3.31Å; Y530-I532 PolarHBondContact O-N 3.48Å; I532-Y534 VanDerWaalsContact C-N 3.29Å; I532-Y534 PolarHBondContact O-N 3.28Å; I532-I535 PolarHBondContact O-N 3.41Å; I532-M536 HydrophobicContact CG2-CE 3.62Å; I532-M536 HydrophobicContact CG2-SD 4.03Å; I532-M536 WeakPolarHBondContact O-CG 3.19Å; I532-M536 PolarHBondContact O-N 3.38Å; I532-A558 HydrophobicContact CG2-CB 3.94Å |
| 533 | G | 82.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q529 Y530 M536 K537 | Q529-G533 PolarHBondContact O-N 3.4Å; Y530-G533 PolarHBondContact O-N 3.3Å; Y530-G533 VanDerWaalsContact O-N 3.17Å; G533-M536 WeakPolarHBondContact O-CB 3.43Å; G533-M536 PolarHBondContact O-N 3.13Å; G533-K537 PolarHBondContact O-N 3.45Å |
| 534 | Y | 83.6 | Confident | 75.3 | Confident | 69 Ų | 69 | 30.3 Ų | 30.3 | 27% | 0.271 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.6 | -44.7 | 178.1 | -174.7 | -94.3 | 0 | 0 | 0 | 112.8 | W485 Y530 L531 I532 M536 K537 M538 | W485-Y534 HydrophobicContact CD2-CE1 4.46Å; W485-Y534 AromaticContact CE2-CE1 3.59Å; W485-Y534 HydrophobicContact CH2-CE1 4.17Å; W485-Y534 HydrophobicContact CZ2-CD1 4.11Å; W485-Y534 AromaticContact CZ2-CE1 3.44Å; W485-Y534 HydrophobicContact CZ2-CE1 3.44Å; W485-Y534 VanDerWaalsContact CZ2-CE1 3.44Å; W485-Y534 AromaticContact NE1-CE1 3.74Å; Y530-Y534 PolarHBondContact O-N 2.94Å; L531-Y534 PolarHBondContact O-N 3.19Å; I532-Y534 VanDerWaalsContact C-N 3.29Å; I532-Y534 PolarHBondContact O-N 3.28Å; Y534-M536 VanDerWaalsContact C-N 3.34Å; Y534-M536 PolarHBondContact O-N 3.19Å; Y534-K537 WeakPolarHBondContact O-CB 3.34Å; Y534-K537 PolarHBondContact O-N 3.48Å; Y534-M538 HydrophobicContact CD1-SD 4.08Å; Y534-M538 HydrophobicContact CE1-CG 4.11Å; Y534-M538 HydrophobicContact CE1-SD 3.54Å; Y534-M538 VanDerWaalsContact CE1-SD 3.54Å; Y534-M538 PolarHBondContact O-N 3Å; Y534-M538 VanDerWaalsContact O-N 3.08Å |
| 535 | I | 81.2 | Confident | 74.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.6 | -70.1 | 175.8 | 0 | 0 | 0 | 110.7 | I481 I484 W485 F512 L531 I532 K537 M538 F539 | I481-I535 HydrophobicContact CG2-CD1 3.53Å; I481-I535 WeakPolarHBondContact O-CD1 3.3Å; I484-I535 HydrophobicContact CG2-CD1 4.4Å; I484-I535 HydrophobicContact CG2-CG2 4.27Å; W485-I535 HydrophobicContact CB-CD1 3.77Å; W485-I535 HydrophobicContact CB-CG1 3.97Å; W485-I535 HydrophobicContact CG-CG1 4.33Å; F512-I535 HydrophobicContact CD2-CG2 4.18Å; F512-I535 HydrophobicContact CE2-CB 4.19Å; F512-I535 HydrophobicContact CE2-CD1 4.4Å; F512-I535 HydrophobicContact CE2-CG2 3.82Å; F512-I535 HydrophobicContact CZ-CB 4.32Å; F512-I535 HydrophobicContact CZ-CG2 4.02Å; L531-I535 WeakPolarHBondContact O-CG1 3.46Å; L531-I535 PolarHBondContact O-N 3.08Å; I532-I535 PolarHBondContact O-N 3.41Å; I535-K537 VanDerWaalsContact C-N 3.27Å; I535-K537 PolarHBondContact O-N 3.5Å; I535-M538 WeakPolarHBondContact O-CB 3.45Å; I535-M538 PolarHBondContact O-N 3.22Å; I535-M538 VanDerWaalsContact O-N 3.15Å; I535-F539 HydrophobicContact CG2-CD2 3.65Å; I535-F539 HydrophobicContact CG2-CE2 3.33Å; I535-F539 HydrophobicContact CG2-CZ 4.36Å; I535-F539 WeakPolarHBondContact O-CD2 3.02Å; I535-F539 PolarHBondContact O-N 3.04Å |
| 536 | M | 80 | Confident | 73 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 174.1 | -72.4 | 175.3 | 174.5 | 0 | 0 | 111.7 | F512 L516 I532 G533 Y534 F539 T540 Q554 Q555 A558 | F512-M536 HydrophobicContact CE1-CE 3.93Å; F512-M536 HydrophobicContact CE1-CG 3.71Å; F512-M536 HydrophobicContact CZ-CE 4.13Å; F512-M536 HydrophobicContact CZ-CG 3.83Å; L516-M536 HydrophobicContact CD1-CE 3.45Å; L516-M536 VanDerWaalsContact CD1-CE 3.45Å; L516-M536 HydrophobicContact CD2-CE 4Å; L516-M536 HydrophobicContact CG-CE 4.39Å; I532-M536 HydrophobicContact CG2-CE 3.62Å; I532-M536 HydrophobicContact CG2-SD 4.03Å; I532-M536 WeakPolarHBondContact O-CG 3.19Å; I532-M536 PolarHBondContact O-N 3.38Å; G533-M536 WeakPolarHBondContact O-CB 3.43Å; G533-M536 PolarHBondContact O-N 3.13Å; Y534-M536 VanDerWaalsContact C-N 3.34Å; Y534-M536 PolarHBondContact O-N 3.19Å; M536-F539 WeakPolarHBondContact O-CB 3.38Å; M536-F539 PolarHBondContact O-N 2.98Å; M536-T540 PolarHBondContact O-N 2.95Å; M536-T540 VanDerWaalsContact O-N 3.1Å; M536-T540 PolarHBondContact O-OG1 3.34Å; M536-Q554 HydrophobicContact SD-CB 4.23Å; M536-Q555 HydrophobicContact CB-CG 3.71Å; M536-Q555 PolarHBondContact O-NE2 3.46Å; M536-A558 HydrophobicContact SD-CB 4.42Å |
| 537 | K | 78.3 | Confident | 71.2 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.1 | -171.5 | -178.1 | -173.6 | 178.1 | 0 | 112.3 | G533 Y534 I535 F539 T540 Q541 | G533-K537 PolarHBondContact O-N 3.45Å; Y534-K537 WeakPolarHBondContact O-CB 3.34Å; Y534-K537 PolarHBondContact O-N 3.48Å; I535-K537 VanDerWaalsContact C-N 3.27Å; I535-K537 PolarHBondContact O-N 3.5Å; K537-F539 VanDerWaalsContact C-N 3.32Å; K537-F539 PolarHBondContact O-N 3.21Å; K537-T540 WeakPolarHBondContact CA-OG1 3.41Å; K537-T540 PolarHBondContact O-N 2.87Å; K537-T540 PolarHBondContact O-OG1 3.2Å; K537-Q541 PolarHBondContact O-N 2.94Å; K537-Q541 VanDerWaalsContact O-N 3.16Å |
| 538 | M | 75.4 | Confident | 69.4 | Low | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 175.5 | -74.1 | 177.9 | 58.8 | 0 | 0 | 113.2 | W485 V488 S489 I492 Y534 I535 T540 Q541 S542 | W485-M538 PolarHBondContact NE1-SD 3.41Å; V488-M538 HydrophobicContact CB-CE 4.24Å; V488-M538 HydrophobicContact CG1-CB 4.42Å; V488-M538 HydrophobicContact CG1-CE 3.7Å; S489-M538 VanDerWaalsContact OG-CE 3.25Å; S489-M538 WeakPolarHBondContact OG-CE 3.38Å; I492-M538 HydrophobicContact CD1-CE 3.66Å; Y534-M538 HydrophobicContact CD1-SD 4.08Å; Y534-M538 HydrophobicContact CE1-CG 4.11Å; Y534-M538 HydrophobicContact CE1-SD 3.54Å; Y534-M538 VanDerWaalsContact CE1-SD 3.54Å; Y534-M538 PolarHBondContact O-N 3Å; Y534-M538 VanDerWaalsContact O-N 3.08Å; I535-M538 WeakPolarHBondContact O-CB 3.45Å; I535-M538 PolarHBondContact O-N 3.22Å; I535-M538 VanDerWaalsContact O-N 3.15Å; M538-T540 VanDerWaalsContact C-N 3.33Å; M538-T540 PolarHBondContact O-N 3.31Å; M538-Q541 PolarHBondContact O-N 3.29Å; M538-S542 PolarHBondContact O-N 2.87Å; M538-S542 PolarHBondContact O-OG 3.31Å |
| 539 | F | 71.8 | Confident | 67.4 | Low | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 173.7 | -80.8 | -64.2 | 0 | 0 | 0 | 111.4 | V488 I504 V509 F512 I535 M536 K537 Q541 S542 I543 | V488-F539 HydrophobicContact CG2-CE1 3.86Å; V488-F539 HydrophobicContact CG2-CE2 4.29Å; V488-F539 HydrophobicContact CG2-CZ 3.59Å; I504-F539 HydrophobicContact CD1-CD1 3.55Å; I504-F539 HydrophobicContact CD1-CE1 3.68Å; I504-F539 HydrophobicContact CG2-CE1 4.18Å; V509-F539 HydrophobicContact CG2-CE1 4Å; F512-F539 HydrophobicContact CB-CE2 4.48Å; F512-F539 AromaticContact CD1-CE2 3.97Å; F512-F539 HydrophobicContact CD1-CE2 3.97Å; F512-F539 HydrophobicContact CE1-CE2 4.35Å; F512-F539 HydrophobicContact CG-CE2 4.14Å; I535-F539 HydrophobicContact CG2-CD2 3.65Å; I535-F539 HydrophobicContact CG2-CE2 3.33Å; I535-F539 HydrophobicContact CG2-CZ 4.36Å; I535-F539 WeakPolarHBondContact O-CD2 3.02Å; I535-F539 PolarHBondContact O-N 3.04Å; M536-F539 WeakPolarHBondContact O-CB 3.38Å; M536-F539 PolarHBondContact O-N 2.98Å; K537-F539 VanDerWaalsContact C-N 3.32Å; K537-F539 PolarHBondContact O-N 3.21Å; F539-Q541 PolarHBondContact O-N 3.02Å; F539-S542 PolarHBondContact O-N 3.27Å; F539-S542 PolarHBondContact O-OG 3.48Å; F539-I543 HydrophobicContact CD1-CD1 4.32Å |
| 540 | T | 67.1 | Low | 65.8 | Low | 60 Ų | 60 | 55 Ų | 55 | 37% | 0.368 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -34.6 | 179.4 | 52 | 0 | 0 | 0 | 0 | 114.1 | M536 K537 M538 S542 Q555 | M536-T540 PolarHBondContact O-N 2.95Å; M536-T540 VanDerWaalsContact O-N 3.1Å; M536-T540 PolarHBondContact O-OG1 3.34Å; K537-T540 WeakPolarHBondContact CA-OG1 3.41Å; K537-T540 PolarHBondContact O-N 2.87Å; K537-T540 PolarHBondContact O-OG1 3.2Å; M538-T540 VanDerWaalsContact C-N 3.33Å; M538-T540 PolarHBondContact O-N 3.31Å; T540-S542 VanDerWaalsContact C-N 3.33Å; T540-S542 PolarHBondContact O-N 2.88Å; T540-Q555 PolarHBondContact OG1-NE2 3.38Å; T540-Q555 VanDerWaalsContact OG1-NE2 3.11Å |
| 541 | Q | 65.5 | Low | 64.7 | Low | 142 Ų | 142 | 56.1 Ų | 56.1 | 66% | 0.664 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -75.5 | -17.7 | -178.7 | -70 | -179.4 | -12.7 | 0 | 0 | 114.2 | K537 M538 F539 | K537-Q541 PolarHBondContact O-N 2.94Å; K537-Q541 VanDerWaalsContact O-N 3.16Å; M538-Q541 PolarHBondContact O-N 3.29Å; F539-Q541 PolarHBondContact O-N 3.02Å |
| 542 | S | 60.8 | Low | 63.8 | Low | 20 Ų | 20 | 57.5 Ų | 57.5 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -111.3 | -9.9 | -166 | 56.7 | 0 | 0 | 0 | 0 | 115.6 | K495 M538 F539 T540 | K495-S542 PolarHBondContact NZ-O 3.14Å; M538-S542 PolarHBondContact O-N 2.87Å; M538-S542 PolarHBondContact O-OG 3.31Å; F539-S542 PolarHBondContact O-N 3.27Å; F539-S542 PolarHBondContact O-OG 3.48Å; T540-S542 VanDerWaalsContact C-N 3.33Å; T540-S542 PolarHBondContact O-N 2.88Å |
| 543 | I | 54.3 | Low | 63.3 | Low | 24 Ų | 24 | 62.5 Ų | 62.5 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | trans | -121.6 | 117.8 | -175.1 | -51.8 | 171.5 | 0 | 0 | 0 | 110.9 | I504 F539 Y546 | I504-I543 HydrophobicContact CB-CD1 4.44Å; I504-I543 HydrophobicContact CD1-CD1 3.86Å; I504-I543 HydrophobicContact CD1-CG1 4.02Å; I504-I543 HydrophobicContact CG1-CD1 4.08Å; I504-I543 HydrophobicContact CG1-CG1 4.09Å; F539-I543 HydrophobicContact CD1-CD1 4.32Å; I543-Y546 HydrophobicContact CB-CD2 4.27Å; I543-Y546 HydrophobicContact CB-CG 4.4Å; I543-Y546 HydrophobicContact CD1-CD2 3.31Å; I543-Y546 HydrophobicContact CD1-CE2 3.55Å; I543-Y546 HydrophobicContact CD1-CG 3.89Å; I543-Y546 HydrophobicContact CG1-CD2 4.37Å; I543-Y546 HydrophobicContact CG2-CD2 3.84Å; I543-Y546 HydrophobicContact CG2-CG 4.23Å | ||
| 544 | T | 49.6 | Very low | 62.8 | Low | 124 Ų | 124 | 65.3 Ų | 65.3 | 76% | 0.761 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.4 | 178.5 | 43.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 545 | N | 44.9 | Very low | 62.6 | Low | 152 Ų | 152 | 62 Ų | 62 | 81% | 0.813 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 45.9 | -175.8 | -80.2 | -19.6 | 0 | 0 | 0 | 112.8 | ||
| 546 | Y | 47 | Very low | 62.7 | Low | 70 Ų | 70 | 63.3 Ų | 63.3 | 28% | 0.275 | 34% | 0.341 | S | S | . | . | trans | -96.4 | 140.4 | 175.8 | -142.8 | -110.9 | 0 | 0 | 0 | 111.2 | V509 I543 E548 M550 | V509-Y546 WeakPolarHBondContact CG1-OH 3.33Å; V509-Y546 HydrophobicContact CG2-CE2 4.25Å; V509-Y546 VanDerWaalsContact CG2-OH 3.26Å; V509-Y546 WeakPolarHBondContact CG2-OH 3.47Å; I543-Y546 HydrophobicContact CB-CD2 4.27Å; I543-Y546 HydrophobicContact CB-CG 4.4Å; I543-Y546 HydrophobicContact CD1-CD2 3.31Å; I543-Y546 HydrophobicContact CD1-CE2 3.55Å; I543-Y546 HydrophobicContact CD1-CG 3.89Å; I543-Y546 HydrophobicContact CG1-CD2 4.37Å; I543-Y546 HydrophobicContact CG2-CD2 3.84Å; I543-Y546 HydrophobicContact CG2-CG 4.23Å; Y546-E548 PolarHBondContact O-N 2.89Å; Y546-M550 HydrophobicContact CE1-CB 4.41Å | ||
| 547 | P | 45.4 | Very low | 62.8 | Low | 76 Ų | 76 | 67.2 Ų | 67.2 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | trans | -62.8 | 128.1 | -176 | 24.6 | -33.8 | 0 | 0 | 0 | 111.2 | T549 M550 | P547-T549 PolarHBondContact O-N 2.89Å; P547-M550 PolarHBondContact O-N 3.44Å | ||
| 548 | E | 46.7 | Very low | 63 | Low | 190 Ų | 190 | 66.2 Ų | 66.2 | 89% | 0.888 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -47 | -18.4 | 177 | -67.3 | 172.8 | 158.2 | 0 | 0 | 113.8 | Y546 M550 G551 | Y546-E548 PolarHBondContact O-N 2.89Å; E548-M550 VanDerWaalsContact C-N 3.31Å; E548-M550 PolarHBondContact O-N 3.26Å; E548-G551 WeakPolarHBondContact O-CA 2.99Å; E548-G551 PolarHBondContact O-N 3.43Å |
| 549 | T | 42.6 | Very low | 63.5 | Low | 109 Ų | 109 | 65.3 Ų | 65.3 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -68.3 | -15.5 | -179.2 | 55 | 0 | 0 | 0 | 0 | 115.9 | P547 Q554 | P547-T549 PolarHBondContact O-N 2.89Å; T549-Q554 PolarHBondContact O-NE2 2.88Å |
| 550 | M | 49.9 | Very low | 64.1 | Low | 45 Ų | 45 | 66.7 Ų | 66.7 | 22% | 0.222 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -102.7 | 25.4 | 168.1 | -70.5 | -135.7 | 148.6 | 0 | 0 | 112.6 | L513 Y546 P547 E548 Q554 | L513-M550 HydrophobicContact CD2-CE 3.01Å; L513-M550 HydrophobicContact CD2-SD 3.64Å; L513-M550 HydrophobicContact CG-CE 4.44Å; Y546-M550 HydrophobicContact CE1-CB 4.41Å; P547-M550 PolarHBondContact O-N 3.44Å; E548-M550 VanDerWaalsContact C-N 3.31Å; E548-M550 PolarHBondContact O-N 3.26Å; M550-Q554 PolarHBondContact SD-OE1 2.75Å; M550-Q554 VanDerWaalsContact SD-OE1 3.41Å |
| 551 | G | 63.2 | Low | 64.9 | Low | 22 Ų | 22 | 66.6 Ų | 66.6 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -65.5 | -170.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | E548 D553 Q554 | E548-G551 WeakPolarHBondContact O-CA 2.99Å; E548-G551 PolarHBondContact O-N 3.43Å; G551-D553 PolarHBondContact O-N 3.05Å; G551-Q554 PolarHBondContact O-N 3.16Å |
| 552 | C | 66.2 | Low | 65.6 | Low | 30 Ų | 30 | 59.8 Ų | 59.8 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -44.5 | -32.4 | 179.7 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | Q554 Q555 L556 I579 M583 | C552-Q554 PolarHBondContact O-N 3.44Å; C552-Q555 WeakPolarHBondContact O-CB 3.32Å; C552-Q555 PolarHBondContact O-N 3.1Å; C552-L556 WeakPolarHBondContact O-CB 3.45Å; C552-L556 WeakPolarHBondContact O-CG 3.22Å; C552-L556 PolarHBondContact O-N 3.26Å; C552-I579 HydrophobicContact CB-CG2 3.67Å; C552-M583 HydrophobicContact CB-CE 4.07Å; C552-M583 HydrophobicContact CB-CG 3.8Å; C552-M583 HydrophobicContact CB-SD 3.4Å; C552-M583 WeakPolarHBondContact CB-SD 3.48Å |
| 553 | D | 72.5 | Confident | 66.7 | Low | 107 Ų | 107 | 59.9 Ų | 59.9 | 57% | 0.572 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.3 | -41.5 | 177.2 | -64.4 | -13.2 | 0 | 0 | 0 | 114.6 | G551 L556 N557 | G551-D553 PolarHBondContact O-N 3.05Å; D553-L556 PolarHBondContact O-N 3.36Å; D553-N557 WeakPolarHBondContact O-CB 3.35Å; D553-N557 PolarHBondContact O-N 3.17Å; D553-N557 PolarHBondContact O-ND2 3.29Å |
| 554 | Q | 73.3 | Confident | 67.9 | Low | 59 Ų | 59 | 65.3 Ų | 65.3 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74 | -34.4 | 178.2 | -67.4 | -167.3 | 9.1 | 0 | 0 | 111.8 | M536 T549 M550 G551 C552 N557 A558 | M536-Q554 HydrophobicContact SD-CB 4.23Å; T549-Q554 PolarHBondContact O-NE2 2.88Å; M550-Q554 PolarHBondContact SD-OE1 2.75Å; M550-Q554 VanDerWaalsContact SD-OE1 3.41Å; G551-Q554 PolarHBondContact O-N 3.16Å; C552-Q554 PolarHBondContact O-N 3.44Å; Q554-N557 PolarHBondContact O-N 3.33Å; Q554-A558 PolarHBondContact O-N 2.82Å |
| 555 | Q | 78.8 | Confident | 69.1 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 172.4 | -60.2 | 179.4 | 18.6 | 0 | 0 | 110.2 | M536 T540 C552 N557 A558 F559 I579 | M536-Q555 HydrophobicContact CB-CG 3.71Å; M536-Q555 PolarHBondContact O-NE2 3.46Å; T540-Q555 PolarHBondContact OG1-NE2 3.38Å; T540-Q555 VanDerWaalsContact OG1-NE2 3.11Å; C552-Q555 WeakPolarHBondContact O-CB 3.32Å; C552-Q555 PolarHBondContact O-N 3.1Å; Q555-N557 VanDerWaalsContact C-N 3.32Å; Q555-N557 PolarHBondContact O-N 3.21Å; Q555-A558 PolarHBondContact O-N 2.84Å; Q555-F559 HydrophobicContact CB-CD2 4.5Å; Q555-F559 HydrophobicContact CB-CE2 4.39Å; Q555-F559 WeakPolarHBondContact O-CD2 3.42Å; Q555-F559 PolarHBondContact O-N 3.49Å; Q555-I579 HydrophobicContact CB-CD1 3.56Å; Q555-I579 HydrophobicContact CB-CG1 4.42Å |
| 556 | L | 83.2 | Confident | 70.4 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 173.3 | -73.5 | 170.6 | 0 | 0 | 0 | 111.1 | C552 D553 S560 L576 I579 | C552-L556 WeakPolarHBondContact O-CB 3.45Å; C552-L556 WeakPolarHBondContact O-CG 3.22Å; C552-L556 PolarHBondContact O-N 3.26Å; D553-L556 PolarHBondContact O-N 3.36Å; L556-S560 WeakPolarHBondContact O-CB 3.22Å; L556-S560 PolarHBondContact O-N 3.45Å; L556-S560 PolarHBondContact O-OG 3.37Å; L556-L576 HydrophobicContact CD2-CD2 3.62Å; L556-I579 HydrophobicContact CD1-CG2 4.2Å; L556-I579 HydrophobicContact CD2-CB 4.01Å; L556-I579 HydrophobicContact CD2-CD1 4.41Å; L556-I579 HydrophobicContact CD2-CG2 3.73Å; L556-I579 HydrophobicContact CG-CB 4.46Å; L556-I579 HydrophobicContact CG-CG2 3.7Å |
| 557 | N | 82.8 | Confident | 71.9 | Confident | 98 Ų | 98 | 59 Ų | 59 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.5 | -74.5 | -20.1 | 0 | 0 | 0 | 112.3 | D553 Q554 Q555 S560 L561 | D553-N557 WeakPolarHBondContact O-CB 3.35Å; D553-N557 PolarHBondContact O-N 3.17Å; D553-N557 PolarHBondContact O-ND2 3.29Å; Q554-N557 PolarHBondContact O-N 3.33Å; Q555-N557 VanDerWaalsContact C-N 3.32Å; Q555-N557 PolarHBondContact O-N 3.21Å; N557-S560 WeakPolarHBondContact CA-OG 3.27Å; N557-S560 PolarHBondContact O-OG 3.18Å; N557-L561 WeakPolarHBondContact O-CB 3.28Å; N557-L561 VanDerWaalsContact O-CG 3.24Å; N557-L561 WeakPolarHBondContact O-CG 3.41Å; N557-L561 PolarHBondContact O-N 3.23Å |
| 558 | A | 82.1 | Confident | 73.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I532 M536 Q554 Q555 S560 L561 G562 | I532-A558 HydrophobicContact CG2-CB 3.94Å; M536-A558 HydrophobicContact SD-CB 4.42Å; Q554-A558 PolarHBondContact O-N 2.82Å; Q555-A558 PolarHBondContact O-N 2.84Å; A558-S560 PolarHBondContact O-N 3.34Å; A558-L561 PolarHBondContact O-N 3.25Å; A558-G562 PolarHBondContact O-N 3.02Å |
| 559 | F | 86 | Confident | 75.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 179.5 | -66.4 | -62.6 | 0 | 0 | 0 | 112.6 | Y530 Q555 G562 V563 Q575 L576 I579 | Y530-F559 HydrophobicContact CD2-CD1 4.04Å; Y530-F559 AromaticContact CD2-CE1 3.63Å; Y530-F559 HydrophobicContact CD2-CE1 3.63Å; Y530-F559 AromaticContact CE2-CE1 3.9Å; Y530-F559 HydrophobicContact CE2-CE1 3.9Å; Y530-F559 HydrophobicContact CG-CE1 4.18Å; Y530-F559 WeakPolarHBondContact O-CE1 3.45Å; Q555-F559 HydrophobicContact CB-CD2 4.5Å; Q555-F559 HydrophobicContact CB-CE2 4.39Å; Q555-F559 WeakPolarHBondContact O-CD2 3.42Å; Q555-F559 PolarHBondContact O-N 3.49Å; F559-G562 WeakPolarHBondContact O-CA 3.48Å; F559-G562 PolarHBondContact O-N 2.96Å; F559-V563 WeakPolarHBondContact O-CG2 3.5Å; F559-V563 PolarHBondContact O-N 3.41Å; F559-Q575 HydrophobicContact CD1-CB 3.88Å; F559-Q575 HydrophobicContact CD1-CG 4.44Å; F559-Q575 HydrophobicContact CD2-CB 3.98Å; F559-Q575 HydrophobicContact CE1-CB 3.57Å; F559-Q575 HydrophobicContact CE1-CG 3.75Å; F559-Q575 HydrophobicContact CE2-CB 3.69Å; F559-Q575 HydrophobicContact CE2-CG 4.44Å; F559-Q575 HydrophobicContact CG-CB 4.08Å; F559-Q575 HydrophobicContact CZ-CB 3.46Å; F559-Q575 VanDerWaalsContact CZ-CB 3.46Å; F559-Q575 HydrophobicContact CZ-CG 3.74Å; F559-L576 HydrophobicContact CB-CD1 4.42Å; F559-L576 HydrophobicContact CB-CD2 3.61Å; F559-L576 HydrophobicContact CB-CG 3.68Å; F559-I579 HydrophobicContact CD2-CD1 3.41Å; F559-I579 VanDerWaalsContact CD2-CD1 3.41Å; F559-I579 HydrophobicContact CE2-CD1 3.58Å |
| 560 | S | 85.1 | Confident | 77 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.9 | -38.6 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 113 | L556 N557 A558 G562 V563 Q564 | L556-S560 WeakPolarHBondContact O-CB 3.22Å; L556-S560 PolarHBondContact O-N 3.45Å; L556-S560 PolarHBondContact O-OG 3.37Å; N557-S560 WeakPolarHBondContact CA-OG 3.27Å; N557-S560 PolarHBondContact O-OG 3.18Å; A558-S560 PolarHBondContact O-N 3.34Å; S560-G562 VanDerWaalsContact C-N 3.27Å; S560-G562 PolarHBondContact O-N 3.18Å; S560-V563 PolarHBondContact O-N 2.85Å; S560-Q564 WeakPolarHBondContact O-CG 3.26Å; S560-Q564 PolarHBondContact O-N 3.45Å |
| 561 | L | 82.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 168.2 | -75.4 | 171.6 | 0 | 0 | 0 | 110.7 | Q529 N557 A558 V563 Q564 F565 | Q529-L561 HydrophobicContact CG-CB 4.44Å; N557-L561 WeakPolarHBondContact O-CB 3.28Å; N557-L561 VanDerWaalsContact O-CG 3.24Å; N557-L561 WeakPolarHBondContact O-CG 3.41Å; N557-L561 PolarHBondContact O-N 3.23Å; A558-L561 PolarHBondContact O-N 3.25Å; L561-V563 VanDerWaalsContact C-N 3.32Å; L561-V563 PolarHBondContact O-N 3.06Å; L561-Q564 PolarHBondContact O-N 3.41Å; L561-F565 HydrophobicContact CB-CE2 4.3Å; L561-F565 WeakPolarHBondContact O-CD2 3.46Å; L561-F565 WeakPolarHBondContact O-CG 3.37Å; L561-F565 PolarHBondContact O-N 3.34Å |
| 562 | G | 81.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A558 F559 S560 F565 D566 N572 | A558-G562 PolarHBondContact O-N 3.02Å; F559-G562 WeakPolarHBondContact O-CA 3.48Å; F559-G562 PolarHBondContact O-N 2.96Å; S560-G562 VanDerWaalsContact C-N 3.27Å; S560-G562 PolarHBondContact O-N 3.18Å; G562-F565 PolarHBondContact O-N 3.38Å; G562-D566 PolarHBondContact O-N 3.36Å; G562-N572 VanDerWaalsContact CA-ND2 3.34Å; G562-N572 WeakPolarHBondContact CA-ND2 3.31Å; G562-N572 PolarHBondContact O-ND2 3.42Å |
| 563 | V | 83 | Confident | 80.9 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 174.8 | 171 | 0 | 0 | 0 | 0 | 112.2 | F559 S560 L561 F565 D566 K567 N572 Y573 L576 | F559-V563 WeakPolarHBondContact O-CG2 3.5Å; F559-V563 PolarHBondContact O-N 3.41Å; S560-V563 PolarHBondContact O-N 2.85Å; L561-V563 VanDerWaalsContact C-N 3.32Å; L561-V563 PolarHBondContact O-N 3.06Å; V563-F565 VanDerWaalsContact C-N 3.31Å; V563-F565 PolarHBondContact O-N 2.84Å; V563-D566 CarbonylContact O-C 3.57Å; V563-D566 VanDerWaalsContact O-C 3.28Å; V563-D566 PolarHBondContact O-N 3.45Å; V563-K567 PolarHBondContact O-N 3.44Å; V563-N572 HydrophobicContact CG2-CB 3.7Å; V563-Y573 HydrophobicContact CG1-CE1 3.86Å; V563-Y573 HydrophobicContact CG1-CE2 4.01Å; V563-Y573 VanDerWaalsContact CG1-CZ 3.42Å; V563-Y573 WeakPolarHBondContact CG1-OH 3.19Å; V563-Y573 HydrophobicContact CG2-CD1 4.25Å; V563-Y573 HydrophobicContact CG2-CD2 4.15Å; V563-Y573 HydrophobicContact CG2-CE1 4.07Å; V563-Y573 HydrophobicContact CG2-CE2 3.96Å; V563-Y573 HydrophobicContact CG2-CG 4.31Å; V563-L576 HydrophobicContact CG2-CD1 3.88Å |
| 564 | Q | 78.9 | Confident | 81.6 | Confident | 139 Ų | 139 | 35 Ų | 35 | 65% | 0.65 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.9 | -36.7 | 177.1 | -73.2 | 178 | 8.9 | 0 | 0 | 112.2 | S560 L561 | S560-Q564 WeakPolarHBondContact O-CG 3.26Å; S560-Q564 PolarHBondContact O-N 3.45Å; L561-Q564 PolarHBondContact O-N 3.41Å |
| 565 | F | 74.9 | Confident | 82.2 | Confident | 75 Ų | 75 | 32.7 Ų | 32.7 | 33% | 0.329 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -74.1 | -34.8 | 178.9 | -67.9 | -48 | 0 | 0 | 0 | 113.3 | H524 T526 Q529 L561 G562 V563 | H524-F565 HydrophobicContact CB-CD1 4.31Å; H524-F565 HydrophobicContact CB-CE1 4.33Å; H524-F565 AromaticContact ND1-CD1 3.92Å; H524-F565 AromaticContact ND1-CE1 3.17Å; H524-F565 WeakPolarHBondContact ND1-CE1 3.39Å; H524-F565 AromaticContact ND1-CZ 3.66Å; T526-F565 HydrophobicContact CG2-CB 3.48Å; T526-F565 VanDerWaalsContact CG2-CB 3.48Å; Q529-F565 HydrophobicContact CG-CD2 4.05Å; Q529-F565 HydrophobicContact CG-CE2 3.93Å; L561-F565 HydrophobicContact CB-CE2 4.3Å; L561-F565 WeakPolarHBondContact O-CD2 3.46Å; L561-F565 WeakPolarHBondContact O-CG 3.37Å; L561-F565 PolarHBondContact O-N 3.34Å; G562-F565 PolarHBondContact O-N 3.38Å; V563-F565 VanDerWaalsContact C-N 3.31Å; V563-F565 PolarHBondContact O-N 2.84Å |
| 566 | D | 73.3 | Confident | 82.7 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | trans | -153.6 | 111.3 | 174 | -169.6 | -17.5 | 0 | 0 | 0 | 110 | Y309 T526 G562 V563 C568 Y569 | Y309-D566 WeakPolarHBondContact CE2-OD2 3.48Å; Y309-D566 PolarHBondContact OH-OD2 2.88Å; Y309-D566 VanDerWaalsContact OH-OD2 3.08Å; T526-D566 HydrophobicContact CG2-CB 3.1Å; T526-D566 VanDerWaalsContact CG2-N 3.32Å; G562-D566 PolarHBondContact O-N 3.36Å; V563-D566 CarbonylContact O-C 3.57Å; V563-D566 VanDerWaalsContact O-C 3.28Å; V563-D566 PolarHBondContact O-N 3.45Å; D566-C568 PolarHBondContact O-N 3.46Å; D566-C568 VanDerWaalsContact OD1-CB 3.28Å; D566-C568 WeakPolarHBondContact OD1-CB 3.35Å; D566-C568 PolarHBondContact OD1-N 3.1Å; D566-Y569 PolarHBondContact O-N 2.94Å | ||
| 567 | K | 76.9 | Confident | 82.9 | Confident | 116 Ų | 116 | 32.1 Ų | 32.1 | 50% | 0.504 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.9 | -179 | -63 | -179.1 | -180 | -178.5 | 0 | 112.8 | V563 Y573 L599 | V563-K567 PolarHBondContact O-N 3.44Å; K567-Y573 WeakPolarHBondContact O-CE2 3.32Å; K567-L599 WeakPolarHBondContact O-CD1 3.33Å |
| 568 | C | 76.9 | Confident | 83.1 | Confident | 18 Ų | 18 | 28 Ų | 28 | 12% | 0.122 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8.5 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 113 | Y262 Y309 D566 Y570 | Y262-C568 VanDerWaalsContact CD1-SG 3.51Å; Y309-C568 HydrophobicContact CD2-CB 3.87Å; Y309-C568 WeakPolarHBondContact CD2-O 3.24Å; Y309-C568 HydrophobicContact CE2-CB 4.05Å; D566-C568 PolarHBondContact O-N 3.46Å; D566-C568 VanDerWaalsContact OD1-CB 3.28Å; D566-C568 WeakPolarHBondContact OD1-CB 3.35Å; D566-C568 PolarHBondContact OD1-N 3.1Å; C568-Y570 PolarHBondContact O-N 3.4Å; C568-Y570 VanDerWaalsContact O-N 3.16Å |
| 569 | Y | 82.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -82.7 | 96.5 | -177.8 | -168 | -125.4 | 0 | 0 | 0 | 112.6 | Y309 N400 R527 Y530 D566 A571 N572 | Y309-Y569 AromaticContact CD1-CD2 3.7Å; Y309-Y569 HydrophobicContact CD1-CD2 3.7Å; Y309-Y569 HydrophobicContact CD1-CE2 4.17Å; Y309-Y569 HydrophobicContact CD2-CD2 4.44Å; Y309-Y569 AromaticContact CE1-CD2 3.31Å; Y309-Y569 HydrophobicContact CE1-CD2 3.31Å; Y309-Y569 AromaticContact CE1-CE2 3.87Å; Y309-Y569 HydrophobicContact CE1-CE2 3.87Å; Y309-Y569 HydrophobicContact CE1-CG 4.2Å; Y309-Y569 HydrophobicContact CE2-CD2 4.11Å; Y309-Y569 HydrophobicContact CE2-CG 4.43Å; Y309-Y569 HydrophobicContact CG-CD2 4.24Å; Y309-Y569 AromaticContact CZ-CD2 3.53Å; Y309-Y569 AromaticContact CZ-CG 3.97Å; N400-Y569 HydrophobicContact CB-CE2 4.4Å; N400-Y569 WeakPolarHBondContact O-CE2 3.46Å; N400-Y569 PolarHBondContact O-OH 2.69Å; R527-Y569 WeakPolarHBondContact CD-OH 3.32Å; R527-Y569 PolarHBondContact NH1-OH 3.48Å; Y530-Y569 HydrophobicContact CD2-CE1 4.01Å; Y530-Y569 HydrophobicContact CG-CE1 4.02Å; D566-Y569 PolarHBondContact O-N 2.94Å; Y569-A571 VanDerWaalsContact C-N 3.3Å; Y569-A571 HydrophobicContact CD1-CB 4.4Å; Y569-A571 HydrophobicContact CE1-CB 3.75Å; Y569-A571 HydrophobicContact CE2-CB 4.27Å; Y569-A571 PolarHBondContact O-N 3.22Å; Y569-N572 HydrophobicContact CD1-CB 4.45Å; Y569-N572 PolarHBondContact O-N 2.57Å | ||
| 570 | Y | 83.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -33.3 | -172.4 | 86.8 | -82.2 | 0 | 0 | 0 | 114.9 | F311 S401 C568 N572 Y573 L574 M600 C606 | F311-Y570 AromaticContact CE2-CD1 3.88Å; F311-Y570 HydrophobicContact CE2-CD1 3.88Å; F311-Y570 AromaticContact CE2-CE1 3.49Å; F311-Y570 HydrophobicContact CE2-CE1 3.49Å; F311-Y570 VanDerWaalsContact CE2-CE1 3.49Å; F311-Y570 HydrophobicContact CZ-CD1 4.27Å; F311-Y570 AromaticContact CZ-CE1 3.87Å; F311-Y570 HydrophobicContact CZ-CE1 3.87Å; S401-Y570 PolarHBondContact O-OH 3.07Å; C568-Y570 PolarHBondContact O-N 3.4Å; C568-Y570 VanDerWaalsContact O-N 3.16Å; Y570-N572 VanDerWaalsContact C-N 3.3Å; Y570-N572 PolarHBondContact O-N 2.98Å; Y570-Y573 WeakPolarHBondContact O-CB 3.36Å; Y570-Y573 PolarHBondContact O-N 3.28Å; Y570-Y573 VanDerWaalsContact O-N 3.16Å; Y570-L574 PolarHBondContact O-N 3.33Å; Y570-M600 HydrophobicContact CD1-SD 4.26Å; Y570-M600 HydrophobicContact CD2-CB 4.49Å; Y570-M600 HydrophobicContact CD2-SD 4.47Å; Y570-M600 HydrophobicContact CE1-SD 3.99Å; Y570-M600 HydrophobicContact CE2-SD 4.19Å; Y570-M600 HydrophobicContact CG-CB 4.34Å; Y570-M600 HydrophobicContact CG-SD 4.49Å; Y570-C606 VanDerWaalsContact CD2-SG 3.53Å |
| 571 | A | 85.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -30.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y530 Y569 L574 Q575 | Y530-A571 HydrophobicContact CD2-CB 4.03Å; Y530-A571 HydrophobicContact CE2-CB 3.65Å; Y569-A571 VanDerWaalsContact C-N 3.3Å; Y569-A571 HydrophobicContact CD1-CB 4.4Å; Y569-A571 HydrophobicContact CE1-CB 3.75Å; Y569-A571 HydrophobicContact CE2-CB 4.27Å; Y569-A571 PolarHBondContact O-N 3.22Å; A571-L574 WeakPolarHBondContact O-CB 3.49Å; A571-L574 PolarHBondContact O-N 2.96Å; A571-Q575 WeakPolarHBondContact O-CG 3.37Å; A571-Q575 PolarHBondContact O-N 2.9Å |
| 572 | N | 86.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 173 | -77.4 | -26.4 | 0 | 0 | 0 | 111 | Y530 G562 V563 Y569 Y570 L574 Q575 L576 | Y530-N572 VanDerWaalsContact CB-OD1 3.3Å; Y530-N572 WeakPolarHBondContact CB-OD1 3.48Å; Y530-N572 VanDerWaalsContact CD2-OD1 3.31Å; Y530-N572 WeakPolarHBondContact CD2-OD1 3.35Å; G562-N572 VanDerWaalsContact CA-ND2 3.34Å; G562-N572 WeakPolarHBondContact CA-ND2 3.31Å; G562-N572 PolarHBondContact O-ND2 3.42Å; V563-N572 HydrophobicContact CG2-CB 3.7Å; Y569-N572 HydrophobicContact CD1-CB 4.45Å; Y569-N572 PolarHBondContact O-N 2.57Å; Y570-N572 VanDerWaalsContact C-N 3.3Å; Y570-N572 PolarHBondContact O-N 2.98Å; N572-L574 VanDerWaalsContact C-N 3.33Å; N572-L574 PolarHBondContact O-N 2.75Å; N572-Q575 PolarHBondContact O-N 2.85Å; N572-L576 WeakPolarHBondContact O-CG 3.32Å; N572-L576 PolarHBondContact O-N 3.29Å |
| 573 | Y | 89.1 | Confident | 82.8 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 13% | 0.125 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 175.8 | -69.8 | -80.3 | 0 | 0 | 0 | 112.4 | V563 K567 Y570 L576 G577 S592 E595 L599 | V563-Y573 HydrophobicContact CG1-CE1 3.86Å; V563-Y573 HydrophobicContact CG1-CE2 4.01Å; V563-Y573 VanDerWaalsContact CG1-CZ 3.42Å; V563-Y573 WeakPolarHBondContact CG1-OH 3.19Å; V563-Y573 HydrophobicContact CG2-CD1 4.25Å; V563-Y573 HydrophobicContact CG2-CD2 4.15Å; V563-Y573 HydrophobicContact CG2-CE1 4.07Å; V563-Y573 HydrophobicContact CG2-CE2 3.96Å; V563-Y573 HydrophobicContact CG2-CG 4.31Å; K567-Y573 WeakPolarHBondContact O-CE2 3.32Å; Y570-Y573 WeakPolarHBondContact O-CB 3.36Å; Y570-Y573 PolarHBondContact O-N 3.28Å; Y570-Y573 VanDerWaalsContact O-N 3.16Å; Y573-L576 PolarHBondContact O-N 2.72Å; Y573-G577 PolarHBondContact O-N 3.48Å; Y573-S592 WeakPolarHBondContact CB-O 3.48Å; Y573-S592 WeakPolarHBondContact O-CB 3.34Å; Y573-E595 HydrophobicContact CD1-CB 3.62Å; Y573-E595 HydrophobicContact CD1-CG 4.32Å; Y573-E595 HydrophobicContact CE1-CB 3.83Å; Y573-E595 HydrophobicContact CE1-CG 4.14Å; Y573-E595 HydrophobicContact CG-CB 3.98Å; Y573-L599 HydrophobicContact CD2-CD1 3.6Å; Y573-L599 HydrophobicContact CE2-CD1 3.61Å |
| 574 | L | 87.1 | Confident | 82.6 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.7 | -168.8 | 83.1 | 0 | 0 | 0 | 111.6 | Y570 A571 N572 G577 H578 Y593 A596 V605 C606 Y609 | Y570-L574 PolarHBondContact O-N 3.33Å; A571-L574 WeakPolarHBondContact O-CB 3.49Å; A571-L574 PolarHBondContact O-N 2.96Å; N572-L574 VanDerWaalsContact C-N 3.33Å; N572-L574 PolarHBondContact O-N 2.75Å; L574-G577 PolarHBondContact O-N 3.03Å; L574-H578 PolarHBondContact O-CD2 3.47Å; L574-H578 PolarHBondContact O-N 3.37Å; L574-Y593 HydrophobicContact CD1-CD1 4.31Å; L574-Y593 HydrophobicContact CD1-CE1 4.43Å; L574-Y593 WeakPolarHBondContact O-CE1 3.48Å; L574-A596 HydrophobicContact CB-CB 4.33Å; L574-A596 HydrophobicContact CD1-CB 4.47Å; L574-V605 HydrophobicContact CD2-CG1 4.25Å; L574-C606 HydrophobicContact CD1-CB 4.45Å; L574-Y609 HydrophobicContact CD1-CD2 4.13Å |
| 575 | Q | 86.7 | Confident | 82.8 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.6 | -37.3 | 178.6 | -62.4 | -60.4 | -21.1 | 0 | 0 | 112.6 | Y530 F559 A571 N572 G577 H578 I579 | Y530-Q575 HydrophobicContact CD2-CG 4.43Å; Y530-Q575 HydrophobicContact CE2-CG 3.51Å; Y530-Q575 PolarHBondContact OH-NE2 3.42Å; Y530-Q575 VanDerWaalsContact OH-NE2 3.16Å; F559-Q575 HydrophobicContact CD1-CB 3.88Å; F559-Q575 HydrophobicContact CD1-CG 4.44Å; F559-Q575 HydrophobicContact CD2-CB 3.98Å; F559-Q575 HydrophobicContact CE1-CB 3.57Å; F559-Q575 HydrophobicContact CE1-CG 3.75Å; F559-Q575 HydrophobicContact CE2-CB 3.69Å; F559-Q575 HydrophobicContact CE2-CG 4.44Å; F559-Q575 HydrophobicContact CG-CB 4.08Å; F559-Q575 HydrophobicContact CZ-CB 3.46Å; F559-Q575 VanDerWaalsContact CZ-CB 3.46Å; F559-Q575 HydrophobicContact CZ-CG 3.74Å; A571-Q575 WeakPolarHBondContact O-CG 3.37Å; A571-Q575 PolarHBondContact O-N 2.9Å; N572-Q575 PolarHBondContact O-N 2.85Å; Q575-G577 VanDerWaalsContact C-N 3.25Å; Q575-G577 PolarHBondContact O-N 2.71Å; Q575-H578 WeakPolarHBondContact O-CB 3.33Å; Q575-H578 PolarHBondContact O-N 3.46Å; Q575-H578 VanDerWaalsContact O-N 3.1Å; Q575-H578 PolarHBondContact OE1-CD2 3.32Å; Q575-I579 WeakPolarHBondContact O-CG1 3.34Å; Q575-I579 PolarHBondContact O-N 3.33Å |
| 576 | L | 88.3 | Confident | 83.1 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.5 | -45.9 | 168.7 | -74.5 | 172.8 | 0 | 0 | 0 | 110.4 | L556 F559 V563 N572 Y573 H578 I579 H580 | L556-L576 HydrophobicContact CD2-CD2 3.62Å; F559-L576 HydrophobicContact CB-CD1 4.42Å; F559-L576 HydrophobicContact CB-CD2 3.61Å; F559-L576 HydrophobicContact CB-CG 3.68Å; V563-L576 HydrophobicContact CG2-CD1 3.88Å; N572-L576 WeakPolarHBondContact O-CG 3.32Å; N572-L576 PolarHBondContact O-N 3.29Å; Y573-L576 PolarHBondContact O-N 2.72Å; L576-H578 VanDerWaalsContact C-N 3.34Å; L576-H578 PolarHBondContact O-N 3.44Å; L576-I579 PolarHBondContact O-N 3.29Å; L576-H580 PolarHBondContact O-CD2 3.23Å; L576-H580 PolarHBondContact O-N 3.16Å |
| 577 | G | 87 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y573 L574 Q575 R581 Y593 | Y573-G577 PolarHBondContact O-N 3.48Å; L574-G577 PolarHBondContact O-N 3.03Å; Q575-G577 VanDerWaalsContact C-N 3.25Å; Q575-G577 PolarHBondContact O-N 2.71Å; G577-R581 VanDerWaalsContact O-CB 3.31Å; G577-R581 WeakPolarHBondContact O-CB 3.31Å; G577-R581 PolarHBondContact O-N 3.15Å; G577-Y593 PolarHBondContact O-OH 3.27Å |
| 578 | H | 86.8 | Confident | 84.1 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 174.7 | -70.1 | -47.3 | 0 | 0 | 0 | 112.7 | L574 Q575 L576 R581 E582 Y593 Y609 | L574-H578 PolarHBondContact O-CD2 3.47Å; L574-H578 PolarHBondContact O-N 3.37Å; Q575-H578 WeakPolarHBondContact O-CB 3.33Å; Q575-H578 PolarHBondContact O-N 3.46Å; Q575-H578 VanDerWaalsContact O-N 3.1Å; Q575-H578 PolarHBondContact OE1-CD2 3.32Å; L576-H578 VanDerWaalsContact C-N 3.34Å; L576-H578 PolarHBondContact O-N 3.44Å; H578-R581 WeakPolarHBondContact O-CB 3.37Å; H578-R581 PolarHBondContact O-N 3.42Å; H578-E582 WeakPolarHBondContact O-CG 3.25Å; H578-E582 PolarHBondContact O-N 2.93Å; H578-Y593 VanDerWaalsContact CA-OH 3.26Å; H578-Y593 WeakPolarHBondContact CA-OH 3.33Å; H578-Y593 PolarHBondContact CE1-OH 3.19Å; H578-Y593 PolarHBondContact N-OH 2.94Å; H578-Y593 VanDerWaalsContact N-OH 3.15Å; H578-Y593 AromaticContact ND1-CZ 3.9Å; H578-Y593 PolarHBondContact ND1-OH 3.25Å; H578-Y609 AromaticContact CE1-CD1 3.59Å; H578-Y609 AromaticContact CE1-CD2 3.52Å; H578-Y609 AromaticContact CE1-CE1 3.52Å; H578-Y609 AromaticContact CE1-CE2 3.44Å; H578-Y609 VanDerWaalsContact CE1-CE2 3.44Å; H578-Y609 WeakPolarHBondContact CE1-CE2 3.28Å; H578-Y609 AromaticContact CE1-CG 3.59Å; H578-Y609 AromaticContact CE1-CZ 3.43Å; H578-Y609 VanDerWaalsContact CE1-CZ 3.43Å; H578-Y609 AromaticContact NE2-CD2 3.9Å; H578-Y609 AromaticContact NE2-CE2 3.7Å |
| 579 | I | 85.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.9 | -46 | -179.9 | -62.7 | 159.2 | 0 | 0 | 0 | 110.5 | C552 Q555 L556 F559 Q575 L576 R581 E582 M583 | C552-I579 HydrophobicContact CB-CG2 3.67Å; Q555-I579 HydrophobicContact CB-CD1 3.56Å; Q555-I579 HydrophobicContact CB-CG1 4.42Å; L556-I579 HydrophobicContact CD1-CG2 4.2Å; L556-I579 HydrophobicContact CD2-CB 4.01Å; L556-I579 HydrophobicContact CD2-CD1 4.41Å; L556-I579 HydrophobicContact CD2-CG2 3.73Å; L556-I579 HydrophobicContact CG-CB 4.46Å; L556-I579 HydrophobicContact CG-CG2 3.7Å; F559-I579 HydrophobicContact CD2-CD1 3.41Å; F559-I579 VanDerWaalsContact CD2-CD1 3.41Å; F559-I579 HydrophobicContact CE2-CD1 3.58Å; Q575-I579 WeakPolarHBondContact O-CG1 3.34Å; Q575-I579 PolarHBondContact O-N 3.33Å; L576-I579 PolarHBondContact O-N 3.29Å; I579-R581 PolarHBondContact O-N 2.64Å; I579-E582 PolarHBondContact O-N 2.85Å; I579-E582 VanDerWaalsContact O-N 3.08Å; I579-M583 HydrophobicContact CG2-CG 4.25Å; I579-M583 WeakPolarHBondContact O-CB 3.04Å; I579-M583 VanDerWaalsContact O-CG 3.27Å; I579-M583 WeakPolarHBondContact O-CG 3.35Å; I579-M583 PolarHBondContact O-N 3.15Å |
| 580 | H | 85.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -33.4 | 175.2 | -73 | -63.9 | 0 | 0 | 0 | 112 | L576 M583 E584 S585 E588 A589 | L576-H580 PolarHBondContact O-CD2 3.23Å; L576-H580 PolarHBondContact O-N 3.16Å; H580-M583 CarbonylContact O-C 3.57Å; H580-M583 PolarHBondContact O-N 2.97Å; H580-E584 PolarHBondContact O-N 3.39Å; H580-S585 CarbonylContact O-C 3.51Å; H580-S585 WeakPolarHBondContact O-CA 3.33Å; H580-S585 PolarHBondContact O-N 3.32Å; H580-E588 HydrophobicContact CB-CB 4.09Å; H580-E588 IonicContact CE1-OE2 3.53Å; H580-E588 PolarHBondContact CE1-OE2 3.18Å; H580-E588 IonicContact CG-OE2 3.65Å; H580-E588 WeakPolarHBondContact ND1-CB 3.15Å; H580-E588 IonicContact ND1-OE2 3.19Å; H580-E588 PolarHBondContact ND1-OE2 3.29Å; H580-A589 HydrophobicContact CB-CB 3.77Å |
| 581 | R | 82.6 | Confident | 85.2 | Confident | 72 Ų | 72 | 47 Ų | 47 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.4 | -37.9 | 174.7 | -169.5 | -176.3 | 72.7 | 169.8 | 1.2 | 112.7 | G577 H578 I579 M583 E584 F586 A589 | G577-R581 VanDerWaalsContact O-CB 3.31Å; G577-R581 WeakPolarHBondContact O-CB 3.31Å; G577-R581 PolarHBondContact O-N 3.15Å; H578-R581 WeakPolarHBondContact O-CB 3.37Å; H578-R581 PolarHBondContact O-N 3.42Å; I579-R581 PolarHBondContact O-N 2.64Å; R581-M583 VanDerWaalsContact C-N 3.33Å; R581-E584 PolarHBondContact O-N 3.3Å; R581-F586 HydrophobicContact CG-CE1 4.25Å; R581-A589 HydrophobicContact CB-CB 4.19Å |
| 582 | E | 79 | Confident | 85.3 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.8 | -34 | 173.5 | -73.6 | 173.8 | -174.8 | 0 | 0 | 111.5 | H578 I579 E584 | H578-E582 WeakPolarHBondContact O-CG 3.25Å; H578-E582 PolarHBondContact O-N 2.93Å; I579-E582 PolarHBondContact O-N 2.85Å; I579-E582 VanDerWaalsContact O-N 3.08Å; E582-E584 PolarHBondContact O-N 3.08Å |
| 583 | M | 80.2 | Confident | 85.6 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 42% | 0.424 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 9 | 172.2 | -64.7 | -69.8 | -84.4 | 0 | 0 | 113.7 | C552 I579 H580 R581 S585 | C552-M583 HydrophobicContact CB-CE 4.07Å; C552-M583 HydrophobicContact CB-CG 3.8Å; C552-M583 HydrophobicContact CB-SD 3.4Å; C552-M583 WeakPolarHBondContact CB-SD 3.48Å; I579-M583 HydrophobicContact CG2-CG 4.25Å; I579-M583 WeakPolarHBondContact O-CB 3.04Å; I579-M583 VanDerWaalsContact O-CG 3.27Å; I579-M583 WeakPolarHBondContact O-CG 3.35Å; I579-M583 PolarHBondContact O-N 3.15Å; H580-M583 CarbonylContact O-C 3.57Å; H580-M583 PolarHBondContact O-N 2.97Å; R581-M583 VanDerWaalsContact C-N 3.33Å; M583-S585 PolarHBondContact O-N 3.3Å; M583-S585 PolarHBondContact O-OG 3.46Å |
| 584 | E | 76.8 | Confident | 85.6 | Confident | 149 Ų | 149 | 47.4 Ų | 47.4 | 70% | 0.696 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 13.1 | -174.6 | -57.7 | -170.2 | 153.6 | 0 | 0 | 115.2 | H580 R581 E582 F586 | H580-E584 PolarHBondContact O-N 3.39Å; R581-E584 PolarHBondContact O-N 3.3Å; E582-E584 PolarHBondContact O-N 3.08Å; E584-F586 VanDerWaalsContact C-N 3.27Å; E584-F586 HydrophobicContact CB-CE2 4.27Å; E584-F586 HydrophobicContact CB-CZ 4.26Å; E584-F586 VanDerWaalsContact O-CD2 3.25Å; E584-F586 WeakPolarHBondContact O-CD2 3.02Å; E584-F586 WeakPolarHBondContact O-CE2 3.42Å; E584-F586 PolarHBondContact O-N 2.7Å |
| 585 | S | 84.3 | Confident | 85.6 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | trans | -84.4 | 67.6 | 179.3 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | H580 M583 K587 E588 A589 | H580-S585 CarbonylContact O-C 3.51Å; H580-S585 WeakPolarHBondContact O-CA 3.33Å; H580-S585 PolarHBondContact O-N 3.32Å; M583-S585 PolarHBondContact O-N 3.3Å; M583-S585 PolarHBondContact O-OG 3.46Å; S585-K587 PolarHBondContact O-N 2.79Å; S585-K587 VanDerWaalsContact O-N 3.1Å; S585-E588 PolarHBondContact O-N 3.18Å; S585-A589 PolarHBondContact O-N 2.98Å | ||
| 586 | F | 80.8 | Confident | 85.5 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -24.5 | -172.3 | -59.3 | -61.2 | 0 | 0 | 0 | 114.8 | R581 E584 L590 K616 Q617 | R581-F586 HydrophobicContact CG-CE1 4.25Å; E584-F586 VanDerWaalsContact C-N 3.27Å; E584-F586 HydrophobicContact CB-CE2 4.27Å; E584-F586 HydrophobicContact CB-CZ 4.26Å; E584-F586 VanDerWaalsContact O-CD2 3.25Å; E584-F586 WeakPolarHBondContact O-CD2 3.02Å; E584-F586 WeakPolarHBondContact O-CE2 3.42Å; E584-F586 PolarHBondContact O-N 2.7Å; F586-L590 WeakPolarHBondContact O-CB 3.43Å; F586-L590 PolarHBondContact O-N 3.48Å; F586-K616 HydrophobicContact CD1-CB 4.46Å; F586-K616 HydrophobicContact CD1-CD 3.66Å; F586-K616 HydrophobicContact CE1-CD 3.33Å; F586-K616 VanDerWaalsContact CE1-NZ 3.31Å; F586-K616 HydrophobicContact CZ-CD 3.92Å; F586-Q617 PolarHBondContact O-NE2 3.18Å |
| 587 | K | 84.7 | Confident | 85.4 | Confident | 167 Ų | 167 | 49.7 Ų | 49.7 | 73% | 0.726 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.5 | -48.6 | 176.9 | -68.8 | -175.5 | 179 | -178.4 | 0 | 112 | S585 A589 L590 T591 | S585-K587 PolarHBondContact O-N 2.79Å; S585-K587 VanDerWaalsContact O-N 3.1Å; K587-A589 VanDerWaalsContact C-N 3.33Å; K587-L590 PolarHBondContact O-N 3.22Å; K587-T591 PolarHBondContact O-N 3.4Å; K587-T591 VanDerWaalsContact O-N 3.12Å |
| 588 | E | 86.1 | Confident | 85.2 | Confident | 96 Ų | 96 | 57 Ų | 57 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.4 | -31.8 | 177.8 | -62.6 | 175 | 166.7 | 0 | 0 | 111.6 | H580 S585 L590 T591 S592 | H580-E588 HydrophobicContact CB-CB 4.09Å; H580-E588 IonicContact CE1-OE2 3.53Å; H580-E588 PolarHBondContact CE1-OE2 3.18Å; H580-E588 IonicContact CG-OE2 3.65Å; H580-E588 WeakPolarHBondContact ND1-CB 3.15Å; H580-E588 IonicContact ND1-OE2 3.19Å; H580-E588 PolarHBondContact ND1-OE2 3.29Å; S585-E588 PolarHBondContact O-N 3.18Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-T591 WeakPolarHBondContact CA-OG1 3.44Å; E588-T591 PolarHBondContact O-N 3.5Å; E588-T591 PolarHBondContact O-OG1 3.41Å; E588-S592 WeakPolarHBondContact O-CB 3.29Å; E588-S592 PolarHBondContact O-N 3.15Å; E588-S592 PolarHBondContact O-OG 2.9Å |
| 589 | A | 87.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H580 R581 S585 K587 S592 Y593 | H580-A589 HydrophobicContact CB-CB 3.77Å; R581-A589 HydrophobicContact CB-CB 4.19Å; S585-A589 PolarHBondContact O-N 2.98Å; K587-A589 VanDerWaalsContact C-N 3.33Å; A589-S592 PolarHBondContact O-N 3.18Å; A589-Y593 HydrophobicContact CB-CD2 4.38Å; A589-Y593 HydrophobicContact CB-CE2 4.12Å; A589-Y593 WeakPolarHBondContact O-CB 3.39Å; A589-Y593 WeakPolarHBondContact O-CD2 3.26Å; A589-Y593 VanDerWaalsContact O-CG 3.28Å; A589-Y593 PolarHBondContact O-N 3.5Å |
| 590 | L | 89.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.6 | -175.4 | 154.5 | 0 | 0 | 0 | 111.6 | F586 K587 E588 S592 Y593 A594 Y610 A613 L614 Q617 | F586-L590 WeakPolarHBondContact O-CB 3.43Å; F586-L590 PolarHBondContact O-N 3.48Å; K587-L590 PolarHBondContact O-N 3.22Å; E588-L590 VanDerWaalsContact C-N 3.34Å; L590-S592 VanDerWaalsContact C-N 3.31Å; L590-S592 PolarHBondContact O-N 3.11Å; L590-Y593 PolarHBondContact O-N 3.42Å; L590-A594 VanDerWaalsContact O-CB 3.27Å; L590-A594 WeakPolarHBondContact O-CB 3.47Å; L590-A594 PolarHBondContact O-N 2.93Å; L590-Y610 HydrophobicContact CD2-CE2 4.36Å; L590-Y610 HydrophobicContact CG-CE2 4.24Å; L590-A613 HydrophobicContact CB-CB 4.41Å; L590-L614 HydrophobicContact CD1-CD2 3.69Å; L590-L614 HydrophobicContact CD1-CG 4.32Å; L590-L614 HydrophobicContact CG-CD2 4.45Å; L590-Q617 VanDerWaalsContact CD1-CD 3.41Å; L590-Q617 HydrophobicContact CD1-CG 4.17Å |
| 591 | T | 89.2 | Confident | 83.7 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.7 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | K587 E588 A594 E595 | K587-T591 PolarHBondContact O-N 3.4Å; K587-T591 VanDerWaalsContact O-N 3.12Å; E588-T591 WeakPolarHBondContact CA-OG1 3.44Å; E588-T591 PolarHBondContact O-N 3.5Å; E588-T591 PolarHBondContact O-OG1 3.41Å; T591-A594 PolarHBondContact O-N 3.09Å; T591-E595 PolarHBondContact O-N 3.39Å |
| 592 | S | 89 | Confident | 83.2 | Confident | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | Y573 E588 A589 L590 E595 A596 | Y573-S592 WeakPolarHBondContact CB-O 3.48Å; Y573-S592 WeakPolarHBondContact O-CB 3.34Å; E588-S592 WeakPolarHBondContact O-CB 3.29Å; E588-S592 PolarHBondContact O-N 3.15Å; E588-S592 PolarHBondContact O-OG 2.9Å; A589-S592 PolarHBondContact O-N 3.18Å; L590-S592 VanDerWaalsContact C-N 3.31Å; L590-S592 PolarHBondContact O-N 3.11Å; S592-E595 PolarHBondContact O-N 3.07Å; S592-A596 WeakPolarHBondContact O-CB 3.37Å; S592-A596 PolarHBondContact O-N 2.91Å |
| 593 | Y | 91.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.9 | -34.7 | 174.7 | -67.5 | -46 | 0 | 0 | 0 | 113 | L574 G577 H578 A589 L590 A596 Y597 Y609 A613 | L574-Y593 HydrophobicContact CD1-CD1 4.31Å; L574-Y593 HydrophobicContact CD1-CE1 4.43Å; L574-Y593 WeakPolarHBondContact O-CE1 3.48Å; G577-Y593 PolarHBondContact O-OH 3.27Å; H578-Y593 VanDerWaalsContact CA-OH 3.26Å; H578-Y593 WeakPolarHBondContact CA-OH 3.33Å; H578-Y593 PolarHBondContact CE1-OH 3.19Å; H578-Y593 PolarHBondContact N-OH 2.94Å; H578-Y593 VanDerWaalsContact N-OH 3.15Å; H578-Y593 AromaticContact ND1-CZ 3.9Å; H578-Y593 PolarHBondContact ND1-OH 3.25Å; A589-Y593 HydrophobicContact CB-CD2 4.38Å; A589-Y593 HydrophobicContact CB-CE2 4.12Å; A589-Y593 WeakPolarHBondContact O-CB 3.39Å; A589-Y593 WeakPolarHBondContact O-CD2 3.26Å; A589-Y593 VanDerWaalsContact O-CG 3.28Å; A589-Y593 PolarHBondContact O-N 3.5Å; L590-Y593 PolarHBondContact O-N 3.42Å; Y593-A596 PolarHBondContact O-N 3.01Å; Y593-Y597 WeakPolarHBondContact O-CB 3.42Å; Y593-Y597 PolarHBondContact O-N 3.41Å; Y593-Y609 HydrophobicContact CE1-CG 4.34Å; Y593-A613 HydrophobicContact CD2-CB 3.61Å; Y593-A613 HydrophobicContact CE2-CB 4.08Å |
| 594 | A | 88.9 | Confident | 83.2 | Confident | 27 Ų | 27 | 54 Ų | 54 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L590 T591 Y597 R598 Y610 | L590-A594 VanDerWaalsContact O-CB 3.27Å; L590-A594 WeakPolarHBondContact O-CB 3.47Å; L590-A594 PolarHBondContact O-N 2.93Å; T591-A594 PolarHBondContact O-N 3.09Å; A594-Y597 PolarHBondContact O-N 3.22Å; A594-R598 WeakPolarHBondContact O-CB 3.39Å; A594-R598 PolarHBondContact O-N 2.69Å; A594-Y610 HydrophobicContact CB-CD2 4.22Å; A594-Y610 HydrophobicContact CB-CE2 3.6Å |
| 595 | E | 87.9 | Confident | 83.5 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 174.8 | -74.2 | -65.8 | 171.5 | 0 | 0 | 112.1 | Y573 T591 S592 Y597 R598 L599 | Y573-E595 HydrophobicContact CD1-CB 3.62Å; Y573-E595 HydrophobicContact CD1-CG 4.32Å; Y573-E595 HydrophobicContact CE1-CB 3.83Å; Y573-E595 HydrophobicContact CE1-CG 4.14Å; Y573-E595 HydrophobicContact CG-CB 3.98Å; T591-E595 PolarHBondContact O-N 3.39Å; S592-E595 PolarHBondContact O-N 3.07Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 PolarHBondContact O-N 3Å; E595-R598 PolarHBondContact O-N 3.34Å; E595-R598 IonicContact OE1-CZ 3.11Å; E595-R598 IonicContact OE1-NE 2.81Å; E595-R598 IonicContact OE1-NH2 3.85Å; E595-R598 IonicContact OE2-CZ 2.76Å; E595-R598 IonicContact OE2-NE 3.77Å; E595-R598 PolarHBondContact OE2-NE 2.95Å; E595-R598 IonicContact OE2-NH2 2.79Å; E595-R598 PolarHBondContact OE2-NH2 3.24Å; E595-L599 VanDerWaalsContact O-CG 3.3Å; E595-L599 WeakPolarHBondContact O-CG 3.14Å; E595-L599 PolarHBondContact O-N 3.01Å |
| 596 | A | 85.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L574 S592 Y593 M600 | L574-A596 HydrophobicContact CB-CB 4.33Å; L574-A596 HydrophobicContact CD1-CB 4.47Å; S592-A596 WeakPolarHBondContact O-CB 3.37Å; S592-A596 PolarHBondContact O-N 2.91Å; Y593-A596 PolarHBondContact O-N 3.01Å; A596-M600 PolarHBondContact O-N 3.27Å; A596-M600 VanDerWaalsContact O-N 3.16Å |
| 597 | Y | 85.5 | Confident | 83.8 | Confident | 25 Ų | 25 | 45 Ų | 45 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -38.7 | 176.9 | -177.1 | -106.9 | 0 | 0 | 0 | 112.5 | Y593 A594 E595 L599 M600 P601 C606 A607 Y610 V626 Y629 | Y593-Y597 WeakPolarHBondContact O-CB 3.42Å; Y593-Y597 PolarHBondContact O-N 3.41Å; A594-Y597 PolarHBondContact O-N 3.22Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 PolarHBondContact O-N 3Å; Y597-L599 VanDerWaalsContact C-N 3.29Å; Y597-L599 PolarHBondContact O-N 2.88Å; Y597-M600 CarbonylContact O-C 3.46Å; Y597-M600 PolarHBondContact O-N 3.42Å; Y597-M600 VanDerWaalsContact O-N 3.15Å; Y597-P601 WeakPolarHBondContact CE2-O 3.5Å; Y597-P601 WeakPolarHBondContact O-CA 3.36Å; Y597-P601 PolarHBondContact OH-O 3.12Å; Y597-C606 HydrophobicContact CD2-CB 4.38Å; Y597-A607 HydrophobicContact CD2-CB 4.12Å; Y597-A607 HydrophobicContact CE2-CB 3.85Å; Y597-Y610 AromaticContact CD1-CD1 3.94Å; Y597-Y610 HydrophobicContact CD1-CD1 3.94Å; Y597-Y610 HydrophobicContact CD1-CE1 4.11Å; Y597-Y610 AromaticContact CG-CD1 4Å; Y597-Y610 HydrophobicContact CG-CD1 4Å; Y597-V626 HydrophobicContact CD2-CG1 4.47Å; Y597-V626 HydrophobicContact CE2-CG1 4.04Å; Y597-V626 PolarHBondContact OH-O 3.15Å; Y597-Y629 WeakPolarHBondContact OH-CD2 3.3Å |
| 598 | R | 81.7 | Confident | 84.1 | Confident | 153 Ų | 153 | 39.3 Ų | 39.3 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.1 | -41.5 | 174.6 | -176 | 177.3 | 73.1 | 135.8 | -1.5 | 111.8 | A594 E595 M600 | A594-R598 WeakPolarHBondContact O-CB 3.39Å; A594-R598 PolarHBondContact O-N 2.69Å; E595-R598 PolarHBondContact O-N 3.34Å; E595-R598 IonicContact OE1-CZ 3.11Å; E595-R598 IonicContact OE1-NE 2.81Å; E595-R598 IonicContact OE1-NH2 3.85Å; E595-R598 IonicContact OE2-CZ 2.76Å; E595-R598 IonicContact OE2-NE 3.77Å; E595-R598 PolarHBondContact OE2-NE 2.95Å; E595-R598 IonicContact OE2-NH2 2.79Å; E595-R598 PolarHBondContact OE2-NH2 3.24Å; R598-M600 VanDerWaalsContact C-N 3.33Å |
| 599 | L | 79.7 | Confident | 84.2 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.9 | -28.3 | 178.5 | -67.2 | 171.2 | 0 | 0 | 0 | 112.4 | K567 Y573 E595 Y597 | K567-L599 WeakPolarHBondContact O-CD1 3.33Å; Y573-L599 HydrophobicContact CD2-CD1 3.6Å; Y573-L599 HydrophobicContact CE2-CD1 3.61Å; E595-L599 VanDerWaalsContact O-CG 3.3Å; E595-L599 WeakPolarHBondContact O-CG 3.14Å; E595-L599 PolarHBondContact O-N 3.01Å; Y597-L599 VanDerWaalsContact C-N 3.29Å; Y597-L599 PolarHBondContact O-N 2.88Å |
| 600 | M | 74.6 | Confident | 84.4 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | trans | -139.2 | 74.8 | 179.1 | -158.1 | 176.3 | -167.8 | 0 | 0 | 112.4 | F311 I403 Y570 A596 Y597 R598 G602 S603 | F311-M600 HydrophobicContact CD2-CE 3.7Å; F311-M600 HydrophobicContact CD2-SD 4.32Å; F311-M600 HydrophobicContact CE2-CE 4.32Å; F311-M600 HydrophobicContact CE2-SD 4.36Å; I403-M600 HydrophobicContact CD1-CE 3.81Å; Y570-M600 HydrophobicContact CD1-SD 4.26Å; Y570-M600 HydrophobicContact CD2-CB 4.49Å; Y570-M600 HydrophobicContact CD2-SD 4.47Å; Y570-M600 HydrophobicContact CE1-SD 3.99Å; Y570-M600 HydrophobicContact CE2-SD 4.19Å; Y570-M600 HydrophobicContact CG-CB 4.34Å; Y570-M600 HydrophobicContact CG-SD 4.49Å; A596-M600 PolarHBondContact O-N 3.27Å; A596-M600 VanDerWaalsContact O-N 3.16Å; Y597-M600 CarbonylContact O-C 3.46Å; Y597-M600 PolarHBondContact O-N 3.42Å; Y597-M600 VanDerWaalsContact O-N 3.15Å; R598-M600 VanDerWaalsContact C-N 3.33Å; M600-G602 PolarHBondContact O-N 3.27Å; M600-G602 VanDerWaalsContact O-N 3.13Å; M600-S603 WeakPolarHBondContact O-CB 3.32Å; M600-S603 PolarHBondContact O-N 3.4Å | ||
| 601 | P | 72.3 | Confident | 84.4 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.3 | -171.6 | 23.7 | -33.9 | 0 | 0 | 0 | 113.8 | Y597 | Y597-P601 WeakPolarHBondContact CE2-O 3.5Å; Y597-P601 WeakPolarHBondContact O-CA 3.36Å; Y597-P601 PolarHBondContact OH-O 3.12Å |
| 602 | G | 72.7 | Confident | 84.4 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 50% | 0.495 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | M600 P604 | M600-G602 PolarHBondContact O-N 3.27Å; M600-G602 VanDerWaalsContact O-N 3.13Å; G602-P604 VanDerWaalsContact O-CD 3.26Å; G602-P604 WeakPolarHBondContact O-CD 3.15Å |
| 603 | S | 78.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -78.5 | 117.2 | -177.2 | -178 | 0 | 0 | 0 | 0 | 111.5 | M600 V605 C606 A607 | M600-S603 WeakPolarHBondContact O-CB 3.32Å; M600-S603 PolarHBondContact O-N 3.4Å; S603-V605 PolarHBondContact O-N 3.18Å; S603-C606 PolarHBondContact O-N 3.13Å; S603-C606 PolarHBondContact OG-N 2.82Å; S603-C606 PolarHBondContact OG-SG 3.43Å; S603-A607 WeakPolarHBondContact O-CB 3.35Å; S603-A607 PolarHBondContact O-N 2.81Å; S603-A607 VanDerWaalsContact O-N 3.1Å | ||
| 604 | P | 80.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 20% | 0.195 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -34.3 | 177.1 | -22.9 | 34.5 | 0 | 0 | 0 | 112.3 | G602 Y608 D634 M639 | G602-P604 VanDerWaalsContact O-CD 3.26Å; G602-P604 WeakPolarHBondContact O-CD 3.15Å; P604-Y608 WeakPolarHBondContact O-CB 3.32Å; P604-Y608 PolarHBondContact O-N 3.48Å; P604-D634 HydrophobicContact CG-CB 3.76Å; P604-M639 HydrophobicContact CB-CE 3.83Å; P604-M639 HydrophobicContact CB-SD 3.67Å |
| 605 | V | 82.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 35.2 Ų | 35.2 | 42% | 0.424 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.6 | -47.4 | -179.4 | -178 | 0 | 0 | 0 | 0 | 111.2 | L574 S603 Y608 Y609 | L574-V605 HydrophobicContact CD2-CG1 4.25Å; S603-V605 PolarHBondContact O-N 3.18Å; V605-Y608 PolarHBondContact O-N 2.88Å; V605-Y609 HydrophobicContact CG1-CD2 3.91Å; V605-Y609 HydrophobicContact CG1-CE2 3.66Å; V605-Y609 WeakPolarHBondContact O-CD2 3.48Å; V605-Y609 PolarHBondContact O-N 2.97Å |
| 606 | C | 84.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | Y570 L574 Y597 S603 Y608 Y609 Y610 | Y570-C606 VanDerWaalsContact CD2-SG 3.53Å; L574-C606 HydrophobicContact CD1-CB 4.45Å; Y597-C606 HydrophobicContact CD2-CB 4.38Å; S603-C606 PolarHBondContact O-N 3.13Å; S603-C606 PolarHBondContact OG-N 2.82Å; S603-C606 PolarHBondContact OG-SG 3.43Å; C606-Y608 PolarHBondContact O-N 2.8Å; C606-Y609 PolarHBondContact O-N 2.97Å; C606-Y610 VanDerWaalsContact O-CB 3.27Å; C606-Y610 WeakPolarHBondContact O-CB 3.49Å; C606-Y610 PolarHBondContact O-N 3.42Å |
| 607 | A | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y597 S603 Y609 Y610 S611 V626 I630 | Y597-A607 HydrophobicContact CD2-CB 4.12Å; Y597-A607 HydrophobicContact CE2-CB 3.85Å; S603-A607 WeakPolarHBondContact O-CB 3.35Å; S603-A607 PolarHBondContact O-N 2.81Å; S603-A607 VanDerWaalsContact O-N 3.1Å; A607-Y609 PolarHBondContact O-N 3.03Å; A607-Y610 PolarHBondContact O-N 2.71Å; A607-S611 VanDerWaalsContact O-CB 3.32Å; A607-S611 WeakPolarHBondContact O-CB 3.49Å; A607-S611 PolarHBondContact O-N 3.34Å; A607-S611 PolarHBondContact O-OG 3.27Å; A607-V626 HydrophobicContact CB-CG1 3.64Å; A607-I630 HydrophobicContact CB-CD1 2.98Å; A607-I630 HydrophobicContact CB-CG1 4.38Å |
| 608 | Y | 89.4 | Confident | 83.7 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 176.5 | 173.4 | -100.4 | 0 | 0 | 0 | 112.1 | P604 V605 C606 S611 V612 D638 M639 N642 | P604-Y608 WeakPolarHBondContact O-CB 3.32Å; P604-Y608 PolarHBondContact O-N 3.48Å; V605-Y608 PolarHBondContact O-N 2.88Å; C606-Y608 PolarHBondContact O-N 2.8Å; Y608-S611 PolarHBondContact O-OG 2.87Å; Y608-V612 HydrophobicContact CE1-CG2 4.16Å; Y608-V612 HydrophobicContact CE2-CG2 4.27Å; Y608-V612 WeakPolarHBondContact O-CG2 3.4Å; Y608-V612 PolarHBondContact O-N 3.26Å; Y608-D638 HydrophobicContact CE2-CB 3.74Å; Y608-D638 WeakPolarHBondContact CE2-O 3.31Å; Y608-M639 HydrophobicContact CD2-CB 4.38Å; Y608-M639 HydrophobicContact CD2-CG 3.63Å; Y608-M639 HydrophobicContact CG-CG 4.07Å; Y608-N642 WeakPolarHBondContact CD2-ND2 3.33Å; Y608-N642 HydrophobicContact CE2-CB 4.32Å; Y608-N642 WeakPolarHBondContact CE2-ND2 3.47Å |
| 609 | Y | 89.3 | Confident | 83.9 | Confident | 60 Ų | 60 | 43 Ų | 43 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.8 | -34.1 | -178.4 | -69.2 | -61.3 | 0 | 0 | 0 | 112.8 | L574 H578 Y593 V605 C606 A607 V612 A613 | L574-Y609 HydrophobicContact CD1-CD2 4.13Å; H578-Y609 AromaticContact CE1-CD1 3.59Å; H578-Y609 AromaticContact CE1-CD2 3.52Å; H578-Y609 AromaticContact CE1-CE1 3.52Å; H578-Y609 AromaticContact CE1-CE2 3.44Å; H578-Y609 VanDerWaalsContact CE1-CE2 3.44Å; H578-Y609 WeakPolarHBondContact CE1-CE2 3.28Å; H578-Y609 AromaticContact CE1-CG 3.59Å; H578-Y609 AromaticContact CE1-CZ 3.43Å; H578-Y609 VanDerWaalsContact CE1-CZ 3.43Å; H578-Y609 AromaticContact NE2-CD2 3.9Å; H578-Y609 AromaticContact NE2-CE2 3.7Å; Y593-Y609 HydrophobicContact CE1-CG 4.34Å; V605-Y609 HydrophobicContact CG1-CD2 3.91Å; V605-Y609 HydrophobicContact CG1-CE2 3.66Å; V605-Y609 WeakPolarHBondContact O-CD2 3.48Å; V605-Y609 PolarHBondContact O-N 2.97Å; C606-Y609 PolarHBondContact O-N 2.97Å; A607-Y609 PolarHBondContact O-N 3.03Å; Y609-V612 PolarHBondContact O-N 2.98Å; Y609-A613 PolarHBondContact O-N 2.97Å |
| 610 | Y | 91.2 | Very high | 84.2 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 172.6 | -175.7 | -137.7 | 0 | 0 | 0 | 111.4 | L590 A594 Y597 C606 A607 V612 A613 L614 V626 | L590-Y610 HydrophobicContact CD2-CE2 4.36Å; L590-Y610 HydrophobicContact CG-CE2 4.24Å; A594-Y610 HydrophobicContact CB-CD2 4.22Å; A594-Y610 HydrophobicContact CB-CE2 3.6Å; Y597-Y610 AromaticContact CD1-CD1 3.94Å; Y597-Y610 HydrophobicContact CD1-CD1 3.94Å; Y597-Y610 HydrophobicContact CD1-CE1 4.11Å; Y597-Y610 AromaticContact CG-CD1 4Å; Y597-Y610 HydrophobicContact CG-CD1 4Å; C606-Y610 VanDerWaalsContact O-CB 3.27Å; C606-Y610 WeakPolarHBondContact O-CB 3.49Å; C606-Y610 PolarHBondContact O-N 3.42Å; A607-Y610 PolarHBondContact O-N 2.71Å; Y610-V612 PolarHBondContact O-N 3.4Å; Y610-A613 PolarHBondContact O-N 3.46Å; Y610-L614 HydrophobicContact CD1-CD1 4.1Å; Y610-L614 HydrophobicContact CD2-CD1 4.17Å; Y610-L614 HydrophobicContact CD2-CG 4.34Å; Y610-L614 HydrophobicContact CE1-CD1 3.84Å; Y610-L614 HydrophobicContact CE2-CD1 3.91Å; Y610-L614 HydrophobicContact CE2-CD2 4.32Å; Y610-L614 HydrophobicContact CE2-CG 4.06Å; Y610-L614 HydrophobicContact CG-CD1 4.24Å; Y610-L614 WeakPolarHBondContact O-CG 3.47Å; Y610-L614 PolarHBondContact O-N 3.02Å; Y610-V626 HydrophobicContact CD1-CB 4.28Å; Y610-V626 HydrophobicContact CD1-CG1 3.91Å; Y610-V626 HydrophobicContact CD1-CG2 3.3Å; Y610-V626 HydrophobicContact CE1-CG2 3.33Å; Y610-V626 HydrophobicContact CG-CG2 4.41Å |
| 611 | S | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 176 | 75.5 | 0 | 0 | 0 | 0 | 112.2 | A607 Y608 A613 L614 C615 Y627 | A607-S611 VanDerWaalsContact O-CB 3.32Å; A607-S611 WeakPolarHBondContact O-CB 3.49Å; A607-S611 PolarHBondContact O-N 3.34Å; A607-S611 PolarHBondContact O-OG 3.27Å; Y608-S611 PolarHBondContact O-OG 2.87Å; S611-A613 VanDerWaalsContact C-N 3.32Å; S611-A613 PolarHBondContact O-N 3.48Å; S611-L614 WeakPolarHBondContact O-CB 3.43Å; S611-L614 PolarHBondContact O-N 2.73Å; S611-C615 PolarHBondContact O-N 2.7Å; S611-C615 PolarHBondContact O-SG 3.35Å; S611-Y627 PolarHBondContact OG-OH 2.83Å |
| 612 | V | 89.7 | Confident | 85.5 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | Y608 Y609 Y610 C615 K616 N642 | Y608-V612 HydrophobicContact CE1-CG2 4.16Å; Y608-V612 HydrophobicContact CE2-CG2 4.27Å; Y608-V612 WeakPolarHBondContact O-CG2 3.4Å; Y608-V612 PolarHBondContact O-N 3.26Å; Y609-V612 PolarHBondContact O-N 2.98Å; Y610-V612 PolarHBondContact O-N 3.4Å; V612-C615 PolarHBondContact O-N 2.81Å; V612-K616 PolarHBondContact O-N 3.43Å; V612-N642 WeakPolarHBondContact CG2-ND2 3.19Å |
| 613 | A | 87.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L590 Y593 Y609 Y610 S611 K616 Q617 | L590-A613 HydrophobicContact CB-CB 4.41Å; Y593-A613 HydrophobicContact CD2-CB 3.61Å; Y593-A613 HydrophobicContact CE2-CB 4.08Å; Y609-A613 PolarHBondContact O-N 2.97Å; Y610-A613 PolarHBondContact O-N 3.46Å; S611-A613 VanDerWaalsContact C-N 3.32Å; S611-A613 PolarHBondContact O-N 3.48Å; A613-K616 PolarHBondContact O-N 3.08Å; A613-Q617 PolarHBondContact O-N 2.91Å |
| 614 | L | 89.2 | Confident | 86.6 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.1 | -71.3 | 164.6 | 0 | 0 | 0 | 111.8 | L590 Y610 S611 K616 Q617 E618 Q619 N622 A623 V626 | L590-L614 HydrophobicContact CD1-CD2 3.69Å; L590-L614 HydrophobicContact CD1-CG 4.32Å; L590-L614 HydrophobicContact CG-CD2 4.45Å; Y610-L614 HydrophobicContact CD1-CD1 4.1Å; Y610-L614 HydrophobicContact CD2-CD1 4.17Å; Y610-L614 HydrophobicContact CD2-CG 4.34Å; Y610-L614 HydrophobicContact CE1-CD1 3.84Å; Y610-L614 HydrophobicContact CE2-CD1 3.91Å; Y610-L614 HydrophobicContact CE2-CD2 4.32Å; Y610-L614 HydrophobicContact CE2-CG 4.06Å; Y610-L614 HydrophobicContact CG-CD1 4.24Å; Y610-L614 WeakPolarHBondContact O-CG 3.47Å; Y610-L614 PolarHBondContact O-N 3.02Å; S611-L614 WeakPolarHBondContact O-CB 3.43Å; S611-L614 PolarHBondContact O-N 2.73Å; L614-K616 VanDerWaalsContact C-N 3.32Å; L614-K616 PolarHBondContact O-N 3.41Å; L614-Q617 CarbonylContact O-C 3.55Å; L614-Q617 WeakPolarHBondContact O-CA 3.31Å; L614-Q617 PolarHBondContact O-N 3.42Å; L614-E618 PolarHBondContact O-N 2.8Å; L614-Q619 HydrophobicContact CB-CB 4.39Å; L614-Q619 HydrophobicContact CD2-CB 4.07Å; L614-Q619 PolarHBondContact O-N 2.86Å; L614-N622 HydrophobicContact CD1-CB 4.2Å; L614-N622 HydrophobicContact CD2-CB 3.97Å; L614-A623 HydrophobicContact CB-CB 3.69Å; L614-A623 HydrophobicContact CD1-CB 4.34Å; L614-V626 HydrophobicContact CD1-CG2 3.85Å |
| 615 | C | 87.1 | Confident | 86.9 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 175.1 | -68.4 | 0 | 0 | 0 | 0 | 113 | S611 V612 Q617 E618 W620 I646 | S611-C615 PolarHBondContact O-N 2.7Å; S611-C615 PolarHBondContact O-SG 3.35Å; V612-C615 PolarHBondContact O-N 2.81Å; C615-Q617 VanDerWaalsContact C-N 3.26Å; C615-Q617 PolarHBondContact O-N 3.33Å; C615-E618 PolarHBondContact O-N 3.48Å; C615-W620 HydrophobicContact CB-CE3 4.23Å; C615-W620 HydrophobicContact CB-CZ3 3.79Å; C615-I646 VanDerWaalsContact SG-CD1 3.53Å; C615-I646 WeakPolarHBondContact SG-CG1 3.38Å |
| 616 | K | 82.8 | Confident | 87.1 | Confident | 118 Ų | 118 | 47.5 Ų | 47.5 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.2 | -25.4 | 175.9 | -81 | -158.6 | 172.8 | -165.4 | 0 | 113.2 | F586 V612 A613 L614 E618 | F586-K616 HydrophobicContact CD1-CB 4.46Å; F586-K616 HydrophobicContact CD1-CD 3.66Å; F586-K616 HydrophobicContact CE1-CD 3.33Å; F586-K616 VanDerWaalsContact CE1-NZ 3.31Å; F586-K616 HydrophobicContact CZ-CD 3.92Å; V612-K616 PolarHBondContact O-N 3.43Å; A613-K616 PolarHBondContact O-N 3.08Å; L614-K616 VanDerWaalsContact C-N 3.32Å; L614-K616 PolarHBondContact O-N 3.41Å; K616-E618 VanDerWaalsContact C-N 3.26Å |
| 617 | Q | 84.2 | Confident | 87.2 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 11.1 | 170.7 | -65.1 | -161.4 | 17.2 | 0 | 0 | 113 | F586 L590 A613 L614 C615 Q619 | F586-Q617 PolarHBondContact O-NE2 3.18Å; L590-Q617 VanDerWaalsContact CD1-CD 3.41Å; L590-Q617 HydrophobicContact CD1-CG 4.17Å; A613-Q617 PolarHBondContact O-N 2.91Å; L614-Q617 CarbonylContact O-C 3.55Å; L614-Q617 WeakPolarHBondContact O-CA 3.31Å; L614-Q617 PolarHBondContact O-N 3.42Å; C615-Q617 VanDerWaalsContact C-N 3.26Å; C615-Q617 PolarHBondContact O-N 3.33Å; Q617-Q619 HydrophobicContact CB-CG 4.25Å; Q617-Q619 PolarHBondContact O-N 3.34Å; Q617-Q619 VanDerWaalsContact O-N 3.1Å |
| 618 | E | 82.2 | Confident | 87 | Confident | 150 Ų | 150 | 51.5 Ų | 51.5 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 19.3 | -177.9 | -54.8 | -178.8 | 163.4 | 0 | 0 | 113.5 | L614 C615 K616 W620 | L614-E618 PolarHBondContact O-N 2.8Å; C615-E618 PolarHBondContact O-N 3.48Å; K616-E618 VanDerWaalsContact C-N 3.26Å; E618-W620 VanDerWaalsContact C-N 3.33Å; E618-W620 HydrophobicContact CB-CZ2 4.34Å; E618-W620 HydrophobicContact CG-CZ2 4.23Å; E618-W620 PolarHBondContact O-N 3.05Å; E618-W620 VanDerWaalsContact O-N 3.16Å; E618-W620 PolarHBondContact O-NE1 3.32Å |
| 619 | Q | 86.5 | Confident | 86.4 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | trans | -88.3 | 69.5 | 174.8 | -63.9 | -172.1 | 6.5 | 0 | 0 | 110.6 | L614 Q617 N622 A623 | L614-Q619 HydrophobicContact CB-CB 4.39Å; L614-Q619 HydrophobicContact CD2-CB 4.07Å; L614-Q619 PolarHBondContact O-N 2.86Å; Q617-Q619 HydrophobicContact CB-CG 4.25Å; Q617-Q619 PolarHBondContact O-N 3.34Å; Q617-Q619 VanDerWaalsContact O-N 3.1Å; Q619-N622 HydrophobicContact CB-CB 4.33Å; Q619-N622 PolarHBondContact OE1-ND2 3.38Å; Q619-N622 VanDerWaalsContact OE1-ND2 3.07Å; Q619-A623 WeakPolarHBondContact O-CB 3.48Å; Q619-A623 PolarHBondContact O-N 3.43Å; Q619-A623 VanDerWaalsContact O-N 3.16Å | ||
| 620 | W | 85.5 | Confident | 85.9 | Confident | 79 Ų | 79 | 54.9 Ų | 54.9 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67 | -38 | -171.5 | -50.5 | 103.6 | 0 | 0 | 0 | 114 | C615 E618 A623 L624 I646 R649 L650 | C615-W620 HydrophobicContact CB-CE3 4.23Å; C615-W620 HydrophobicContact CB-CZ3 3.79Å; E618-W620 VanDerWaalsContact C-N 3.33Å; E618-W620 HydrophobicContact CB-CZ2 4.34Å; E618-W620 HydrophobicContact CG-CZ2 4.23Å; E618-W620 PolarHBondContact O-N 3.05Å; E618-W620 VanDerWaalsContact O-N 3.16Å; E618-W620 PolarHBondContact O-NE1 3.32Å; W620-A623 WeakPolarHBondContact O-CB 3.42Å; W620-A623 PolarHBondContact O-N 2.79Å; W620-L624 PolarHBondContact O-N 2.64Å; W620-I646 WeakPolarHBondContact O-CG2 3.27Å; W620-R649 HydrophobicContact CD2-CB 4.27Å; W620-R649 HydrophobicContact CE3-CB 4.19Å; W620-R649 HydrophobicContact CE3-CG 4.36Å; W620-R649 HydrophobicContact CH2-CG 4.24Å; W620-R649 HydrophobicContact CZ3-CB 4.44Å; W620-R649 HydrophobicContact CZ3-CG 4.11Å; W620-L650 HydrophobicContact CB-CD1 4.24Å; W620-L650 HydrophobicContact CB-CD2 3.51Å; W620-L650 HydrophobicContact CB-CG 3.78Å; W620-L650 HydrophobicContact CG-CD2 4.4Å |
| 621 | E | 87.5 | Confident | 85.3 | Confident | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.8 | -48.3 | -178.9 | -61.6 | -162.7 | 134.2 | 0 | 0 | 112 | A623 L624 D625 L650 R652 | E621-A623 PolarHBondContact O-N 2.76Å; E621-L624 WeakPolarHBondContact O-CA 3.49Å; E621-L624 WeakPolarHBondContact O-CB 3.45Å; E621-L624 PolarHBondContact O-N 2.96Å; E621-D625 PolarHBondContact O-N 3.03Å; E621-L650 HydrophobicContact CG-CD2 3.94Å; E621-R652 IonicContact OE1-NH2 3.26Å; E621-R652 PolarHBondContact OE1-NH2 2.85Å |
| 622 | N | 86.8 | Confident | 84.7 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.6 | -38.5 | 173.5 | -66.1 | -10.4 | 0 | 0 | 0 | 111.3 | L614 Q619 L624 D625 V626 | L614-N622 HydrophobicContact CD1-CB 4.2Å; L614-N622 HydrophobicContact CD2-CB 3.97Å; Q619-N622 HydrophobicContact CB-CB 4.33Å; Q619-N622 PolarHBondContact OE1-ND2 3.38Å; Q619-N622 VanDerWaalsContact OE1-ND2 3.07Å; N622-L624 PolarHBondContact O-N 2.84Å; N622-D625 PolarHBondContact O-N 3.02Å; N622-V626 WeakPolarHBondContact O-CG2 3.29Å; N622-V626 PolarHBondContact O-N 3.21Å |
| 623 | A | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -30.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L614 Q619 W620 E621 Y627 I646 | L614-A623 HydrophobicContact CB-CB 3.69Å; L614-A623 HydrophobicContact CD1-CB 4.34Å; Q619-A623 WeakPolarHBondContact O-CB 3.48Å; Q619-A623 PolarHBondContact O-N 3.43Å; Q619-A623 VanDerWaalsContact O-N 3.16Å; W620-A623 WeakPolarHBondContact O-CB 3.42Å; W620-A623 PolarHBondContact O-N 2.79Å; E621-A623 PolarHBondContact O-N 2.76Å; A623-Y627 WeakPolarHBondContact O-CD2 3.29Å; A623-I646 HydrophobicContact CB-CD1 3.9Å; A623-I646 HydrophobicContact CB-CG1 4.5Å |
| 624 | L | 88 | Confident | 83.3 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -78.4 | -40.2 | 177.9 | -171.3 | 142.3 | 0 | 0 | 0 | 111.8 | W620 E621 N622 V626 Y627 Y643 I646 N647 L650 | W620-L624 PolarHBondContact O-N 2.64Å; E621-L624 WeakPolarHBondContact O-CA 3.49Å; E621-L624 WeakPolarHBondContact O-CB 3.45Å; E621-L624 PolarHBondContact O-N 2.96Å; N622-L624 PolarHBondContact O-N 2.84Å; L624-V626 PolarHBondContact O-N 2.91Å; L624-Y627 WeakPolarHBondContact O-CB 3.37Å; L624-Y627 PolarHBondContact O-N 2.85Å; L624-Y643 HydrophobicContact CG-CE2 4.46Å; L624-I646 HydrophobicContact CB-CG2 4.16Å; L624-I646 HydrophobicContact CD1-CG2 4.33Å; L624-N647 WeakPolarHBondContact CD1-OD1 3.47Å; L624-L650 HydrophobicContact CD1-CD1 3.96Å |
| 625 | D | 86.9 | Confident | 83 | Confident | 90 Ų | 90 | 71 Ų | 71 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -33.9 | 178.1 | -73.9 | -14.3 | 0 | 0 | 0 | 112.6 | E621 N622 Y627 S628 | E621-D625 PolarHBondContact O-N 3.03Å; N622-D625 PolarHBondContact O-N 3.02Å; D625-Y627 PolarHBondContact O-N 3.24Å; D625-S628 VanDerWaalsContact O-CB 3.3Å; D625-S628 WeakPolarHBondContact O-CB 3.21Å; D625-S628 PolarHBondContact O-N 2.84Å; D625-S628 PolarHBondContact O-OG 2.75Å |
| 626 | V | 86.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -57.7 | -33.4 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | Y597 A607 Y610 L614 N622 L624 S628 | Y597-V626 HydrophobicContact CD2-CG1 4.47Å; Y597-V626 HydrophobicContact CE2-CG1 4.04Å; Y597-V626 PolarHBondContact OH-O 3.15Å; A607-V626 HydrophobicContact CB-CG1 3.64Å; Y610-V626 HydrophobicContact CD1-CB 4.28Å; Y610-V626 HydrophobicContact CD1-CG1 3.91Å; Y610-V626 HydrophobicContact CD1-CG2 3.3Å; Y610-V626 HydrophobicContact CE1-CG2 3.33Å; Y610-V626 HydrophobicContact CG-CG2 4.41Å; L614-V626 HydrophobicContact CD1-CG2 3.85Å; N622-V626 WeakPolarHBondContact O-CG2 3.29Å; N622-V626 PolarHBondContact O-N 3.21Å; L624-V626 PolarHBondContact O-N 2.91Å; V626-S628 VanDerWaalsContact C-N 3.32Å |
| 627 | Y | 86.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -78.3 | -13.3 | 178.8 | -74 | -64.4 | 0 | 0 | 0 | 113.6 | S611 A623 L624 D625 Y629 I630 F635 M639 Y643 I646 | S611-Y627 PolarHBondContact OG-OH 2.83Å; A623-Y627 WeakPolarHBondContact O-CD2 3.29Å; L624-Y627 WeakPolarHBondContact O-CB 3.37Å; L624-Y627 PolarHBondContact O-N 2.85Å; D625-Y627 PolarHBondContact O-N 3.24Å; Y627-Y629 VanDerWaalsContact C-N 3.3Å; Y627-Y629 PolarHBondContact O-N 3.22Å; Y627-I630 PolarHBondContact O-N 2.76Å; Y627-F635 HydrophobicContact CD1-CE1 4.13Å; Y627-F635 HydrophobicContact CD1-CE2 4Å; Y627-F635 AromaticContact CD1-CZ 3.57Å; Y627-F635 HydrophobicContact CD1-CZ 3.57Å; Y627-F635 HydrophobicContact CE1-CZ 4.42Å; Y627-F635 HydrophobicContact CG-CE2 4.5Å; Y627-F635 HydrophobicContact CG-CZ 4.1Å; Y627-M639 HydrophobicContact CD1-CE 4.15Å; Y627-M639 HydrophobicContact CE1-CB 4.17Å; Y627-M639 HydrophobicContact CE1-CE 3.75Å; Y627-M639 HydrophobicContact CE1-CG 4.27Å; Y627-Y643 AromaticContact CD2-CD2 3.83Å; Y627-Y643 HydrophobicContact CD2-CD2 3.83Å; Y627-Y643 AromaticContact CG-CD2 3.97Å; Y627-Y643 HydrophobicContact CG-CD2 3.97Å; Y627-I646 HydrophobicContact CE2-CD1 3.88Å |
| 628 | S | 83.4 | Confident | 82.6 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -69.2 | -25.7 | -178.1 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | D625 V626 | D625-S628 VanDerWaalsContact O-CB 3.3Å; D625-S628 WeakPolarHBondContact O-CB 3.21Å; D625-S628 PolarHBondContact O-N 2.84Å; D625-S628 PolarHBondContact O-OG 2.75Å; V626-S628 VanDerWaalsContact C-N 3.32Å |
| 629 | Y | 77.1 | Confident | 82.8 | Confident | 171 Ų | 171 | 63.7 Ų | 63.7 | 67% | 0.671 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -89.2 | -1.8 | -178.3 | -62.9 | -79.2 | 0 | 0 | 0 | 114.1 | Y597 Y627 | Y597-Y629 WeakPolarHBondContact OH-CD2 3.3Å; Y627-Y629 VanDerWaalsContact C-N 3.3Å; Y627-Y629 PolarHBondContact O-N 3.22Å |
| 630 | I | 78.9 | Confident | 83 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -112.9 | 133.4 | -175.9 | -63.7 | 164.1 | 0 | 0 | 0 | 109.7 | A607 Y627 H632 D634 F635 M639 | A607-I630 HydrophobicContact CB-CD1 2.98Å; A607-I630 HydrophobicContact CB-CG1 4.38Å; Y627-I630 PolarHBondContact O-N 2.76Å; I630-H632 PolarHBondContact O-N 2.66Å; I630-D634 HydrophobicContact CG2-CB 4.37Å; I630-F635 HydrophobicContact CB-CE1 3.97Å; I630-F635 HydrophobicContact CG2-CD1 3.97Å; I630-F635 HydrophobicContact CG2-CE1 3.72Å; I630-M639 HydrophobicContact CD1-CE 4.22Å; I630-M639 HydrophobicContact CG2-CE 4.39Å |
| 631 | D | 77.5 | Confident | 83.2 | Confident | 90 Ų | 90 | 59 Ų | 59 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | trans | -63.1 | 128.4 | 172.2 | -170.7 | -4.8 | 0 | 0 | 0 | 109.8 | N633 D634 | D631-N633 PolarHBondContact O-N 3.32Å; D631-N633 PolarHBondContact OD1-N 3.27Å; D631-N633 VanDerWaalsContact OD1-N 3.17Å; D631-N633 PolarHBondContact OD1-ND2 3.42Å; D631-N633 PolarHBondContact OD2-ND2 2.95Å; D631-D634 PolarHBondContact O-N 2.99Å | ||
| 632 | H | 78.3 | Confident | 83.4 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 38% | 0.375 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -57.7 | -17.2 | 176.2 | -68.7 | -38 | 0 | 0 | 0 | 113.6 | I630 D634 F635 W640 | I630-H632 PolarHBondContact O-N 2.66Å; H632-D634 VanDerWaalsContact C-N 3.28Å; H632-F635 AromaticContact CE1-CZ 3.67Å; H632-F635 AromaticContact ND1-CE1 3.53Å; H632-F635 AromaticContact ND1-CE2 3.44Å; H632-F635 WeakPolarHBondContact ND1-CE2 3.26Å; H632-F635 AromaticContact ND1-CZ 3.13Å; H632-F635 WeakPolarHBondContact ND1-CZ 3.37Å; H632-F635 PolarHBondContact O-N 3.34Å; H632-W640 HydrophobicContact CB-CH2 3.94Å; H632-W640 HydrophobicContact CB-CZ2 3.88Å; H632-W640 AromaticContact CG-CH2 3.94Å; H632-W640 AromaticContact ND1-CH2 3.98Å; H632-W640 WeakPolarHBondContact O-CZ2 3.38Å |
| 633 | N | 74.1 | Confident | 83.6 | Confident | 129 Ų | 129 | 52.6 Ų | 52.6 | 69% | 0.69 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -65.8 | -29.7 | 171.6 | -66.7 | -36.8 | 0 | 0 | 0 | 113.3 | D631 F635 | D631-N633 PolarHBondContact O-N 3.32Å; D631-N633 PolarHBondContact OD1-N 3.27Å; D631-N633 VanDerWaalsContact OD1-N 3.17Å; D631-N633 PolarHBondContact OD1-ND2 3.42Å; D631-N633 PolarHBondContact OD2-ND2 2.95Å; N633-F635 VanDerWaalsContact C-N 3.32Å |
| 634 | D | 73.5 | Confident | 83.7 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 51% | 0.508 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -89.8 | -0.5 | -178.3 | -64.1 | -34.4 | 0 | 0 | 0 | 112.8 | P604 I630 D631 H632 T636 | P604-D634 HydrophobicContact CG-CB 3.76Å; I630-D634 HydrophobicContact CG2-CB 4.37Å; D631-D634 PolarHBondContact O-N 2.99Å; H632-D634 VanDerWaalsContact C-N 3.28Å; D634-T636 PolarHBondContact O-N 2.75Å |
| 635 | F | 82.1 | Confident | 83.8 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | trans | -67.7 | 118.4 | -179.5 | -82.9 | 32.4 | 0 | 0 | 0 | 110.5 | Y627 I630 H632 N633 M639 W640 Y643 | Y627-F635 HydrophobicContact CD1-CE1 4.13Å; Y627-F635 HydrophobicContact CD1-CE2 4Å; Y627-F635 AromaticContact CD1-CZ 3.57Å; Y627-F635 HydrophobicContact CD1-CZ 3.57Å; Y627-F635 HydrophobicContact CE1-CZ 4.42Å; Y627-F635 HydrophobicContact CG-CE2 4.5Å; Y627-F635 HydrophobicContact CG-CZ 4.1Å; I630-F635 HydrophobicContact CB-CE1 3.97Å; I630-F635 HydrophobicContact CG2-CD1 3.97Å; I630-F635 HydrophobicContact CG2-CE1 3.72Å; H632-F635 AromaticContact CE1-CZ 3.67Å; H632-F635 AromaticContact ND1-CE1 3.53Å; H632-F635 AromaticContact ND1-CE2 3.44Å; H632-F635 WeakPolarHBondContact ND1-CE2 3.26Å; H632-F635 AromaticContact ND1-CZ 3.13Å; H632-F635 WeakPolarHBondContact ND1-CZ 3.37Å; H632-F635 PolarHBondContact O-N 3.34Å; N633-F635 VanDerWaalsContact C-N 3.32Å; F635-M639 HydrophobicContact CB-CB 4.27Å; F635-M639 HydrophobicContact CD1-CE 3.79Å; F635-M639 HydrophobicContact CD2-CB 4.32Å; F635-M639 HydrophobicContact CE1-CE 4.1Å; F635-M639 HydrophobicContact CG-CB 4.28Å; F635-M639 HydrophobicContact CG-CE 4.22Å; F635-W640 HydrophobicContact CB-CD2 4.17Å; F635-W640 HydrophobicContact CB-CG 4.17Å; F635-W640 HydrophobicContact CB-CZ2 3.96Å; F635-W640 AromaticContact CD2-CD2 3.72Å; F635-W640 HydrophobicContact CD2-CD2 3.72Å; F635-W640 AromaticContact CD2-CE2 3.62Å; F635-W640 AromaticContact CD2-CE3 3.94Å; F635-W640 HydrophobicContact CD2-CE3 3.94Å; F635-W640 HydrophobicContact CD2-CG 4.22Å; F635-W640 AromaticContact CD2-CH2 3.96Å; F635-W640 HydrophobicContact CD2-CH2 3.96Å; F635-W640 AromaticContact CD2-CZ2 3.72Å; F635-W640 HydrophobicContact CD2-CZ2 3.72Å; F635-W640 HydrophobicContact CD2-CZ3 4.08Å; F635-W640 HydrophobicContact CE2-CE3 4.46Å; F635-W640 HydrophobicContact CE2-CH2 4.31Å; F635-W640 HydrophobicContact CE2-CZ2 4.48Å; F635-W640 HydrophobicContact CE2-CZ3 4.32Å; F635-W640 HydrophobicContact CG-CD2 4.43Å; F635-W640 AromaticContact CG-CE2 3.95Å; F635-W640 HydrophobicContact CG-CZ2 4.04Å; F635-Y643 HydrophobicContact CE2-CD2 4.36Å; F635-Y643 HydrophobicContact CE2-CG 4.28Å | ||
| 636 | T | 81.1 | Confident | 84 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 44% | 0.436 | 26% | 0.255 | S | S | . | . | trans | -67.9 | 163.2 | 166.9 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | D634 D638 M639 W640 | D634-T636 PolarHBondContact O-N 2.75Å; T636-D638 PolarHBondContact O-N 3.09Å; T636-M639 HydrophobicContact CG2-SD 4.28Å; T636-M639 WeakPolarHBondContact O-CB 3.26Å; T636-M639 PolarHBondContact O-N 3.34Å; T636-M639 VanDerWaalsContact O-N 3.1Å; T636-M639 VanDerWaalsContact OG1-CG 3.27Å; T636-M639 WeakPolarHBondContact OG1-CG 3.29Å; T636-M639 PolarHBondContact OG1-N 3.41Å; T636-W640 PolarHBondContact O-N 3.04Å | ||
| 637 | K | 80.7 | Confident | 84.2 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 21% | 0.213 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.6 | -38.8 | 176.8 | 178.2 | 175.4 | 152.8 | -106.6 | 0 | 112.5 | M639 W640 L641 V663 A666 K667 Y672 | K637-M639 VanDerWaalsContact C-N 3.34Å; K637-W640 PolarHBondContact O-N 3.43Å; K637-L641 PolarHBondContact O-N 3.42Å; K637-V663 HydrophobicContact CG-CG1 4.11Å; K637-A666 HydrophobicContact CD-CB 3.98Å; K637-A666 HydrophobicContact CG-CB 4.39Å; K637-K667 HydrophobicContact CD-CB 3.91Å; K637-K667 VanDerWaalsContact CE-CB 3.46Å; K637-Y672 VanDerWaalsContact NZ-CZ 3.34Å; K637-Y672 PolarHBondContact NZ-OH 2.85Å |
| 638 | D | 83.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.7 | -32.7 | 179.7 | -58.1 | -34.7 | 0 | 0 | 0 | 111.4 | Y608 T636 L641 N642 | Y608-D638 HydrophobicContact CE2-CB 3.74Å; Y608-D638 WeakPolarHBondContact CE2-O 3.31Å; T636-D638 PolarHBondContact O-N 3.09Å; D638-L641 PolarHBondContact O-N 3.46Å; D638-N642 PolarHBondContact O-N 3.47Å |
| 639 | M | 86.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 170.7 | -70.1 | 169.5 | 76.2 | 0 | 0 | 112.1 | P604 Y608 Y627 I630 F635 T636 K637 L641 N642 Y643 | P604-M639 HydrophobicContact CB-CE 3.83Å; P604-M639 HydrophobicContact CB-SD 3.67Å; Y608-M639 HydrophobicContact CD2-CB 4.38Å; Y608-M639 HydrophobicContact CD2-CG 3.63Å; Y608-M639 HydrophobicContact CG-CG 4.07Å; Y627-M639 HydrophobicContact CD1-CE 4.15Å; Y627-M639 HydrophobicContact CE1-CB 4.17Å; Y627-M639 HydrophobicContact CE1-CE 3.75Å; Y627-M639 HydrophobicContact CE1-CG 4.27Å; I630-M639 HydrophobicContact CD1-CE 4.22Å; I630-M639 HydrophobicContact CG2-CE 4.39Å; F635-M639 HydrophobicContact CB-CB 4.27Å; F635-M639 HydrophobicContact CD1-CE 3.79Å; F635-M639 HydrophobicContact CD2-CB 4.32Å; F635-M639 HydrophobicContact CE1-CE 4.1Å; F635-M639 HydrophobicContact CG-CB 4.28Å; F635-M639 HydrophobicContact CG-CE 4.22Å; T636-M639 HydrophobicContact CG2-SD 4.28Å; T636-M639 WeakPolarHBondContact O-CB 3.26Å; T636-M639 PolarHBondContact O-N 3.34Å; T636-M639 VanDerWaalsContact O-N 3.1Å; T636-M639 VanDerWaalsContact OG1-CG 3.27Å; T636-M639 WeakPolarHBondContact OG1-CG 3.29Å; T636-M639 PolarHBondContact OG1-N 3.41Å; K637-M639 VanDerWaalsContact C-N 3.34Å; M639-L641 VanDerWaalsContact C-N 3.26Å; M639-L641 PolarHBondContact O-N 2.86Å; M639-N642 PolarHBondContact O-N 3.35Å; M639-Y643 VanDerWaalsContact O-CB 3.28Å; M639-Y643 WeakPolarHBondContact O-CB 3.33Å; M639-Y643 PolarHBondContact O-N 3.28Å |
| 640 | W | 90.6 | Very high | 84.7 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | 175.3 | -80.9 | 112.8 | 0 | 0 | 0 | 112.3 | H632 F635 T636 K637 Y643 G644 A659 R662 V663 | H632-W640 HydrophobicContact CB-CH2 3.94Å; H632-W640 HydrophobicContact CB-CZ2 3.88Å; H632-W640 AromaticContact CG-CH2 3.94Å; H632-W640 AromaticContact ND1-CH2 3.98Å; H632-W640 WeakPolarHBondContact O-CZ2 3.38Å; F635-W640 HydrophobicContact CB-CD2 4.17Å; F635-W640 HydrophobicContact CB-CG 4.17Å; F635-W640 HydrophobicContact CB-CZ2 3.96Å; F635-W640 AromaticContact CD2-CD2 3.72Å; F635-W640 HydrophobicContact CD2-CD2 3.72Å; F635-W640 AromaticContact CD2-CE2 3.62Å; F635-W640 AromaticContact CD2-CE3 3.94Å; F635-W640 HydrophobicContact CD2-CE3 3.94Å; F635-W640 HydrophobicContact CD2-CG 4.22Å; F635-W640 AromaticContact CD2-CH2 3.96Å; F635-W640 HydrophobicContact CD2-CH2 3.96Å; F635-W640 AromaticContact CD2-CZ2 3.72Å; F635-W640 HydrophobicContact CD2-CZ2 3.72Å; F635-W640 HydrophobicContact CD2-CZ3 4.08Å; F635-W640 HydrophobicContact CE2-CE3 4.46Å; F635-W640 HydrophobicContact CE2-CH2 4.31Å; F635-W640 HydrophobicContact CE2-CZ2 4.48Å; F635-W640 HydrophobicContact CE2-CZ3 4.32Å; F635-W640 HydrophobicContact CG-CD2 4.43Å; F635-W640 AromaticContact CG-CE2 3.95Å; F635-W640 HydrophobicContact CG-CZ2 4.04Å; T636-W640 PolarHBondContact O-N 3.04Å; K637-W640 PolarHBondContact O-N 3.43Å; W640-Y643 HydrophobicContact CE3-CD1 4.39Å; W640-Y643 HydrophobicContact CZ3-CD1 4.28Å; W640-G644 PolarHBondContact O-N 2.98Å; W640-A659 HydrophobicContact CE3-CB 3.68Å; W640-A659 HydrophobicContact CZ3-CB 4.02Å; W640-R662 HydrophobicContact CD2-CB 4.41Å; W640-R662 HydrophobicContact CG-CB 4.46Å; W640-V663 HydrophobicContact CB-CG2 3.52Å |
| 641 | L | 90.9 | Very high | 84.8 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 176.3 | 179.1 | 64.9 | 0 | 0 | 0 | 111.4 | K637 D638 M639 G644 L645 L660 V663 Y672 I675 | K637-L641 PolarHBondContact O-N 3.42Å; D638-L641 PolarHBondContact O-N 3.46Å; M639-L641 VanDerWaalsContact C-N 3.26Å; M639-L641 PolarHBondContact O-N 2.86Å; L641-G644 PolarHBondContact O-N 2.86Å; L641-L645 HydrophobicContact CD1-CD1 4.16Å; L641-L645 HydrophobicContact CD1-CG 4.28Å; L641-L645 HydrophobicContact CG-CD1 4.02Å; L641-L645 WeakPolarHBondContact O-CB 3.5Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.46Å; L641-L645 PolarHBondContact O-N 3.02Å; L641-L660 HydrophobicContact CD1-CD2 4.26Å; L641-V663 HydrophobicContact CB-CG1 4.35Å; L641-V663 HydrophobicContact CB-CG2 4.09Å; L641-V663 HydrophobicContact CD1-CG1 4.4Å; L641-Y672 HydrophobicContact CD1-CD1 3.95Å; L641-Y672 HydrophobicContact CD1-CE1 4.1Å; L641-Y672 HydrophobicContact CD2-CD1 4.37Å; L641-Y672 HydrophobicContact CD2-CE1 3.66Å; L641-Y672 HydrophobicContact CG-CE1 4.49Å; L641-I675 HydrophobicContact CD1-CD1 4.22Å |
| 642 | N | 89.8 | Confident | 85.2 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -46 | 177.8 | -82.9 | -4.6 | 0 | 0 | 0 | 112.2 | Y608 V612 D638 M639 G644 L645 I646 | Y608-N642 WeakPolarHBondContact CD2-ND2 3.33Å; Y608-N642 HydrophobicContact CE2-CB 4.32Å; Y608-N642 WeakPolarHBondContact CE2-ND2 3.47Å; V612-N642 WeakPolarHBondContact CG2-ND2 3.19Å; D638-N642 PolarHBondContact O-N 3.47Å; M639-N642 PolarHBondContact O-N 3.35Å; N642-G644 VanDerWaalsContact C-N 3.28Å; N642-G644 PolarHBondContact O-N 2.88Å; N642-L645 PolarHBondContact O-N 3.21Å; N642-I646 WeakPolarHBondContact O-CB 3.5Å; N642-I646 WeakPolarHBondContact O-CD1 3.33Å; N642-I646 WeakPolarHBondContact O-CG1 3.11Å; N642-I646 PolarHBondContact O-N 3.36Å |
| 643 | Y | 91 | Very high | 85.4 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 12% | 0.122 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 175 | -179.5 | -93.9 | 0 | 0 | 0 | 111.4 | L624 Y627 F635 M639 W640 N647 D655 A659 | L624-Y643 HydrophobicContact CG-CE2 4.46Å; Y627-Y643 AromaticContact CD2-CD2 3.83Å; Y627-Y643 HydrophobicContact CD2-CD2 3.83Å; Y627-Y643 AromaticContact CG-CD2 3.97Å; Y627-Y643 HydrophobicContact CG-CD2 3.97Å; F635-Y643 HydrophobicContact CE2-CD2 4.36Å; F635-Y643 HydrophobicContact CE2-CG 4.28Å; M639-Y643 VanDerWaalsContact O-CB 3.28Å; M639-Y643 WeakPolarHBondContact O-CB 3.33Å; M639-Y643 PolarHBondContact O-N 3.28Å; W640-Y643 HydrophobicContact CE3-CD1 4.39Å; W640-Y643 HydrophobicContact CZ3-CD1 4.28Å; Y643-N647 WeakPolarHBondContact CD1-ND2 3.25Å; Y643-N647 WeakPolarHBondContact CE1-ND2 3.39Å; Y643-N647 VanDerWaalsContact CZ-ND2 3.25Å; Y643-N647 WeakPolarHBondContact O-CB 3.45Å; Y643-N647 PolarHBondContact O-N 3.45Å; Y643-N647 VanDerWaalsContact O-N 3.13Å; Y643-N647 PolarHBondContact O-ND2 2.71Å; Y643-D655 HydrophobicContact CE1-CB 4.47Å; Y643-A659 HydrophobicContact CD1-CB 3.62Å; Y643-A659 HydrophobicContact CE1-CB 4.1Å |
| 644 | G | 89.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W640 L641 N642 N647 L648 C656 | W640-G644 PolarHBondContact O-N 2.98Å; L641-G644 PolarHBondContact O-N 2.86Å; N642-G644 VanDerWaalsContact C-N 3.28Å; N642-G644 PolarHBondContact O-N 2.88Å; G644-N647 PolarHBondContact O-N 2.97Å; G644-L648 WeakPolarHBondContact O-CB 3.36Å; G644-L648 PolarHBondContact O-N 3.42Å; G644-C656 PolarHBondContact O-SG 3.29Å |
| 645 | L | 91.2 | Very high | 86.3 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 179.3 | -72.2 | 173.2 | 0 | 0 | 0 | 112.8 | L641 N642 L648 R649 I675 | L641-L645 HydrophobicContact CD1-CD1 4.16Å; L641-L645 HydrophobicContact CD1-CG 4.28Å; L641-L645 HydrophobicContact CG-CD1 4.02Å; L641-L645 WeakPolarHBondContact O-CB 3.5Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.46Å; L641-L645 PolarHBondContact O-N 3.02Å; N642-L645 PolarHBondContact O-N 3.21Å; L645-L648 PolarHBondContact O-N 3.29Å; L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 3.35Å; L645-I675 HydrophobicContact CD2-CD1 4.32Å; L645-I675 HydrophobicContact CD2-CG2 3.77Å |
| 646 | I | 90.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 174.3 | -67.9 | 160.9 | 0 | 0 | 0 | 109.6 | C615 W620 A623 L624 Y627 N642 L648 R649 L650 | C615-I646 VanDerWaalsContact SG-CD1 3.53Å; C615-I646 WeakPolarHBondContact SG-CG1 3.38Å; W620-I646 WeakPolarHBondContact O-CG2 3.27Å; A623-I646 HydrophobicContact CB-CD1 3.9Å; A623-I646 HydrophobicContact CB-CG1 4.5Å; L624-I646 HydrophobicContact CB-CG2 4.16Å; L624-I646 HydrophobicContact CD1-CG2 4.33Å; Y627-I646 HydrophobicContact CE2-CD1 3.88Å; N642-I646 WeakPolarHBondContact O-CB 3.5Å; N642-I646 WeakPolarHBondContact O-CD1 3.33Å; N642-I646 WeakPolarHBondContact O-CG1 3.11Å; N642-I646 PolarHBondContact O-N 3.36Å; I646-L648 VanDerWaalsContact C-N 3.3Å; I646-L648 PolarHBondContact O-N 3.11Å; I646-R649 PolarHBondContact O-N 2.76Å; I646-L650 HydrophobicContact CG2-CD1 3.86Å; I646-L650 HydrophobicContact CG2-CG 4.44Å; I646-L650 WeakPolarHBondContact O-CB 3.4Å; I646-L650 WeakPolarHBondContact O-CG 3.39Å; I646-L650 PolarHBondContact O-N 2.79Å |
| 647 | N | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 177.6 | -79.9 | -60.1 | 0 | 0 | 0 | 112.8 | L624 Y643 G644 G651 R652 C656 | L624-N647 WeakPolarHBondContact CD1-OD1 3.47Å; Y643-N647 WeakPolarHBondContact CD1-ND2 3.25Å; Y643-N647 WeakPolarHBondContact CE1-ND2 3.39Å; Y643-N647 VanDerWaalsContact CZ-ND2 3.25Å; Y643-N647 WeakPolarHBondContact O-CB 3.45Å; Y643-N647 PolarHBondContact O-N 3.45Å; Y643-N647 VanDerWaalsContact O-N 3.13Å; Y643-N647 PolarHBondContact O-ND2 2.71Å; G644-N647 PolarHBondContact O-N 2.97Å; N647-G651 PolarHBondContact O-N 3.45Å; N647-R652 HydrophobicContact CB-CB 4.26Å; N647-R652 PolarHBondContact O-N 2.75Å; N647-R652 WeakPolarHBondContact OD1-CB 3.38Å; N647-C656 HydrophobicContact CB-CB 3.75Å |
| 648 | L | 87.1 | Confident | 87.5 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.4 | -169.8 | 142.6 | 0 | 0 | 0 | 111.7 | G644 L645 I646 G651 I675 A679 F682 | G644-L648 WeakPolarHBondContact O-CB 3.36Å; G644-L648 PolarHBondContact O-N 3.42Å; L645-L648 PolarHBondContact O-N 3.29Å; I646-L648 VanDerWaalsContact C-N 3.3Å; I646-L648 PolarHBondContact O-N 3.11Å; L648-G651 PolarHBondContact O-N 3.04Å; L648-I675 HydrophobicContact CD1-CG2 4.47Å; L648-A679 HydrophobicContact CD1-CB 3.72Å; L648-F682 HydrophobicContact CD2-CE2 4.5Å |
| 649 | R | 85.2 | Confident | 87.7 | Confident | 179 Ų | 179 | 42 Ų | 42 | 68% | 0.675 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.7 | -40.1 | 176.3 | -72.1 | -60.9 | -164.5 | -172.7 | 2 | 112.9 | W620 L645 I646 G651 | W620-R649 HydrophobicContact CD2-CB 4.27Å; W620-R649 HydrophobicContact CE3-CB 4.19Å; W620-R649 HydrophobicContact CE3-CG 4.36Å; W620-R649 HydrophobicContact CH2-CG 4.24Å; W620-R649 HydrophobicContact CZ3-CB 4.44Å; W620-R649 HydrophobicContact CZ3-CG 4.11Å; L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 3.35Å; I646-R649 PolarHBondContact O-N 2.76Å; R649-G651 PolarHBondContact O-N 3.37Å |
| 650 | L | 85.6 | Confident | 87.9 | Confident | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2.8 | 175.5 | -72.4 | 175 | 0 | 0 | 0 | 113.8 | W620 E621 L624 I646 R652 | W620-L650 HydrophobicContact CB-CD1 4.24Å; W620-L650 HydrophobicContact CB-CD2 3.51Å; W620-L650 HydrophobicContact CB-CG 3.78Å; W620-L650 HydrophobicContact CG-CD2 4.4Å; E621-L650 HydrophobicContact CG-CD2 3.94Å; L624-L650 HydrophobicContact CD1-CD1 3.96Å; I646-L650 HydrophobicContact CG2-CD1 3.86Å; I646-L650 HydrophobicContact CG2-CG 4.44Å; I646-L650 WeakPolarHBondContact O-CB 3.4Å; I646-L650 WeakPolarHBondContact O-CG 3.39Å; I646-L650 PolarHBondContact O-N 2.79Å; L650-R652 HydrophobicContact CB-CG 4.02Å; L650-R652 PolarHBondContact O-N 3.18Å |
| 651 | G | 80.9 | Confident | 87.9 | Confident | 50 Ų | 50 | 44.6 Ų | 44.6 | 52% | 0.515 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 9.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N647 L648 R649 I653 | N647-G651 PolarHBondContact O-N 3.45Å; L648-G651 PolarHBondContact O-N 3.04Å; R649-G651 PolarHBondContact O-N 3.37Å; G651-I653 PolarHBondContact O-N 2.83Å |
| 652 | R | 87.2 | Confident | 87.8 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | trans | -79.4 | 68.1 | 177.1 | -63.7 | -176.5 | -170.8 | -173.9 | 5.3 | 110.6 | E621 N647 L650 N654 D655 C656 | E621-R652 IonicContact OE1-NH2 3.26Å; E621-R652 PolarHBondContact OE1-NH2 2.85Å; N647-R652 HydrophobicContact CB-CB 4.26Å; N647-R652 PolarHBondContact O-N 2.75Å; N647-R652 WeakPolarHBondContact OD1-CB 3.38Å; L650-R652 HydrophobicContact CB-CG 4.02Å; L650-R652 PolarHBondContact O-N 3.18Å; R652-N654 VanDerWaalsContact C-N 3.26Å; R652-N654 PolarHBondContact O-N 3.2Å; R652-D655 PolarHBondContact O-N 3.45Å; R652-C656 WeakPolarHBondContact O-CB 3.44Å; R652-C656 PolarHBondContact O-N 3.46Å; R652-C656 VanDerWaalsContact O-N 3.14Å | ||
| 653 | I | 82.2 | Confident | 87.7 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -31.1 | -171.6 | -64.4 | 165.4 | 0 | 0 | 0 | 112.7 | G651 D655 C656 L657 F682 R683 | G651-I653 PolarHBondContact O-N 2.83Å; I653-D655 PolarHBondContact O-N 2.98Å; I653-C656 PolarHBondContact O-N 3.15Å; I653-L657 HydrophobicContact CG2-CD1 4.09Å; I653-L657 HydrophobicContact CG2-CG 4.32Å; I653-L657 PolarHBondContact O-N 2.91Å; I653-F682 HydrophobicContact CD1-CB 4.25Å; I653-R683 HydrophobicContact CD1-CB 4.45Å; I653-R683 HydrophobicContact CG2-CB 3.65Å; I653-R683 HydrophobicContact CG2-CG 3.65Å |
| 654 | N | 83.1 | Confident | 87.6 | Confident | 125 Ų | 125 | 47.1 Ų | 47.1 | 67% | 0.668 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.7 | -37 | -177.8 | -68.7 | -23.2 | 0 | 0 | 0 | 112.8 | R652 P658 | R652-N654 VanDerWaalsContact C-N 3.26Å; R652-N654 PolarHBondContact O-N 3.2Å; N654-P658 WeakPolarHBondContact O-CD 3.12Å; N654-P658 WeakPolarHBondContact O-CG 2.83Å |
| 655 | D | 84.1 | Confident | 87.4 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -88.9 | -29.8 | 179 | -58 | -40.3 | 0 | 0 | 0 | 111.8 | Y643 R652 I653 L657 | Y643-D655 HydrophobicContact CE1-CB 4.47Å; R652-D655 PolarHBondContact O-N 3.45Å; I653-D655 PolarHBondContact O-N 2.98Å; D655-L657 PolarHBondContact O-N 3.48Å |
| 656 | C | 89.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | G644 N647 R652 I653 A659 L660 | G644-C656 PolarHBondContact O-SG 3.29Å; N647-C656 HydrophobicContact CB-CB 3.75Å; R652-C656 WeakPolarHBondContact O-CB 3.44Å; R652-C656 PolarHBondContact O-N 3.46Å; R652-C656 VanDerWaalsContact O-N 3.14Å; I653-C656 PolarHBondContact O-N 3.15Å; C656-A659 PolarHBondContact O-N 3.41Å; C656-L660 WeakPolarHBondContact O-CG 3.49Å; C656-L660 PolarHBondContact O-N 2.94Å; C656-L660 WeakPolarHBondContact SG-CD1 2.99Å |
| 657 | L | 90.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67 | -50.3 | -171.5 | -75.3 | 175 | 0 | 0 | 0 | 113.9 | I653 D655 A659 L660 Q661 L676 A679 Y680 | I653-L657 HydrophobicContact CG2-CD1 4.09Å; I653-L657 HydrophobicContact CG2-CG 4.32Å; I653-L657 PolarHBondContact O-N 2.91Å; D655-L657 PolarHBondContact O-N 3.48Å; L657-A659 PolarHBondContact O-N 3.16Å; L657-L660 PolarHBondContact O-N 3.11Å; L657-Q661 WeakPolarHBondContact O-CB 3.23Å; L657-Q661 WeakPolarHBondContact O-CG 3.33Å; L657-Q661 PolarHBondContact O-N 3.31Å; L657-L676 HydrophobicContact CD2-CD1 3.91Å; L657-A679 HydrophobicContact CD2-CB 3.78Å; L657-Y680 HydrophobicContact CD1-CD1 3.95Å; L657-Y680 HydrophobicContact CD1-CE1 3.71Å; L657-Y680 HydrophobicContact CD2-CD1 3.68Å; L657-Y680 HydrophobicContact CD2-CD2 4.34Å; L657-Y680 HydrophobicContact CD2-CE1 3.54Å; L657-Y680 HydrophobicContact CD2-CE2 4.23Å; L657-Y680 HydrophobicContact CD2-CG 4.07Å; L657-Y680 HydrophobicContact CG-CE1 4.25Å |
| 658 | P | 89.1 | Confident | 86 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 176.4 | -23.8 | 33.7 | 0 | 0 | 0 | 112.7 | N654 R662 | N654-P658 WeakPolarHBondContact O-CD 3.12Å; N654-P658 WeakPolarHBondContact O-CG 2.83Å; P658-R662 WeakPolarHBondContact O-CG 3.18Å; P658-R662 PolarHBondContact O-N 2.78Å |
| 659 | A | 88.2 | Confident | 86 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -52.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W640 Y643 C656 L657 Q661 R662 V663 | W640-A659 HydrophobicContact CE3-CB 3.68Å; W640-A659 HydrophobicContact CZ3-CB 4.02Å; Y643-A659 HydrophobicContact CD1-CB 3.62Å; Y643-A659 HydrophobicContact CE1-CB 4.1Å; C656-A659 PolarHBondContact O-N 3.41Å; L657-A659 PolarHBondContact O-N 3.16Å; A659-Q661 VanDerWaalsContact C-N 3.31Å; A659-Q661 PolarHBondContact O-N 3.17Å; A659-R662 WeakPolarHBondContact O-CB 3.21Å; A659-R662 PolarHBondContact O-N 3.12Å; A659-R662 VanDerWaalsContact O-N 3.17Å; A659-V663 PolarHBondContact O-N 3.34Å |
| 660 | L | 90.7 | Very high | 86.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 178.7 | -68.1 | 176.7 | 0 | 0 | 0 | 112.4 | L641 C656 L657 R662 V663 V664 I675 L676 A679 | L641-L660 HydrophobicContact CD1-CD2 4.26Å; C656-L660 WeakPolarHBondContact O-CG 3.49Å; C656-L660 PolarHBondContact O-N 2.94Å; C656-L660 WeakPolarHBondContact SG-CD1 2.99Å; L657-L660 PolarHBondContact O-N 3.11Å; L660-R662 VanDerWaalsContact C-N 3.31Å; L660-R662 PolarHBondContact O-N 2.96Å; L660-V663 WeakPolarHBondContact O-CB 3.42Å; L660-V663 PolarHBondContact O-N 3.44Å; L660-V664 WeakPolarHBondContact O-CG2 3.38Å; L660-V664 PolarHBondContact O-N 2.85Å; L660-V664 VanDerWaalsContact O-N 3.12Å; L660-I675 HydrophobicContact CD1-CG2 3.87Å; L660-I675 HydrophobicContact CD2-CG2 3.94Å; L660-L676 HydrophobicContact CB-CD1 3.79Å; L660-A679 HydrophobicContact CD1-CB 3.88Å |
| 661 | Q | 90.9 | Very high | 86.3 | Confident | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 173.9 | -74.5 | 171.4 | 5.2 | 0 | 0 | 112.1 | L657 A659 V664 L665 L676 Y680 | L657-Q661 WeakPolarHBondContact O-CB 3.23Å; L657-Q661 WeakPolarHBondContact O-CG 3.33Å; L657-Q661 PolarHBondContact O-N 3.31Å; A659-Q661 VanDerWaalsContact C-N 3.31Å; A659-Q661 PolarHBondContact O-N 3.17Å; Q661-V664 PolarHBondContact O-N 3.42Å; Q661-L665 WeakPolarHBondContact O-CG 3.31Å; Q661-L665 PolarHBondContact O-N 3.33Å; Q661-L665 VanDerWaalsContact O-N 3.09Å; Q661-L676 HydrophobicContact CG-CD1 4.14Å; Q661-L676 HydrophobicContact CG-CD2 4.48Å; Q661-Y680 PolarHBondContact NE2-OH 3.4Å |
| 662 | R | 88 | Confident | 86.8 | Confident | 125 Ų | 125 | 56.7 Ų | 56.7 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 175.2 | -70.5 | 179.3 | -178.1 | -154.2 | 1 | 112.4 | W640 P658 A659 L660 V664 L665 A666 | W640-R662 HydrophobicContact CD2-CB 4.41Å; W640-R662 HydrophobicContact CG-CB 4.46Å; P658-R662 WeakPolarHBondContact O-CG 3.18Å; P658-R662 PolarHBondContact O-N 2.78Å; A659-R662 WeakPolarHBondContact O-CB 3.21Å; A659-R662 PolarHBondContact O-N 3.12Å; A659-R662 VanDerWaalsContact O-N 3.17Å; L660-R662 VanDerWaalsContact C-N 3.31Å; L660-R662 PolarHBondContact O-N 2.96Å; R662-V664 VanDerWaalsContact C-N 3.31Å; R662-V664 PolarHBondContact O-N 3.49Å; R662-L665 PolarHBondContact O-N 3.27Å; R662-A666 PolarHBondContact O-N 3.2Å; R662-A666 VanDerWaalsContact O-N 3.14Å |
| 663 | V | 88.6 | Confident | 87 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | K637 W640 L641 A659 L660 A666 K667 Y672 | K637-V663 HydrophobicContact CG-CG1 4.11Å; W640-V663 HydrophobicContact CB-CG2 3.52Å; L641-V663 HydrophobicContact CB-CG1 4.35Å; L641-V663 HydrophobicContact CB-CG2 4.09Å; L641-V663 HydrophobicContact CD1-CG1 4.4Å; A659-V663 PolarHBondContact O-N 3.34Å; L660-V663 WeakPolarHBondContact O-CB 3.42Å; L660-V663 PolarHBondContact O-N 3.44Å; V663-A666 PolarHBondContact O-N 2.83Å; V663-K667 PolarHBondContact O-N 3.48Å; V663-K667 VanDerWaalsContact O-N 3.12Å; V663-Y672 HydrophobicContact CG1-CD1 3.91Å; V663-Y672 HydrophobicContact CG1-CD2 3.75Å; V663-Y672 HydrophobicContact CG1-CE1 4.23Å; V663-Y672 HydrophobicContact CG1-CE2 4.11Å; V663-Y672 HydrophobicContact CG1-CG 3.67Å |
| 664 | V | 87.3 | Confident | 87.5 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.7 | -36.5 | -178.4 | 171.5 | 0 | 0 | 0 | 0 | 112.2 | L660 Q661 R662 A666 K667 W673 L676 | L660-V664 WeakPolarHBondContact O-CG2 3.38Å; L660-V664 PolarHBondContact O-N 2.85Å; L660-V664 VanDerWaalsContact O-N 3.12Å; Q661-V664 PolarHBondContact O-N 3.42Å; R662-V664 VanDerWaalsContact C-N 3.31Å; R662-V664 PolarHBondContact O-N 3.49Å; V664-A666 VanDerWaalsContact C-N 3.28Å; V664-A666 PolarHBondContact O-N 3.48Å; V664-K667 CarbonylContact O-C 3.28Å; V664-W673 HydrophobicContact CG1-CD2 3.59Å; V664-W673 HydrophobicContact CG1-CE3 3.94Å; V664-W673 HydrophobicContact CG1-CG 4.28Å; V664-W673 HydrophobicContact CG1-CH2 3.32Å; V664-W673 HydrophobicContact CG1-CZ2 3.02Å; V664-W673 HydrophobicContact CG1-CZ3 3.81Å; V664-L676 HydrophobicContact CG2-CB 4.49Å; V664-L676 HydrophobicContact CG2-CD2 4.16Å |
| 665 | L | 86.2 | Confident | 87.9 | Confident | 153 Ų | 153 | 47.5 Ų | 47.5 | 80% | 0.801 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.5 | -32.8 | 173 | -73.2 | 170.2 | 0 | 0 | 0 | 112.5 | Q661 R662 | Q661-L665 WeakPolarHBondContact O-CG 3.31Å; Q661-L665 PolarHBondContact O-N 3.33Å; Q661-L665 VanDerWaalsContact O-N 3.09Å; R662-L665 PolarHBondContact O-N 3.27Å |
| 666 | A | 80 | Confident | 88.3 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 60% | 0.603 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -81.1 | -37.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K637 R662 V663 V664 | K637-A666 HydrophobicContact CD-CB 3.98Å; K637-A666 HydrophobicContact CG-CB 4.39Å; R662-A666 PolarHBondContact O-N 3.2Å; R662-A666 VanDerWaalsContact O-N 3.14Å; V663-A666 PolarHBondContact O-N 2.83Å; V664-A666 VanDerWaalsContact C-N 3.28Å; V664-A666 PolarHBondContact O-N 3.48Å |
| 667 | K | 78.9 | Confident | 88.3 | Confident | 103 Ų | 103 | 44 Ų | 44 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | trans | -140.5 | 124.7 | 171.7 | -174.8 | -176 | 164.2 | -162.3 | 0 | 109.4 | K637 V663 V664 D669 Y672 | K637-K667 HydrophobicContact CD-CB 3.91Å; K637-K667 VanDerWaalsContact CE-CB 3.46Å; V663-K667 PolarHBondContact O-N 3.48Å; V663-K667 VanDerWaalsContact O-N 3.12Å; V664-K667 CarbonylContact O-C 3.28Å; K667-D669 VanDerWaalsContact C-N 3.32Å; K667-D669 HydrophobicContact CD-CB 4.41Å; K667-D669 VanDerWaalsContact CE-OD2 3.29Å; K667-D669 WeakPolarHBondContact CE-OD2 3.47Å; K667-D669 HydrophobicContact CG-CB 4.37Å; K667-D669 IonicContact NZ-OD2 3.31Å; K667-D669 PolarHBondContact NZ-OD2 2.85Å; K667-D669 PolarHBondContact O-N 3Å; K667-Y672 HydrophobicContact CB-CE2 4.22Å; K667-Y672 HydrophobicContact CD-CE2 4.17Å; K667-Y672 HydrophobicContact CG-CE2 4.47Å | ||
| 668 | N | 83.6 | Confident | 88.4 | Confident | 104 Ų | 104 | 46 Ų | 46 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | trans | -79.9 | 81 | 176.6 | -160.6 | 28.7 | 0 | 0 | 0 | 110.1 | W673 L699 | N668-W673 PolarHBondContact OD1-NE1 3.28Å; N668-L699 VanDerWaalsContact ND2-CD2 3.34Å; N668-L699 WeakPolarHBondContact ND2-CD2 3.4Å; N668-L699 WeakPolarHBondContact OD1-CD1 3.37Å | ||
| 669 | D | 86 | Confident | 88.4 | Confident | 29 Ų | 29 | 43 Ų | 43 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | trans | -113.1 | 136.2 | 179.7 | -161.3 | -43 | 0 | 0 | 0 | 109.3 | K667 L671 Y672 W673 | K667-D669 VanDerWaalsContact C-N 3.32Å; K667-D669 HydrophobicContact CD-CB 4.41Å; K667-D669 VanDerWaalsContact CE-OD2 3.29Å; K667-D669 WeakPolarHBondContact CE-OD2 3.47Å; K667-D669 HydrophobicContact CG-CB 4.37Å; K667-D669 IonicContact NZ-OD2 3.31Å; K667-D669 PolarHBondContact NZ-OD2 2.85Å; K667-D669 PolarHBondContact O-N 3Å; D669-L671 PolarHBondContact O-N 3.2Å; D669-L671 PolarHBondContact OD1-N 3.47Å; D669-L671 VanDerWaalsContact OD1-N 3.17Å; D669-Y672 HydrophobicContact CB-CD2 3.38Å; D669-Y672 HydrophobicContact CB-CE2 3.47Å; D669-Y672 VanDerWaalsContact CB-CE2 3.47Å; D669-Y672 HydrophobicContact CB-CG 4.12Å; D669-Y672 PolarHBondContact O-N 2.88Å; D669-W673 PolarHBondContact O-N 3.33Å | ||
| 670 | A | 87.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -31.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y672 W673 E674 A696 L699 E700 | A670-Y672 PolarHBondContact O-N 3.47Å; A670-W673 PolarHBondContact O-N 3.45Å; A670-E674 PolarHBondContact O-N 3.36Å; A670-A696 WeakPolarHBondContact O-CB 3.37Å; A670-L699 HydrophobicContact CB-CB 4.03Å; A670-E700 HydrophobicContact CB-CB 3.71Å; A670-E700 HydrophobicContact CB-CG 3.86Å |
| 671 | L | 89.5 | Confident | 88.5 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.1 | -37.5 | -177.7 | -177 | 64.5 | 0 | 0 | 0 | 111.7 | D669 E674 I675 | D669-L671 PolarHBondContact O-N 3.2Å; D669-L671 PolarHBondContact OD1-N 3.47Å; D669-L671 VanDerWaalsContact OD1-N 3.17Å; L671-E674 PolarHBondContact O-N 2.96Å; L671-I675 HydrophobicContact CD1-CD1 4.39Å; L671-I675 HydrophobicContact CG-CD1 4.04Å; L671-I675 VanDerWaalsContact O-CG1 3.32Å; L671-I675 WeakPolarHBondContact O-CG1 3.06Å; L671-I675 PolarHBondContact O-N 3.3Å |
| 672 | Y | 91 | Very high | 88.2 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.2 | -34.4 | -179.2 | -53.9 | -36.8 | 0 | 0 | 0 | 112 | K637 L641 V663 K667 D669 A670 L676 | K637-Y672 VanDerWaalsContact NZ-CZ 3.34Å; K637-Y672 PolarHBondContact NZ-OH 2.85Å; L641-Y672 HydrophobicContact CD1-CD1 3.95Å; L641-Y672 HydrophobicContact CD1-CE1 4.1Å; L641-Y672 HydrophobicContact CD2-CD1 4.37Å; L641-Y672 HydrophobicContact CD2-CE1 3.66Å; L641-Y672 HydrophobicContact CG-CE1 4.49Å; V663-Y672 HydrophobicContact CG1-CD1 3.91Å; V663-Y672 HydrophobicContact CG1-CD2 3.75Å; V663-Y672 HydrophobicContact CG1-CE1 4.23Å; V663-Y672 HydrophobicContact CG1-CE2 4.11Å; V663-Y672 HydrophobicContact CG1-CG 3.67Å; K667-Y672 HydrophobicContact CB-CE2 4.22Å; K667-Y672 HydrophobicContact CD-CE2 4.17Å; K667-Y672 HydrophobicContact CG-CE2 4.47Å; D669-Y672 HydrophobicContact CB-CD2 3.38Å; D669-Y672 HydrophobicContact CB-CE2 3.47Å; D669-Y672 VanDerWaalsContact CB-CE2 3.47Å; D669-Y672 HydrophobicContact CB-CG 4.12Å; D669-Y672 PolarHBondContact O-N 2.88Å; A670-Y672 PolarHBondContact O-N 3.47Å; Y672-L676 VanDerWaalsContact O-CB 3.27Å; Y672-L676 WeakPolarHBondContact O-CB 3.5Å; Y672-L676 PolarHBondContact O-N 2.96Å |
| 673 | W | 92.6 | Very high | 88.1 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | 171.8 | -76 | 107.5 | 0 | 0 | 0 | 112.4 | V664 N668 D669 A670 L676 G677 A692 R695 A696 L699 | V664-W673 HydrophobicContact CG1-CD2 3.59Å; V664-W673 HydrophobicContact CG1-CE3 3.94Å; V664-W673 HydrophobicContact CG1-CG 4.28Å; V664-W673 HydrophobicContact CG1-CH2 3.32Å; V664-W673 HydrophobicContact CG1-CZ2 3.02Å; V664-W673 HydrophobicContact CG1-CZ3 3.81Å; N668-W673 PolarHBondContact OD1-NE1 3.28Å; D669-W673 PolarHBondContact O-N 3.33Å; A670-W673 PolarHBondContact O-N 3.45Å; W673-L676 HydrophobicContact CE3-CD2 3.97Å; W673-L676 HydrophobicContact CZ3-CD2 3.85Å; W673-L676 PolarHBondContact O-N 2.89Å; W673-G677 PolarHBondContact O-N 2.87Å; W673-A692 HydrophobicContact CE3-CB 4.27Å; W673-R695 HydrophobicContact CD2-CB 3.79Å; W673-R695 HydrophobicContact CE3-CB 4Å; W673-R695 HydrophobicContact CG-CB 4.13Å; W673-A696 HydrophobicContact CB-CB 3.64Å; W673-L699 HydrophobicContact CG-CD1 4.46Å |
| 674 | E | 91.7 | Very high | 87.9 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 174.7 | -175.9 | -178.6 | 95.8 | 0 | 0 | 111.6 | A670 L671 L676 G677 E678 A696 F705 T706 L709 | A670-E674 PolarHBondContact O-N 3.36Å; L671-E674 PolarHBondContact O-N 2.96Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.4Å; E674-G677 PolarHBondContact O-N 3.46Å; E674-G677 VanDerWaalsContact O-N 3.16Å; E674-E678 PolarHBondContact O-N 3Å; E674-A696 HydrophobicContact CB-CB 4.45Å; E674-F705 HydrophobicContact CG-CD1 4.19Å; E674-F705 VanDerWaalsContact OE1-CD1 3.29Å; E674-F705 WeakPolarHBondContact OE1-CD1 3.48Å; E674-T706 PolarHBondContact OE2-N 3.33Å; E674-T706 PolarHBondContact OE2-OG1 3.43Å; E674-L709 HydrophobicContact CG-CD1 4.4Å |
| 675 | I | 91.6 | Very high | 88 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.4 | -63.6 | 162.9 | 0 | 0 | 0 | 110.9 | L641 L645 L648 L660 L671 G677 E678 A679 | L641-I675 HydrophobicContact CD1-CD1 4.22Å; L645-I675 HydrophobicContact CD2-CD1 4.32Å; L645-I675 HydrophobicContact CD2-CG2 3.77Å; L648-I675 HydrophobicContact CD1-CG2 4.47Å; L660-I675 HydrophobicContact CD1-CG2 3.87Å; L660-I675 HydrophobicContact CD2-CG2 3.94Å; L671-I675 HydrophobicContact CD1-CD1 4.39Å; L671-I675 HydrophobicContact CG-CD1 4.04Å; L671-I675 VanDerWaalsContact O-CG1 3.32Å; L671-I675 WeakPolarHBondContact O-CG1 3.06Å; L671-I675 PolarHBondContact O-N 3.3Å; I675-G677 VanDerWaalsContact C-N 3.34Å; I675-G677 PolarHBondContact O-N 3.21Å; I675-E678 PolarHBondContact O-N 3.47Å; I675-A679 PolarHBondContact O-N 3.33Å |
| 676 | L | 92.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 175.6 | 179.9 | 65.3 | 0 | 0 | 0 | 111.7 | L657 L660 Q661 V664 Y672 W673 E674 A679 Y680 | L657-L676 HydrophobicContact CD2-CD1 3.91Å; L660-L676 HydrophobicContact CB-CD1 3.79Å; Q661-L676 HydrophobicContact CG-CD1 4.14Å; Q661-L676 HydrophobicContact CG-CD2 4.48Å; V664-L676 HydrophobicContact CG2-CB 4.49Å; V664-L676 HydrophobicContact CG2-CD2 4.16Å; Y672-L676 VanDerWaalsContact O-CB 3.27Å; Y672-L676 WeakPolarHBondContact O-CB 3.5Å; Y672-L676 PolarHBondContact O-N 2.96Å; W673-L676 HydrophobicContact CE3-CD2 3.97Å; W673-L676 HydrophobicContact CZ3-CD2 3.85Å; W673-L676 PolarHBondContact O-N 2.89Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.4Å; L676-A679 WeakPolarHBondContact O-CB 3.28Å; L676-A679 PolarHBondContact O-N 3.49Å; L676-Y680 HydrophobicContact CD1-CD2 4.32Å; L676-Y680 HydrophobicContact CD1-CE2 3.75Å; L676-Y680 HydrophobicContact CD2-CE2 4.12Å; L676-Y680 HydrophobicContact CG-CD2 4.08Å; L676-Y680 HydrophobicContact CG-CE2 3.64Å; L676-Y680 WeakPolarHBondContact O-CD2 3.32Å; L676-Y680 PolarHBondContact O-N 3.29Å; L676-Y680 VanDerWaalsContact O-N 3.09Å |
| 677 | G | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W673 E674 I675 Y680 L681 A689 F693 | W673-G677 PolarHBondContact O-N 2.87Å; E674-G677 PolarHBondContact O-N 3.46Å; E674-G677 VanDerWaalsContact O-N 3.16Å; I675-G677 VanDerWaalsContact C-N 3.34Å; I675-G677 PolarHBondContact O-N 3.21Å; G677-Y680 PolarHBondContact O-N 2.9Å; G677-L681 PolarHBondContact O-N 3Å; G677-A689 WeakPolarHBondContact O-CB 3.37Å; G677-F693 VanDerWaalsContact CA-CE1 3.45Å; G677-F693 WeakPolarHBondContact O-CZ 3.48Å |
| 678 | E | 91.5 | Very high | 89.1 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 174 | -176.5 | 175 | -171.3 | 0 | 0 | 111.3 | E674 I675 Y680 L681 F682 L709 | E674-E678 PolarHBondContact O-N 3Å; I675-E678 PolarHBondContact O-N 3.47Å; E678-Y680 VanDerWaalsContact C-N 3.33Å; E678-Y680 PolarHBondContact O-N 3.18Å; E678-L681 WeakPolarHBondContact O-CB 3.03Å; E678-L681 PolarHBondContact O-N 2.98Å; E678-F682 HydrophobicContact CG-CD2 3.87Å; E678-F682 HydrophobicContact CG-CE2 3.66Å; E678-F682 WeakPolarHBondContact O-CD2 3.18Å; E678-F682 PolarHBondContact O-N 2.82Å; E678-L709 HydrophobicContact CB-CD1 4.18Å |
| 679 | A | 90 | Very high | 89.5 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L648 L657 L660 I675 L676 L681 F682 R683 | L648-A679 HydrophobicContact CD1-CB 3.72Å; L657-A679 HydrophobicContact CD2-CB 3.78Å; L660-A679 HydrophobicContact CD1-CB 3.88Å; I675-A679 PolarHBondContact O-N 3.33Å; L676-A679 WeakPolarHBondContact O-CB 3.28Å; L676-A679 PolarHBondContact O-N 3.49Å; A679-L681 VanDerWaalsContact C-N 3.33Å; A679-L681 PolarHBondContact O-N 3.28Å; A679-F682 PolarHBondContact O-N 2.82Å; A679-R683 PolarHBondContact O-N 3.22Å |
| 680 | Y | 91.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -33.8 | 174.7 | -75.8 | -57.2 | 0 | 0 | 0 | 112.9 | L657 Q661 L676 G677 E678 R683 R684 S685 A692 | L657-Y680 HydrophobicContact CD1-CD1 3.95Å; L657-Y680 HydrophobicContact CD1-CE1 3.71Å; L657-Y680 HydrophobicContact CD2-CD1 3.68Å; L657-Y680 HydrophobicContact CD2-CD2 4.34Å; L657-Y680 HydrophobicContact CD2-CE1 3.54Å; L657-Y680 HydrophobicContact CD2-CE2 4.23Å; L657-Y680 HydrophobicContact CD2-CG 4.07Å; L657-Y680 HydrophobicContact CG-CE1 4.25Å; Q661-Y680 PolarHBondContact NE2-OH 3.4Å; L676-Y680 HydrophobicContact CD1-CD2 4.32Å; L676-Y680 HydrophobicContact CD1-CE2 3.75Å; L676-Y680 HydrophobicContact CD2-CE2 4.12Å; L676-Y680 HydrophobicContact CG-CD2 4.08Å; L676-Y680 HydrophobicContact CG-CE2 3.64Å; L676-Y680 WeakPolarHBondContact O-CD2 3.32Å; L676-Y680 PolarHBondContact O-N 3.29Å; L676-Y680 VanDerWaalsContact O-N 3.09Å; G677-Y680 PolarHBondContact O-N 2.9Å; E678-Y680 VanDerWaalsContact C-N 3.33Å; E678-Y680 PolarHBondContact O-N 3.18Å; Y680-R683 PolarHBondContact O-N 2.92Å; Y680-R684 PolarHBondContact O-N 3.42Å; Y680-S685 PolarHBondContact O-N 3.41Å; Y680-A692 HydrophobicContact CD2-CB 4.31Å |
| 681 | L | 87.4 | Confident | 90 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 176.1 | -166.3 | 156.9 | 0 | 0 | 0 | 110.7 | G677 E678 A679 R683 R684 A689 F693 R712 A713 | G677-L681 PolarHBondContact O-N 3Å; E678-L681 WeakPolarHBondContact O-CB 3.03Å; E678-L681 PolarHBondContact O-N 2.98Å; A679-L681 VanDerWaalsContact C-N 3.33Å; A679-L681 PolarHBondContact O-N 3.28Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 3.41Å; L681-R684 WeakPolarHBondContact O-CA 3.22Å; L681-R684 PolarHBondContact O-N 3.08Å; L681-A689 HydrophobicContact CB-CB 4.29Å; L681-F693 HydrophobicContact CD1-CE2 4.15Å; L681-F693 HydrophobicContact CD1-CZ 4.24Å; L681-R712 HydrophobicContact CD1-CB 4.38Å; L681-A713 HydrophobicContact CD1-CB 4.16Å |
| 682 | F | 84.7 | Confident | 90 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -36 | 173.2 | -82.2 | -70.1 | 0 | 0 | 0 | 112.8 | L648 I653 E678 A679 R684 | L648-F682 HydrophobicContact CD2-CE2 4.5Å; I653-F682 HydrophobicContact CD1-CB 4.25Å; E678-F682 HydrophobicContact CG-CD2 3.87Å; E678-F682 HydrophobicContact CG-CE2 3.66Å; E678-F682 WeakPolarHBondContact O-CD2 3.18Å; E678-F682 PolarHBondContact O-N 2.82Å; A679-F682 PolarHBondContact O-N 2.82Å; F682-R684 PolarHBondContact O-N 3.23Å; F682-R684 VanDerWaalsContact O-N 3.11Å |
| 683 | R | 86.6 | Confident | 90.1 | Very high | 123 Ų | 123 | 49.7 Ų | 49.7 | 46% | 0.464 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -6 | 171.1 | -158.6 | 174.8 | 171.9 | -164.4 | -1.3 | 113.8 | I653 A679 Y680 L681 S685 | I653-R683 HydrophobicContact CD1-CB 4.45Å; I653-R683 HydrophobicContact CG2-CB 3.65Å; I653-R683 HydrophobicContact CG2-CG 3.65Å; A679-R683 PolarHBondContact O-N 3.22Å; Y680-R683 PolarHBondContact O-N 2.92Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 3.41Å; R683-S685 PolarHBondContact O-N 3.39Å |
| 684 | R | 85.3 | Confident | 90.1 | Very high | 196 Ų | 196 | 51.1 Ų | 51.1 | 74% | 0.74 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 21.1 | -169.8 | -51.7 | 178.9 | 179.5 | -175.9 | -1.2 | 113.1 | Y680 L681 F682 Y686 | Y680-R684 PolarHBondContact O-N 3.42Å; L681-R684 WeakPolarHBondContact O-CA 3.22Å; L681-R684 PolarHBondContact O-N 3.08Å; F682-R684 PolarHBondContact O-N 3.23Å; F682-R684 VanDerWaalsContact O-N 3.11Å; R684-Y686 VanDerWaalsContact C-N 3.35Å; R684-Y686 HydrophobicContact CB-CE1 4.26Å; R684-Y686 HydrophobicContact CB-CE2 4.22Å; R684-Y686 WeakPolarHBondContact O-CD2 3.46Å; R684-Y686 WeakPolarHBondContact O-CE2 3.19Å; R684-Y686 PolarHBondContact O-N 3.01Å |
| 685 | S | 88.1 | Confident | 90.1 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | trans | -91.9 | 69 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | Y680 R683 E687 T688 A689 | Y680-S685 PolarHBondContact O-N 3.41Å; R683-S685 PolarHBondContact O-N 3.39Å; S685-E687 PolarHBondContact O-N 3.36Å; S685-T688 VanDerWaalsContact CB-OG1 3.24Å; S685-T688 WeakPolarHBondContact CB-OG1 3.48Å; S685-T688 PolarHBondContact O-N 3.21Å; S685-T688 PolarHBondContact O-OG1 3.21Å; S685-A689 PolarHBondContact O-N 2.89Å | ||
| 686 | Y | 88.9 | Confident | 90.1 | Very high | 53 Ų | 53 | 56 Ų | 56 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | -167.7 | -49.9 | -62.1 | 0 | 0 | 0 | 113.7 | R684 T688 A689 V690 H716 M717 | R684-Y686 VanDerWaalsContact C-N 3.35Å; R684-Y686 HydrophobicContact CB-CE1 4.26Å; R684-Y686 HydrophobicContact CB-CE2 4.22Å; R684-Y686 WeakPolarHBondContact O-CD2 3.46Å; R684-Y686 WeakPolarHBondContact O-CE2 3.19Å; R684-Y686 PolarHBondContact O-N 3.01Å; Y686-T688 PolarHBondContact O-N 3.49Å; Y686-A689 WeakPolarHBondContact O-CB 3.47Å; Y686-A689 PolarHBondContact O-N 3.08Å; Y686-V690 WeakPolarHBondContact O-CG2 3.27Å; Y686-V690 PolarHBondContact O-N 2.92Å; Y686-H716 HydrophobicContact CD1-CB 3.73Å; Y686-H716 HydrophobicContact CD2-CB 4.15Å; Y686-H716 HydrophobicContact CE1-CB 3.48Å; Y686-H716 VanDerWaalsContact CE1-CB 3.48Å; Y686-H716 AromaticContact CE1-CG 3.77Å; Y686-H716 HydrophobicContact CE2-CB 3.92Å; Y686-H716 HydrophobicContact CG-CB 4.06Å; Y686-H716 AromaticContact CZ-CG 3.96Å; Y686-M717 HydrophobicContact CD2-CG 4.25Å; Y686-M717 HydrophobicContact CG-CG 4.03Å |
| 687 | E | 89 | Confident | 90 | Very high | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | -178.3 | -131.2 | 166.3 | -107.5 | 0 | 0 | 112.3 | S685 K691 M717 | S685-E687 PolarHBondContact O-N 3.36Å; E687-K691 PolarHBondContact O-N 3.22Å; E687-M717 HydrophobicContact CB-CE 3.62Å; E687-M717 HydrophobicContact CB-SD 4.42Å; E687-M717 HydrophobicContact CG-CE 3.4Å; E687-M717 VanDerWaalsContact CG-CE 3.4Å; E687-M717 HydrophobicContact CG-SD 4.38Å; E687-M717 WeakPolarHBondContact OE1-CE 3.31Å |
| 688 | T | 90.7 | Very high | 89.9 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.9 | -33 | 174.7 | 46.3 | 0 | 0 | 0 | 0 | 112 | S685 Y686 K691 A692 | S685-T688 VanDerWaalsContact CB-OG1 3.24Å; S685-T688 WeakPolarHBondContact CB-OG1 3.48Å; S685-T688 PolarHBondContact O-N 3.21Å; S685-T688 PolarHBondContact O-OG1 3.21Å; Y686-T688 PolarHBondContact O-N 3.49Å; T688-K691 PolarHBondContact O-N 3.1Å; T688-A692 PolarHBondContact O-N 3.42Å; T688-A692 VanDerWaalsContact O-N 3.07Å |
| 689 | A | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G677 L681 S685 Y686 K691 A692 F693 A713 | G677-A689 WeakPolarHBondContact O-CB 3.37Å; L681-A689 HydrophobicContact CB-CB 4.29Å; S685-A689 PolarHBondContact O-N 2.89Å; Y686-A689 WeakPolarHBondContact O-CB 3.47Å; Y686-A689 PolarHBondContact O-N 3.08Å; A689-K691 VanDerWaalsContact C-N 3.35Å; A689-K691 PolarHBondContact O-N 3.29Å; A689-A692 WeakPolarHBondContact O-CB 3.36Å; A689-A692 PolarHBondContact O-N 2.97Å; A689-A692 VanDerWaalsContact O-N 3.12Å; A689-F693 HydrophobicContact CB-CD2 4.34Å; A689-F693 HydrophobicContact CB-CE2 3.83Å; A689-F693 HydrophobicContact CB-CZ 4.49Å; A689-F693 WeakPolarHBondContact O-CD2 3.32Å; A689-F693 VanDerWaalsContact O-CG 3.3Å; A689-F693 WeakPolarHBondContact O-CG 3.21Å; A689-F693 PolarHBondContact O-N 3.14Å; A689-A713 HydrophobicContact CB-CB 4.47Å |
| 690 | V | 92.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 68 Ų | 68 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | Y686 A692 F693 N694 A713 Y714 M717 | Y686-V690 WeakPolarHBondContact O-CG2 3.27Å; Y686-V690 PolarHBondContact O-N 2.92Å; V690-A692 VanDerWaalsContact C-N 3.31Å; V690-A692 PolarHBondContact O-N 3.28Å; V690-F693 PolarHBondContact O-N 3.19Å; V690-N694 WeakPolarHBondContact O-CB 3.27Å; V690-N694 VanDerWaalsContact O-CG 3.25Å; V690-N694 PolarHBondContact O-N 2.86Å; V690-N694 PolarHBondContact O-ND2 3.1Å; V690-A713 HydrophobicContact CG2-CB 3.83Å; V690-Y714 HydrophobicContact CG1-CE1 3.8Å; V690-Y714 HydrophobicContact CG1-CE2 4.03Å; V690-Y714 WeakPolarHBondContact CG1-OH 3.37Å; V690-Y714 HydrophobicContact CG2-CD1 4.11Å; V690-Y714 HydrophobicContact CG2-CD2 4.39Å; V690-Y714 HydrophobicContact CG2-CE1 3.96Å; V690-Y714 HydrophobicContact CG2-CE2 4.25Å; V690-Y714 HydrophobicContact CG2-CG 4.33Å; V690-M717 HydrophobicContact CG2-SD 4.39Å |
| 691 | K | 92.2 | Very high | 89.3 | Confident | 136 Ų | 136 | 70.7 Ų | 70.7 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.3 | -38.8 | 176.4 | -71 | 175.6 | -175.8 | 172.8 | 0 | 112.4 | E687 T688 A689 R695 | E687-K691 PolarHBondContact O-N 3.22Å; T688-K691 PolarHBondContact O-N 3.1Å; A689-K691 VanDerWaalsContact C-N 3.35Å; A689-K691 PolarHBondContact O-N 3.29Å; K691-R695 PolarHBondContact O-N 3.44Å |
| 692 | A | 90.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.5 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W673 Y680 T688 A689 V690 N694 R695 A696 | W673-A692 HydrophobicContact CE3-CB 4.27Å; Y680-A692 HydrophobicContact CD2-CB 4.31Å; T688-A692 PolarHBondContact O-N 3.42Å; T688-A692 VanDerWaalsContact O-N 3.07Å; A689-A692 WeakPolarHBondContact O-CB 3.36Å; A689-A692 PolarHBondContact O-N 2.97Å; A689-A692 VanDerWaalsContact O-N 3.12Å; V690-A692 VanDerWaalsContact C-N 3.31Å; V690-A692 PolarHBondContact O-N 3.28Å; A692-N694 PolarHBondContact O-N 2.99Å; A692-R695 PolarHBondContact O-N 3Å; A692-A696 PolarHBondContact O-N 3.32Å |
| 693 | F | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 175.7 | -63.6 | -44.1 | 0 | 0 | 0 | 112.6 | G677 L681 A689 V690 R695 A696 L697 T706 L709 C710 A713 | G677-F693 VanDerWaalsContact CA-CE1 3.45Å; G677-F693 WeakPolarHBondContact O-CZ 3.48Å; L681-F693 HydrophobicContact CD1-CE2 4.15Å; L681-F693 HydrophobicContact CD1-CZ 4.24Å; A689-F693 HydrophobicContact CB-CD2 4.34Å; A689-F693 HydrophobicContact CB-CE2 3.83Å; A689-F693 HydrophobicContact CB-CZ 4.49Å; A689-F693 WeakPolarHBondContact O-CD2 3.32Å; A689-F693 VanDerWaalsContact O-CG 3.3Å; A689-F693 WeakPolarHBondContact O-CG 3.21Å; A689-F693 PolarHBondContact O-N 3.14Å; V690-F693 PolarHBondContact O-N 3.19Å; F693-R695 VanDerWaalsContact C-N 3.29Å; F693-R695 PolarHBondContact O-N 3Å; F693-A696 WeakPolarHBondContact O-CB 3.47Å; F693-A696 PolarHBondContact O-N 3.5Å; F693-A696 VanDerWaalsContact O-N 3.12Å; F693-L697 WeakPolarHBondContact O-CG 3.32Å; F693-L697 PolarHBondContact O-N 3.47Å; F693-T706 HydrophobicContact CB-CG2 3.92Å; F693-T706 HydrophobicContact CD1-CG2 3.93Å; F693-T706 HydrophobicContact CG-CG2 4.29Å; F693-L709 HydrophobicContact CD1-CB 4.45Å; F693-L709 HydrophobicContact CE1-CB 3.78Å; F693-L709 HydrophobicContact CE1-CD1 3.85Å; F693-L709 HydrophobicContact CE2-CB 4Å; F693-L709 HydrophobicContact CZ-CB 3.53Å; F693-L709 HydrophobicContact CZ-CD1 4.07Å; F693-L709 HydrophobicContact CZ-CG 4.42Å; F693-C710 HydrophobicContact CB-CB 3.92Å; F693-C710 HydrophobicContact CD2-CB 3.97Å; F693-C710 HydrophobicContact CG-CB 4.17Å; F693-A713 HydrophobicContact CE2-CB 4.22Å |
| 694 | N | 92.1 | Very high | 89 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 175.7 | -72.4 | -18.3 | 0 | 0 | 0 | 111.5 | V690 A692 L697 D698 | V690-N694 WeakPolarHBondContact O-CB 3.27Å; V690-N694 VanDerWaalsContact O-CG 3.25Å; V690-N694 PolarHBondContact O-N 2.86Å; V690-N694 PolarHBondContact O-ND2 3.1Å; A692-N694 PolarHBondContact O-N 2.99Å; N694-L697 PolarHBondContact O-N 3.16Å; N694-D698 PolarHBondContact O-N 3.47Å |
| 695 | R | 91.7 | Very high | 89 | Confident | 138 Ų | 138 | 59.2 Ų | 59.2 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 172.9 | -74.8 | -174.4 | 175.3 | -179.7 | -0.9 | 113.3 | W673 K691 A692 F693 L697 D698 L699 | W673-R695 HydrophobicContact CD2-CB 3.79Å; W673-R695 HydrophobicContact CE3-CB 4Å; W673-R695 HydrophobicContact CG-CB 4.13Å; K691-R695 PolarHBondContact O-N 3.44Å; A692-R695 PolarHBondContact O-N 3Å; F693-R695 VanDerWaalsContact C-N 3.29Å; F693-R695 PolarHBondContact O-N 3Å; R695-L697 VanDerWaalsContact C-N 3.31Å; R695-D698 PolarHBondContact O-N 3.04Å; R695-L699 VanDerWaalsContact O-CG 3.31Å; R695-L699 WeakPolarHBondContact O-CG 3.25Å; R695-L699 PolarHBondContact O-N 3.37Å |
| 696 | A | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A670 W673 E674 A692 F693 L699 E700 T706 | A670-A696 WeakPolarHBondContact O-CB 3.37Å; W673-A696 HydrophobicContact CB-CB 3.64Å; E674-A696 HydrophobicContact CB-CB 4.45Å; A692-A696 PolarHBondContact O-N 3.32Å; F693-A696 WeakPolarHBondContact O-CB 3.47Å; F693-A696 PolarHBondContact O-N 3.5Å; F693-A696 VanDerWaalsContact O-N 3.12Å; A696-L699 PolarHBondContact O-N 2.95Å; A696-E700 PolarHBondContact O-N 3.35Å; A696-T706 HydrophobicContact CB-CG2 3.78Å |
| 697 | L | 89.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.8 | -33.2 | 178.3 | -66.5 | 168.4 | 0 | 0 | 0 | 113.3 | F693 N694 R695 L699 E700 P701 T706 L707 | F693-L697 WeakPolarHBondContact O-CG 3.32Å; F693-L697 PolarHBondContact O-N 3.47Å; N694-L697 PolarHBondContact O-N 3.16Å; R695-L697 VanDerWaalsContact C-N 3.31Å; L697-L699 PolarHBondContact O-N 2.84Å; L697-E700 CarbonylContact O-C 3.44Å; L697-E700 VanDerWaalsContact O-C 3.32Å; L697-P701 VanDerWaalsContact O-CA 3.32Å; L697-P701 WeakPolarHBondContact O-CA 3.42Å; L697-T706 HydrophobicContact CD1-CG2 4.35Å; L697-T706 HydrophobicContact CD2-CG2 4.03Å; L697-T706 HydrophobicContact CG-CG2 3.82Å; L697-L707 HydrophobicContact CD1-CD2 3.62Å; L697-L707 HydrophobicContact CD1-CG 4.36Å; L697-L707 HydrophobicContact CD2-CD2 3.89Å; L697-L707 HydrophobicContact CD2-CG 3.83Å; L697-L707 HydrophobicContact CG-CD2 4.43Å |
| 698 | D | 90 | Very high | 89.1 | Confident | 135 Ų | 135 | 49.5 Ų | 49.5 | 72% | 0.722 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63 | -32.9 | 173.4 | -70.9 | -26 | 0 | 0 | 0 | 111.5 | N694 R695 | N694-D698 PolarHBondContact O-N 3.47Å; R695-D698 PolarHBondContact O-N 3.04Å |
| 699 | L | 88.8 | Confident | 89 | Confident | 66 Ų | 66 | 47.4 Ų | 47.4 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -84.3 | -48.4 | -179.7 | -66 | 169.5 | 0 | 0 | 0 | 112.5 | N668 A670 W673 R695 A696 L697 | N668-L699 VanDerWaalsContact ND2-CD2 3.34Å; N668-L699 WeakPolarHBondContact ND2-CD2 3.4Å; N668-L699 WeakPolarHBondContact OD1-CD1 3.37Å; A670-L699 HydrophobicContact CB-CB 4.03Å; W673-L699 HydrophobicContact CG-CD1 4.46Å; R695-L699 VanDerWaalsContact O-CG 3.31Å; R695-L699 WeakPolarHBondContact O-CG 3.25Å; R695-L699 PolarHBondContact O-N 3.37Å; A696-L699 PolarHBondContact O-N 2.95Å; L697-L699 PolarHBondContact O-N 2.84Å |
| 700 | E | 85.5 | Confident | 89 | Confident | 81 Ų | 81 | 47.4 Ų | 47.4 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | trans | -129.3 | 103.9 | 172 | -76.7 | -172.8 | -154.9 | 0 | 0 | 109.9 | A670 A696 L697 N702 R703 | A670-E700 HydrophobicContact CB-CB 3.71Å; A670-E700 HydrophobicContact CB-CG 3.86Å; A696-E700 PolarHBondContact O-N 3.35Å; L697-E700 CarbonylContact O-C 3.44Å; L697-E700 VanDerWaalsContact O-C 3.32Å; E700-N702 PolarHBondContact O-N 3.39Å; E700-R703 HydrophobicContact CB-CG 3.97Å; E700-R703 IonicContact OE1-CZ 3.99Å; E700-R703 IonicContact OE1-NH2 3.99Å; E700-R703 PolarHBondContact OE1-NH2 2.62Å; E700-R703 IonicContact OE2-CZ 2.91Å; E700-R703 IonicContact OE2-NE 3.5Å; E700-R703 PolarHBondContact OE2-NE 3.37Å; E700-R703 IonicContact OE2-NH2 3.04Å; E700-R703 PolarHBondContact OE2-NH2 3.29Å | ||
| 701 | P | 85.5 | Confident | 88.9 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -69.4 | -22.5 | 179.2 | 24.6 | -32.5 | 0 | 0 | 0 | 112.6 | L697 R703 M733 | L697-P701 VanDerWaalsContact O-CA 3.32Å; L697-P701 WeakPolarHBondContact O-CA 3.42Å; P701-R703 VanDerWaalsContact C-N 3.28Å; P701-R703 PolarHBondContact O-N 3.27Å; P701-R703 VanDerWaalsContact O-N 3.09Å; P701-M733 WeakPolarHBondContact O-CE 3.49Å |
| 702 | N | 83.6 | Confident | 88.7 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | trans | -87.9 | 52.9 | -176.3 | -165.6 | 15.5 | 0 | 0 | 0 | 113 | E700 | E700-N702 PolarHBondContact O-N 3.39Š| ||
| 703 | R | 85.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | trans | -123.1 | 91.2 | 179.3 | -66.2 | -133.5 | 170.5 | 156.4 | 3.4 | 112.3 | E700 P701 F705 T706 L707 | E700-R703 HydrophobicContact CB-CG 3.97Å; E700-R703 IonicContact OE1-CZ 3.99Å; E700-R703 IonicContact OE1-NH2 3.99Å; E700-R703 PolarHBondContact OE1-NH2 2.62Å; E700-R703 IonicContact OE2-CZ 2.91Å; E700-R703 IonicContact OE2-NE 3.5Å; E700-R703 PolarHBondContact OE2-NE 3.37Å; E700-R703 IonicContact OE2-NH2 3.04Å; E700-R703 PolarHBondContact OE2-NH2 3.29Å; P701-R703 VanDerWaalsContact C-N 3.28Å; P701-R703 PolarHBondContact O-N 3.27Å; P701-R703 VanDerWaalsContact O-N 3.09Å; R703-F705 VanDerWaalsContact C-N 3.27Å; R703-F705 PolarHBondContact O-N 2.87Å; R703-T706 VanDerWaalsContact CB-OG1 3.23Å; R703-T706 WeakPolarHBondContact CB-OG1 3.35Å; R703-T706 PolarHBondContact O-N 3.39Å; R703-L707 PolarHBondContact O-N 2.92Å | ||
| 704 | P | 83.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -32.5 | -178.4 | 24.2 | -32.5 | 0 | 0 | 0 | 112.3 | L707 V708 I734 Y744 | P704-L707 PolarHBondContact O-N 3.12Å; P704-V708 WeakPolarHBondContact O-CG2 3.34Å; P704-V708 PolarHBondContact O-N 3.46Å; P704-I734 HydrophobicContact CB-CD1 4.14Å; P704-I734 HydrophobicContact CB-CG1 3.93Å; P704-I734 HydrophobicContact CG-CG1 4.47Å; P704-Y744 HydrophobicContact CG-CE1 4.05Å |
| 705 | F | 86.2 | Confident | 88 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 179 | -172.2 | -107.6 | 0 | 0 | 0 | 112.2 | E674 R703 L707 V708 L709 F747 | E674-F705 HydrophobicContact CG-CD1 4.19Å; E674-F705 VanDerWaalsContact OE1-CD1 3.29Å; E674-F705 WeakPolarHBondContact OE1-CD1 3.48Å; R703-F705 VanDerWaalsContact C-N 3.27Å; R703-F705 PolarHBondContact O-N 2.87Å; F705-L707 VanDerWaalsContact C-N 3.3Å; F705-L707 PolarHBondContact O-N 3.35Å; F705-V708 PolarHBondContact O-N 3.43Å; F705-V708 VanDerWaalsContact O-N 3.16Å; F705-L709 HydrophobicContact CD1-CD1 3.88Å; F705-L709 HydrophobicContact CD1-CG 4.34Å; F705-L709 HydrophobicContact CE1-CD1 3.43Å; F705-L709 VanDerWaalsContact CE1-CD1 3.43Å; F705-L709 HydrophobicContact CE1-CG 4.05Å; F705-L709 HydrophobicContact CZ-CD1 3.94Å; F705-L709 HydrophobicContact CZ-CD2 4.29Å; F705-L709 HydrophobicContact CZ-CG 4.19Å; F705-L709 PolarHBondContact O-N 3.35Å; F705-F747 HydrophobicContact CD2-CD1 4.3Å; F705-F747 AromaticContact CD2-CE1 3.44Å; F705-F747 HydrophobicContact CD2-CE1 3.44Å; F705-F747 VanDerWaalsContact CD2-CE1 3.44Å; F705-F747 AromaticContact CD2-CZ 3.76Å; F705-F747 HydrophobicContact CD2-CZ 3.76Å; F705-F747 AromaticContact CE2-CE1 3.68Å; F705-F747 HydrophobicContact CE2-CE1 3.68Å; F705-F747 HydrophobicContact CE2-CZ 4.02Å |
| 706 | T | 89.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -44 | 172.9 | -44 | 0 | 0 | 0 | 0 | 111.6 | E674 F693 A696 L697 R703 V708 L709 C710 | E674-T706 PolarHBondContact OE2-N 3.33Å; E674-T706 PolarHBondContact OE2-OG1 3.43Å; F693-T706 HydrophobicContact CB-CG2 3.92Å; F693-T706 HydrophobicContact CD1-CG2 3.93Å; F693-T706 HydrophobicContact CG-CG2 4.29Å; A696-T706 HydrophobicContact CB-CG2 3.78Å; L697-T706 HydrophobicContact CD1-CG2 4.35Å; L697-T706 HydrophobicContact CD2-CG2 4.03Å; L697-T706 HydrophobicContact CG-CG2 3.82Å; R703-T706 VanDerWaalsContact CB-OG1 3.23Å; R703-T706 WeakPolarHBondContact CB-OG1 3.35Å; R703-T706 PolarHBondContact O-N 3.39Å; T706-V708 PolarHBondContact O-N 3.17Å; T706-L709 PolarHBondContact O-N 3.32Å; T706-C710 VanDerWaalsContact O-CB 3.26Å; T706-C710 WeakPolarHBondContact O-CB 3.34Å; T706-C710 PolarHBondContact O-N 3.3Å |
| 707 | L | 90.2 | Very high | 87.2 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 177.8 | -72.9 | 171.7 | 0 | 0 | 0 | 112.6 | L697 R703 P704 F705 C710 G711 C726 N729 A730 M733 | L697-L707 HydrophobicContact CD1-CD2 3.62Å; L697-L707 HydrophobicContact CD1-CG 4.36Å; L697-L707 HydrophobicContact CD2-CD2 3.89Å; L697-L707 HydrophobicContact CD2-CG 3.83Å; L697-L707 HydrophobicContact CG-CD2 4.43Å; R703-L707 PolarHBondContact O-N 2.92Å; P704-L707 PolarHBondContact O-N 3.12Å; F705-L707 VanDerWaalsContact C-N 3.3Å; F705-L707 PolarHBondContact O-N 3.35Å; L707-C710 PolarHBondContact O-N 3.26Å; L707-G711 PolarHBondContact O-N 3.24Å; L707-C726 WeakPolarHBondContact O-CB 3.48Å; L707-N729 HydrophobicContact CD1-CB 4.06Å; L707-A730 HydrophobicContact CB-CB 3.78Å; L707-A730 HydrophobicContact CD1-CB 4.24Å; L707-M733 HydrophobicContact CD1-CE 3.95Å; L707-M733 HydrophobicContact CD1-SD 3.47Å; L707-M733 WeakPolarHBondContact CD1-SD 3.41Å |
| 708 | V | 88.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | P704 F705 T706 G711 R712 F727 A730 I751 | P704-V708 WeakPolarHBondContact O-CG2 3.34Å; P704-V708 PolarHBondContact O-N 3.46Å; F705-V708 PolarHBondContact O-N 3.43Å; F705-V708 VanDerWaalsContact O-N 3.16Å; T706-V708 PolarHBondContact O-N 3.17Å; V708-G711 PolarHBondContact O-N 3.08Å; V708-R712 WeakPolarHBondContact O-CG 3.39Å; V708-R712 PolarHBondContact O-N 3.27Å; V708-F727 HydrophobicContact CG1-CE1 4.23Å; V708-A730 HydrophobicContact CG2-CB 4.06Å; V708-I751 HydrophobicContact CG2-CD1 3.56Å; V708-I751 HydrophobicContact CG2-CG1 3.41Å; V708-I751 VanDerWaalsContact CG2-CG1 3.41Å |
| 709 | L | 89.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 176.6 | -68.9 | -178.7 | 0 | 0 | 0 | 111.9 | E674 E678 F693 F705 T706 R712 A713 | E674-L709 HydrophobicContact CG-CD1 4.4Å; E678-L709 HydrophobicContact CB-CD1 4.18Å; F693-L709 HydrophobicContact CD1-CB 4.45Å; F693-L709 HydrophobicContact CE1-CB 3.78Å; F693-L709 HydrophobicContact CE1-CD1 3.85Å; F693-L709 HydrophobicContact CE2-CB 4Å; F693-L709 HydrophobicContact CZ-CB 3.53Å; F693-L709 HydrophobicContact CZ-CD1 4.07Å; F693-L709 HydrophobicContact CZ-CG 4.42Å; F705-L709 HydrophobicContact CD1-CD1 3.88Å; F705-L709 HydrophobicContact CD1-CG 4.34Å; F705-L709 HydrophobicContact CE1-CD1 3.43Å; F705-L709 VanDerWaalsContact CE1-CD1 3.43Å; F705-L709 HydrophobicContact CE1-CG 4.05Å; F705-L709 HydrophobicContact CZ-CD1 3.94Å; F705-L709 HydrophobicContact CZ-CD2 4.29Å; F705-L709 HydrophobicContact CZ-CG 4.19Å; F705-L709 PolarHBondContact O-N 3.35Å; T706-L709 PolarHBondContact O-N 3.32Å; L709-R712 WeakPolarHBondContact O-CB 3.43Å; L709-R712 PolarHBondContact O-N 3.31Å; L709-A713 PolarHBondContact O-N 3.47Å |
| 710 | C | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.2 | -162.6 | 0 | 0 | 0 | 0 | 111.2 | F693 T706 L707 R712 A713 Y714 | F693-C710 HydrophobicContact CB-CB 3.92Å; F693-C710 HydrophobicContact CD2-CB 3.97Å; F693-C710 HydrophobicContact CG-CB 4.17Å; T706-C710 VanDerWaalsContact O-CB 3.26Å; T706-C710 WeakPolarHBondContact O-CB 3.34Å; T706-C710 PolarHBondContact O-N 3.3Å; L707-C710 PolarHBondContact O-N 3.26Å; C710-R712 VanDerWaalsContact C-N 3.32Å; C710-R712 PolarHBondContact O-N 3.41Å; C710-A713 PolarHBondContact O-N 2.85Å; C710-Y714 WeakPolarHBondContact O-CD2 2.95Å; C710-Y714 PolarHBondContact O-N 3.09Å; C710-Y714 WeakPolarHBondContact SG-CE2 3.26Å |
| 711 | G | 88.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L707 V708 R715 S723 | L707-G711 PolarHBondContact O-N 3.24Å; V708-G711 PolarHBondContact O-N 3.08Å; G711-R715 WeakPolarHBondContact O-CB 3.25Å; G711-R715 PolarHBondContact O-N 3.24Å; G711-S723 WeakPolarHBondContact O-CB 3.4Å; G711-S723 PolarHBondContact O-OG 2.94Å |
| 712 | R | 88.8 | Confident | 86.1 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 173 | -77.5 | 178.9 | 165.8 | -174.8 | -7.1 | 112.7 | L681 V708 L709 C710 R715 H716 F727 E754 | L681-R712 HydrophobicContact CD1-CB 4.38Å; V708-R712 WeakPolarHBondContact O-CG 3.39Å; V708-R712 PolarHBondContact O-N 3.27Å; L709-R712 WeakPolarHBondContact O-CB 3.43Å; L709-R712 PolarHBondContact O-N 3.31Å; C710-R712 VanDerWaalsContact C-N 3.32Å; C710-R712 PolarHBondContact O-N 3.41Å; R712-R715 WeakPolarHBondContact O-CB 3.28Å; R712-R715 PolarHBondContact O-N 2.72Å; R712-H716 PolarHBondContact O-CD2 3.06Å; R712-H716 PolarHBondContact O-N 3.1Å; R712-F727 HydrophobicContact CG-CZ 4.14Å; R712-E754 IonicContact CZ-OE1 3.56Å; R712-E754 IonicContact NE-OE1 2.69Å; R712-E754 PolarHBondContact NE-OE1 3.28Å; R712-E754 VanDerWaalsContact NE-OE1 3.15Å; R712-E754 IonicContact NH2-OE1 3.54Å; R712-E754 PolarHBondContact NH2-OE1 2.74Å |
| 713 | A | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -51.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | L681 A689 V690 F693 L709 C710 R715 H716 M717 | L681-A713 HydrophobicContact CD1-CB 4.16Å; A689-A713 HydrophobicContact CB-CB 4.47Å; V690-A713 HydrophobicContact CG2-CB 3.83Å; F693-A713 HydrophobicContact CE2-CB 4.22Å; L709-A713 PolarHBondContact O-N 3.47Å; C710-A713 PolarHBondContact O-N 2.85Å; A713-R715 VanDerWaalsContact C-N 3.28Å; A713-R715 PolarHBondContact O-N 2.87Å; A713-H716 PolarHBondContact O-N 3.02Å; A713-H716 VanDerWaalsContact O-N 3.1Å; A713-M717 VanDerWaalsContact O-CG 3.31Å; A713-M717 WeakPolarHBondContact O-CG 3.49Å; A713-M717 PolarHBondContact O-N 2.99Å |
| 714 | Y | 89.9 | Confident | 86.5 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -38.6 | 175.6 | -77.6 | -58.6 | 0 | 0 | 0 | 113.1 | V690 C710 H716 M717 N718 D719 | V690-Y714 HydrophobicContact CG1-CE1 3.8Å; V690-Y714 HydrophobicContact CG1-CE2 4.03Å; V690-Y714 WeakPolarHBondContact CG1-OH 3.37Å; V690-Y714 HydrophobicContact CG2-CD1 4.11Å; V690-Y714 HydrophobicContact CG2-CD2 4.39Å; V690-Y714 HydrophobicContact CG2-CE1 3.96Å; V690-Y714 HydrophobicContact CG2-CE2 4.25Å; V690-Y714 HydrophobicContact CG2-CG 4.33Å; C710-Y714 WeakPolarHBondContact O-CD2 2.95Å; C710-Y714 PolarHBondContact O-N 3.09Å; C710-Y714 WeakPolarHBondContact SG-CE2 3.26Å; Y714-H716 PolarHBondContact O-N 2.89Å; Y714-M717 CarbonylContact O-C 3.58Å; Y714-M717 PolarHBondContact O-N 3.44Å; Y714-M717 VanDerWaalsContact O-N 3.14Å; Y714-N718 PolarHBondContact O-N 3.17Å; Y714-D719 HydrophobicContact CD1-CB 3.99Å; Y714-D719 PolarHBondContact O-N 3.34Å |
| 715 | R | 82.6 | Confident | 86.6 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.2 | -173.9 | -179.4 | 173.3 | -177 | 0.5 | 111.7 | G711 R712 A713 M717 N718 E754 E757 | G711-R715 WeakPolarHBondContact O-CB 3.25Å; G711-R715 PolarHBondContact O-N 3.24Å; R712-R715 WeakPolarHBondContact O-CB 3.28Å; R712-R715 PolarHBondContact O-N 2.72Å; A713-R715 VanDerWaalsContact C-N 3.28Å; A713-R715 PolarHBondContact O-N 2.87Å; R715-M717 VanDerWaalsContact C-N 3.26Å; R715-M717 PolarHBondContact O-N 3.13Å; R715-N718 PolarHBondContact O-N 2.89Å; R715-N718 VanDerWaalsContact O-N 3.08Å; R715-E754 IonicContact CZ-OE2 2.92Å; R715-E754 IonicContact NH1-OE2 2.91Å; R715-E754 PolarHBondContact NH1-OE2 3.12Å; R715-E757 IonicContact CZ-OE2 3.65Å; R715-E757 VanDerWaalsContact CZ-OE2 3.26Å; R715-E757 IonicContact NH1-OE2 2.76Å; R715-E757 PolarHBondContact NH1-OE2 3.46Å; R715-E757 IonicContact NH2-OE2 3.82Å; R715-E757 PolarHBondContact NH2-OE2 3.17Å |
| 716 | H | 82.5 | Confident | 86.7 | Confident | 112 Ų | 112 | 45 Ų | 45 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68 | -25 | 175.6 | -77.3 | -70.9 | 0 | 0 | 0 | 113.5 | Y686 R712 A713 Y714 N718 | Y686-H716 HydrophobicContact CD1-CB 3.73Å; Y686-H716 HydrophobicContact CD2-CB 4.15Å; Y686-H716 HydrophobicContact CE1-CB 3.48Å; Y686-H716 VanDerWaalsContact CE1-CB 3.48Å; Y686-H716 AromaticContact CE1-CG 3.77Å; Y686-H716 HydrophobicContact CE2-CB 3.92Å; Y686-H716 HydrophobicContact CG-CB 4.06Å; Y686-H716 AromaticContact CZ-CG 3.96Å; R712-H716 PolarHBondContact O-CD2 3.06Å; R712-H716 PolarHBondContact O-N 3.1Å; A713-H716 PolarHBondContact O-N 3.02Å; A713-H716 VanDerWaalsContact O-N 3.1Å; Y714-H716 PolarHBondContact O-N 2.89Å; H716-N718 PolarHBondContact O-N 3.29Å |
| 717 | M | 83.9 | Confident | 86.7 | Confident | 64 Ų | 64 | 45 Ų | 45 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.8 | 171.6 | -57.7 | -166.1 | 84.5 | 0 | 0 | 113.5 | Y686 E687 V690 A713 Y714 R715 D719 | Y686-M717 HydrophobicContact CD2-CG 4.25Å; Y686-M717 HydrophobicContact CG-CG 4.03Å; E687-M717 HydrophobicContact CB-CE 3.62Å; E687-M717 HydrophobicContact CB-SD 4.42Å; E687-M717 HydrophobicContact CG-CE 3.4Å; E687-M717 VanDerWaalsContact CG-CE 3.4Å; E687-M717 HydrophobicContact CG-SD 4.38Å; E687-M717 WeakPolarHBondContact OE1-CE 3.31Å; V690-M717 HydrophobicContact CG2-SD 4.39Å; A713-M717 VanDerWaalsContact O-CG 3.31Å; A713-M717 WeakPolarHBondContact O-CG 3.49Å; A713-M717 PolarHBondContact O-N 2.99Å; Y714-M717 CarbonylContact O-C 3.58Å; Y714-M717 PolarHBondContact O-N 3.44Å; Y714-M717 VanDerWaalsContact O-N 3.14Å; R715-M717 VanDerWaalsContact C-N 3.26Å; R715-M717 PolarHBondContact O-N 3.13Å; M717-D719 PolarHBondContact O-N 3.34Å |
| 718 | N | 78.8 | Confident | 86.6 | Confident | 133 Ų | 133 | 47.2 Ų | 47.2 | 71% | 0.711 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 16.6 | -169.1 | -68.1 | -27.4 | 0 | 0 | 0 | 114.5 | Y714 R715 H716 I720 | Y714-N718 PolarHBondContact O-N 3.17Å; R715-N718 PolarHBondContact O-N 2.89Å; R715-N718 VanDerWaalsContact O-N 3.08Å; H716-N718 PolarHBondContact O-N 3.29Å; N718-I720 PolarHBondContact O-N 2.99Å; N718-I720 VanDerWaalsContact O-N 3.1Å |
| 719 | D | 84.7 | Confident | 86.5 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | trans | -84.8 | 82.1 | 170.6 | -173.8 | -5.8 | 0 | 0 | 0 | 110.1 | Y714 M717 Y721 S722 S723 | Y714-D719 HydrophobicContact CD1-CB 3.99Å; Y714-D719 PolarHBondContact O-N 3.34Å; M717-D719 PolarHBondContact O-N 3.34Å; D719-Y721 VanDerWaalsContact C-N 3.31Å; D719-Y721 PolarHBondContact O-N 3.49Å; D719-Y721 PolarHBondContact OD1-N 2.84Å; D719-S722 VanDerWaalsContact CG-CB 3.5Å; D719-S722 VanDerWaalsContact CG-OG 3.23Å; D719-S722 PolarHBondContact OD1-N 3.39Å; D719-S722 VanDerWaalsContact OD1-N 3.12Å; D719-S722 PolarHBondContact OD1-OG 3.41Å; D719-S722 WeakPolarHBondContact OD2-CB 3.46Å; D719-S722 PolarHBondContact OD2-OG 3.27Å; D719-S723 WeakPolarHBondContact O-CB 3.19Å; D719-S723 PolarHBondContact O-N 2.93Å; D719-S723 VanDerWaalsContact O-N 3.09Å | ||
| 720 | I | 82 | Confident | 86.4 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -34.9 | -176.3 | -63.6 | 166.3 | 0 | 0 | 0 | 111.8 | N718 L724 I758 F761 K762 | N718-I720 PolarHBondContact O-N 2.99Å; N718-I720 VanDerWaalsContact O-N 3.1Å; I720-L724 HydrophobicContact CG2-CD1 4.24Å; I720-L724 HydrophobicContact CG2-CG 4.45Å; I720-L724 WeakPolarHBondContact O-CB 3.36Å; I720-L724 WeakPolarHBondContact O-CG 3.45Å; I720-L724 PolarHBondContact O-N 3.19Å; I720-I758 HydrophobicContact CG2-CG2 3.52Å; I720-F761 HydrophobicContact CD1-CD1 3.73Å; I720-F761 HydrophobicContact CD1-CE1 3.6Å; I720-K762 HydrophobicContact CG2-CD 3.6Å; I720-K762 HydrophobicContact CG2-CG 3.73Å |
| 721 | Y | 83.9 | Confident | 86.1 | Confident | 192 Ų | 192 | 50 Ų | 50 | 75% | 0.753 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -70.4 | -48.8 | -175.2 | -178.3 | -94.4 | 0 | 0 | 0 | 111.1 | D719 S723 L724 C725 | D719-Y721 VanDerWaalsContact C-N 3.31Å; D719-Y721 PolarHBondContact O-N 3.49Å; D719-Y721 PolarHBondContact OD1-N 2.84Å; Y721-S723 VanDerWaalsContact C-N 3.29Å; Y721-S723 PolarHBondContact O-N 3.39Å; Y721-L724 PolarHBondContact O-N 2.92Å; Y721-C725 PolarHBondContact O-N 2.97Å |
| 722 | S | 86.9 | Confident | 85.8 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | D719 C725 C726 | D719-S722 VanDerWaalsContact CG-CB 3.5Å; D719-S722 VanDerWaalsContact CG-OG 3.23Å; D719-S722 PolarHBondContact OD1-N 3.39Å; D719-S722 VanDerWaalsContact OD1-N 3.12Å; D719-S722 PolarHBondContact OD1-OG 3.41Å; D719-S722 WeakPolarHBondContact OD2-CB 3.46Å; D719-S722 PolarHBondContact OD2-OG 3.27Å; S722-C725 WeakPolarHBondContact O-CB 3.45Å; S722-C725 PolarHBondContact O-N 3.09Å; S722-C726 PolarHBondContact O-N 2.89Å; S722-C726 PolarHBondContact O-SG 2.93Å |
| 723 | S | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | G711 D719 Y721 C725 C726 F727 I758 | G711-S723 WeakPolarHBondContact O-CB 3.4Å; G711-S723 PolarHBondContact O-OG 2.94Å; D719-S723 WeakPolarHBondContact O-CB 3.19Å; D719-S723 PolarHBondContact O-N 2.93Å; D719-S723 VanDerWaalsContact O-N 3.09Å; Y721-S723 VanDerWaalsContact C-N 3.29Å; Y721-S723 PolarHBondContact O-N 3.39Å; S723-C725 VanDerWaalsContact C-N 3.34Å; S723-C725 PolarHBondContact O-N 3.19Å; S723-C726 PolarHBondContact O-N 3.17Å; S723-F727 WeakPolarHBondContact O-CD2 3.43Å; S723-F727 PolarHBondContact O-N 2.71Å; S723-F727 WeakPolarHBondContact OG-CE2 3.4Å; S723-I758 WeakPolarHBondContact OG-CD1 3.41Å |
| 724 | L | 87.9 | Confident | 84.9 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.6 | -77.8 | 175.9 | 0 | 0 | 0 | 112.6 | I720 Y721 F727 N728 L755 I758 K762 | I720-L724 HydrophobicContact CG2-CD1 4.24Å; I720-L724 HydrophobicContact CG2-CG 4.45Å; I720-L724 WeakPolarHBondContact O-CB 3.36Å; I720-L724 WeakPolarHBondContact O-CG 3.45Å; I720-L724 PolarHBondContact O-N 3.19Å; Y721-L724 PolarHBondContact O-N 2.92Å; L724-F727 PolarHBondContact O-N 3.42Å; L724-N728 VanDerWaalsContact O-CB 3.25Å; L724-N728 WeakPolarHBondContact O-CB 2.95Å; L724-N728 VanDerWaalsContact O-CG 3.25Å; L724-N728 PolarHBondContact O-N 3.2Å; L724-N728 PolarHBondContact O-ND2 3.25Å; L724-N728 VanDerWaalsContact O-ND2 3.1Å; L724-L755 HydrophobicContact CD2-CD2 3.69Å; L724-I758 HydrophobicContact CD1-CG2 4.12Å; L724-I758 HydrophobicContact CD2-CB 4.09Å; L724-I758 HydrophobicContact CD2-CD1 4.42Å; L724-I758 HydrophobicContact CD2-CG2 3.54Å; L724-I758 HydrophobicContact CG-CG2 3.7Å; L724-K762 HydrophobicContact CD1-CD 3.73Å |
| 725 | C | 87.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 111 | Y721 S722 S723 N728 N729 | Y721-C725 PolarHBondContact O-N 2.97Å; S722-C725 WeakPolarHBondContact O-CB 3.45Å; S722-C725 PolarHBondContact O-N 3.09Å; S723-C725 VanDerWaalsContact C-N 3.34Å; S723-C725 PolarHBondContact O-N 3.19Å; C725-N728 PolarHBondContact O-N 3.31Å; C725-N729 WeakPolarHBondContact O-CB 3.49Å; C725-N729 PolarHBondContact O-N 3.04Å; C725-N729 PolarHBondContact O-ND2 3.42Å |
| 726 | C | 87.6 | Confident | 83.8 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 10% | 0.095 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 178 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | L707 S722 S723 N729 A730 | L707-C726 WeakPolarHBondContact O-CB 3.48Å; S722-C726 PolarHBondContact O-N 2.89Å; S722-C726 PolarHBondContact O-SG 2.93Å; S723-C726 PolarHBondContact O-N 3.17Å; C726-N729 PolarHBondContact O-N 2.85Å; C726-A730 WeakPolarHBondContact O-CB 2.96Å; C726-A730 PolarHBondContact O-N 3.07Å |
| 727 | F | 88.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 179.2 | -71.5 | -52.8 | 0 | 0 | 0 | 113 | V708 R712 S723 L724 A730 L731 I751 E754 L755 I758 | V708-F727 HydrophobicContact CG1-CE1 4.23Å; R712-F727 HydrophobicContact CG-CZ 4.14Å; S723-F727 WeakPolarHBondContact O-CD2 3.43Å; S723-F727 PolarHBondContact O-N 2.71Å; S723-F727 WeakPolarHBondContact OG-CE2 3.4Å; L724-F727 PolarHBondContact O-N 3.42Å; F727-A730 PolarHBondContact O-N 3.41Å; F727-L731 WeakPolarHBondContact O-CB 3.29Å; F727-L731 PolarHBondContact O-N 2.81Å; F727-I751 HydrophobicContact CB-CG2 4.26Å; F727-I751 HydrophobicContact CD1-CG2 4.36Å; F727-E754 HydrophobicContact CD1-CB 4.42Å; F727-E754 HydrophobicContact CD2-CB 4.48Å; F727-E754 HydrophobicContact CE1-CB 3.96Å; F727-E754 HydrophobicContact CE1-CG 4.2Å; F727-E754 HydrophobicContact CE2-CB 4.02Å; F727-E754 HydrophobicContact CZ-CB 3.74Å; F727-E754 HydrophobicContact CZ-CG 4.11Å; F727-L755 HydrophobicContact CB-CD1 4.35Å; F727-L755 HydrophobicContact CB-CD2 3.41Å; F727-L755 VanDerWaalsContact CB-CD2 3.41Å; F727-L755 HydrophobicContact CB-CG 3.76Å; F727-L755 HydrophobicContact CD2-CD2 4.44Å; F727-L755 HydrophobicContact CG-CD2 4.28Å; F727-L755 HydrophobicContact CG-CG 4.46Å; F727-I758 HydrophobicContact CD2-CD1 3.6Å; F727-I758 HydrophobicContact CE2-CD1 3.51Å |
| 728 | N | 87.8 | Confident | 81.6 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 176.1 | -76.5 | -34.9 | 0 | 0 | 0 | 112.1 | L724 C725 L731 K732 | L724-N728 VanDerWaalsContact O-CB 3.25Å; L724-N728 WeakPolarHBondContact O-CB 2.95Å; L724-N728 VanDerWaalsContact O-CG 3.25Å; L724-N728 PolarHBondContact O-N 3.2Å; L724-N728 PolarHBondContact O-ND2 3.25Å; L724-N728 VanDerWaalsContact O-ND2 3.1Å; C725-N728 PolarHBondContact O-N 3.31Å; N728-L731 PolarHBondContact O-N 3.26Å; N728-K732 WeakPolarHBondContact O-CG 3.2Å; N728-K732 PolarHBondContact O-N 2.74Å |
| 729 | N | 87.2 | Confident | 80.3 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 174.4 | -69.9 | -12 | 0 | 0 | 0 | 111.1 | L707 C725 C726 L731 K732 M733 | L707-N729 HydrophobicContact CD1-CB 4.06Å; C725-N729 WeakPolarHBondContact O-CB 3.49Å; C725-N729 PolarHBondContact O-N 3.04Å; C725-N729 PolarHBondContact O-ND2 3.42Å; C726-N729 PolarHBondContact O-N 2.85Å; N729-L731 VanDerWaalsContact C-N 3.31Å; N729-L731 PolarHBondContact O-N 3.32Å; N729-K732 PolarHBondContact O-N 3.29Å; N729-M733 WeakPolarHBondContact O-CG 3.49Å; N729-M733 PolarHBondContact O-N 2.9Å |
| 730 | A | 86.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L707 V708 C726 F727 M733 I734 I751 | L707-A730 HydrophobicContact CB-CB 3.78Å; L707-A730 HydrophobicContact CD1-CB 4.24Å; V708-A730 HydrophobicContact CG2-CB 4.06Å; C726-A730 WeakPolarHBondContact O-CB 2.96Å; C726-A730 PolarHBondContact O-N 3.07Å; F727-A730 PolarHBondContact O-N 3.41Å; A730-M733 PolarHBondContact O-N 3.41Å; A730-I734 VanDerWaalsContact O-CG1 3.32Å; A730-I734 WeakPolarHBondContact O-CG1 3.2Å; A730-I734 PolarHBondContact O-N 3.16Å; A730-I751 HydrophobicContact CB-CD1 3.91Å |
| 731 | L | 85.1 | Confident | 77.3 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 176.4 | -166.6 | 93.8 | 0 | 0 | 0 | 111 | F727 N728 N729 M733 I734 E735 Y748 I751 M752 L755 | F727-L731 WeakPolarHBondContact O-CB 3.29Å; F727-L731 PolarHBondContact O-N 2.81Å; N728-L731 PolarHBondContact O-N 3.26Å; N729-L731 VanDerWaalsContact C-N 3.31Å; N729-L731 PolarHBondContact O-N 3.32Å; L731-M733 VanDerWaalsContact C-N 3.33Å; L731-M733 PolarHBondContact O-N 2.96Å; L731-I734 PolarHBondContact O-N 3.16Å; L731-E735 HydrophobicContact CG-CG 4.45Å; L731-E735 WeakPolarHBondContact O-CB 3.16Å; L731-E735 WeakPolarHBondContact O-CG 3.36Å; L731-E735 PolarHBondContact O-N 3.24Å; L731-Y748 HydrophobicContact CD1-CD2 4.09Å; L731-Y748 HydrophobicContact CD1-CE2 3.61Å; L731-Y748 HydrophobicContact CG-CE2 4.2Å; L731-I751 HydrophobicContact CB-CG2 4.2Å; L731-I751 HydrophobicContact CD1-CG2 3.87Å; L731-M752 HydrophobicContact CD1-CG 3.88Å; L731-M752 HydrophobicContact CD1-SD 3.42Å; L731-M752 WeakPolarHBondContact CD1-SD 3.31Å; L731-M752 HydrophobicContact CD2-SD 4.39Å; L731-L755 HydrophobicContact CD1-CD1 4.37Å |
| 732 | K | 83 | Confident | 76.3 | Confident | 117 Ų | 117 | 69.6 Ų | 69.6 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.3 | -45 | 177 | -74.9 | 173.9 | -178.2 | 177.5 | 0 | 111.6 | N728 N729 I734 E735 D736 | N728-K732 WeakPolarHBondContact O-CG 3.2Å; N728-K732 PolarHBondContact O-N 2.74Å; N729-K732 PolarHBondContact O-N 3.29Å; K732-I734 VanDerWaalsContact C-N 3.32Å; K732-I734 PolarHBondContact O-N 2.94Å; K732-E735 PolarHBondContact O-N 3.26Å; K732-D736 VanDerWaalsContact O-CB 3.31Å; K732-D736 WeakPolarHBondContact O-CB 3.33Å; K732-D736 PolarHBondContact O-N 3.1Å |
| 733 | M | 81 | Confident | 75.3 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.9 | -73.4 | -179 | 178.2 | 0 | 0 | 113.1 | P701 L707 N729 A730 L731 N737 | P701-M733 WeakPolarHBondContact O-CE 3.49Å; L707-M733 HydrophobicContact CD1-CE 3.95Å; L707-M733 HydrophobicContact CD1-SD 3.47Å; L707-M733 WeakPolarHBondContact CD1-SD 3.41Å; N729-M733 WeakPolarHBondContact O-CG 3.49Å; N729-M733 PolarHBondContact O-N 2.9Å; A730-M733 PolarHBondContact O-N 3.41Å; L731-M733 VanDerWaalsContact C-N 3.33Å; L731-M733 PolarHBondContact O-N 2.96Å; M733-N737 WeakPolarHBondContact O-CB 3.4Å; M733-N737 PolarHBondContact O-N 3.35Å; M733-N737 PolarHBondContact O-ND2 3.04Å |
| 734 | I | 77.7 | Confident | 74.5 | Confident | 20 Ų | 20 | 78.7 Ų | 78.7 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.5 | -33.6 | 176.3 | -65.1 | 166.8 | 0 | 0 | 0 | 111.3 | P704 A730 L731 K732 Y744 F747 Y748 I751 | P704-I734 HydrophobicContact CB-CD1 4.14Å; P704-I734 HydrophobicContact CB-CG1 3.93Å; P704-I734 HydrophobicContact CG-CG1 4.47Å; A730-I734 VanDerWaalsContact O-CG1 3.32Å; A730-I734 WeakPolarHBondContact O-CG1 3.2Å; A730-I734 PolarHBondContact O-N 3.16Å; L731-I734 PolarHBondContact O-N 3.16Å; K732-I734 VanDerWaalsContact C-N 3.32Å; K732-I734 PolarHBondContact O-N 2.94Å; I734-Y744 HydrophobicContact CG1-CD1 4.47Å; I734-F747 HydrophobicContact CD1-CB 4.41Å; I734-Y748 HydrophobicContact CG2-CD2 3.98Å; I734-I751 HydrophobicContact CD1-CD1 3.21Å |
| 735 | E | 76.5 | Confident | 73.6 | Confident | 82 Ų | 82 | 84 Ų | 84 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.7 | -37.8 | 174.8 | -72.4 | -178.3 | 169.1 | 0 | 0 | 111.9 | L731 K732 Y748 | L731-E735 HydrophobicContact CG-CG 4.45Å; L731-E735 WeakPolarHBondContact O-CB 3.16Å; L731-E735 WeakPolarHBondContact O-CG 3.36Å; L731-E735 PolarHBondContact O-N 3.24Å; K732-E735 PolarHBondContact O-N 3.26Å; E735-Y748 HydrophobicContact CG-CE2 4.01Å; E735-Y748 PolarHBondContact OE1-OH 3.48Å |
| 736 | D | 73.7 | Confident | 72.8 | Confident | 112 Ų | 112 | 88 Ų | 88 | 60% | 0.599 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -74 | -34.8 | 178.9 | -70 | -22.6 | 0 | 0 | 0 | 112.3 | K732 Y738 | K732-D736 VanDerWaalsContact O-CB 3.31Å; K732-D736 WeakPolarHBondContact O-CB 3.33Å; K732-D736 PolarHBondContact O-N 3.1Å; D736-Y738 WeakPolarHBondContact O-CD2 3.26Å; D736-Y738 PolarHBondContact O-N 3.34Å |
| 737 | N | 66 | Low | 72.2 | Confident | 82 Ų | 82 | 90.5 Ų | 90.5 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -78 | 73 | 171.9 | -72.3 | -30 | 0 | 0 | 0 | 109.8 | M733 | M733-N737 WeakPolarHBondContact O-CB 3.4Å; M733-N737 PolarHBondContact O-N 3.35Å; M733-N737 PolarHBondContact O-ND2 3.04Å |
| 738 | Y | 52.3 | Low | 71.9 | Confident | 199 Ų | 199 | 90.9 Ų | 90.9 | 78% | 0.78 | 42% | 0.416 | S | S | * | . | trans | -28.8 | 129.5 | 177 | -76.9 | -96.9 | 0 | 0 | 0 | 115.3 | D736 | D736-Y738 WeakPolarHBondContact O-CD2 3.26Å; D736-Y738 PolarHBondContact O-N 3.34Å | ||
| 739 | M | 51.4 | Low | 71.6 | Confident | 157 Ų | 157 | 90 Ų | 90 | 77% | 0.773 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 65.3 | 97 | 153.4 | -63.4 | -78.2 | -92.5 | 0 | 0 | 118.9 | ||
| 740 | I | 47.1 | Very low | 71.3 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 56% | 0.564 | 41% | 0.408 | S | S | * | . | trans | 60.2 | 74.9 | 133.5 | -49.4 | 163.3 | 0 | 0 | 0 | 116.3 | ||||
| 741 | D | 58.3 | Low | 71.3 | Confident | 88 Ų | 88 | 89.2 Ų | 89.2 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | trans | -101.7 | 148.4 | 143.2 | -153.4 | -11.7 | 0 | 0 | 0 | 110.1 | L743 Y744 R745 | D741-L743 PolarHBondContact O-N 3.31Å; D741-Y744 HydrophobicContact CB-CD2 3.71Å; D741-Y744 HydrophobicContact CB-CE2 4.39Å; D741-Y744 PolarHBondContact O-N 3.32Å; D741-R745 PolarHBondContact O-N 2.81Å; D741-R745 VanDerWaalsContact O-N 3.17Å | ||
| 742 | R | 63.2 | Low | 71.3 | Confident | 200 Ų | 200 | 88.9 Ų | 88.9 | 76% | 0.755 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.3 | -30.5 | -178.6 | -170.3 | 179.1 | -178.2 | -172.3 | 0.5 | 111.5 | ||
| 743 | L | 63.9 | Low | 71.4 | Confident | 109 Ų | 109 | 86.4 Ų | 86.4 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.9 | -51.9 | 176.3 | -72.2 | 165.6 | 0 | 0 | 0 | 111.6 | D741 R745 K746 F747 | D741-L743 PolarHBondContact O-N 3.31Å; L743-R745 VanDerWaalsContact C-N 3.28Å; L743-R745 PolarHBondContact O-N 3.32Å; L743-K746 PolarHBondContact O-N 2.94Å; L743-K746 VanDerWaalsContact O-N 3.08Å; L743-F747 VanDerWaalsContact O-CD2 3.23Å; L743-F747 WeakPolarHBondContact O-CD2 3.47Å; L743-F747 PolarHBondContact O-N 3.39Å |
| 744 | Y | 71.1 | Confident | 71.6 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 43% | 0.431 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -32.8 | 179.1 | -70.2 | -71 | 0 | 0 | 0 | 113 | P704 I734 D741 K746 F747 Y748 | P704-Y744 HydrophobicContact CG-CE1 4.05Å; I734-Y744 HydrophobicContact CG1-CD1 4.47Å; D741-Y744 HydrophobicContact CB-CD2 3.71Å; D741-Y744 HydrophobicContact CB-CE2 4.39Å; D741-Y744 PolarHBondContact O-N 3.32Å; Y744-K746 VanDerWaalsContact C-N 3.33Å; Y744-K746 PolarHBondContact O-N 3.12Å; Y744-F747 PolarHBondContact O-N 2.86Å; Y744-Y748 WeakPolarHBondContact O-CB 3.32Å; Y744-Y748 PolarHBondContact O-N 3.04Å |
| 745 | R | 70.2 | Confident | 72.1 | Confident | 127 Ų | 127 | 83.9 Ų | 83.9 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 173 | -76.2 | -173.3 | -179.5 | -172 | 2.4 | 112.7 | D741 L743 V749 | D741-R745 PolarHBondContact O-N 2.81Å; D741-R745 VanDerWaalsContact O-N 3.17Å; L743-R745 VanDerWaalsContact C-N 3.28Å; L743-R745 PolarHBondContact O-N 3.32Å; R745-V749 WeakPolarHBondContact O-CG2 3.42Å; R745-V749 PolarHBondContact O-N 2.55Å |
| 746 | K | 71.4 | Confident | 72.6 | Confident | 144 Ų | 144 | 80 Ų | 80 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 176.5 | -69.8 | -177.6 | 178.3 | -178.3 | 0 | 111.1 | L743 Y744 V749 L750 | L743-K746 PolarHBondContact O-N 2.94Å; L743-K746 VanDerWaalsContact O-N 3.08Å; Y744-K746 VanDerWaalsContact C-N 3.33Å; Y744-K746 PolarHBondContact O-N 3.12Å; K746-V749 PolarHBondContact O-N 3.33Å; K746-L750 WeakPolarHBondContact O-CB 3.41Å; K746-L750 PolarHBondContact O-N 2.72Å |
| 747 | F | 75.3 | Confident | 73.2 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.6 | -73.4 | -65.4 | 0 | 0 | 0 | 112.9 | F705 I734 L743 Y744 V749 L750 I751 | F705-F747 HydrophobicContact CD2-CD1 4.3Å; F705-F747 AromaticContact CD2-CE1 3.44Å; F705-F747 HydrophobicContact CD2-CE1 3.44Å; F705-F747 VanDerWaalsContact CD2-CE1 3.44Å; F705-F747 AromaticContact CD2-CZ 3.76Å; F705-F747 HydrophobicContact CD2-CZ 3.76Å; F705-F747 AromaticContact CE2-CE1 3.68Å; F705-F747 HydrophobicContact CE2-CE1 3.68Å; F705-F747 HydrophobicContact CE2-CZ 4.02Å; I734-F747 HydrophobicContact CD1-CB 4.41Å; L743-F747 VanDerWaalsContact O-CD2 3.23Å; L743-F747 WeakPolarHBondContact O-CD2 3.47Å; L743-F747 PolarHBondContact O-N 3.39Å; Y744-F747 PolarHBondContact O-N 2.86Å; F747-V749 PolarHBondContact O-N 3.4Å; F747-L750 WeakPolarHBondContact O-CB 3.45Å; F747-L750 PolarHBondContact O-N 3Å; F747-I751 WeakPolarHBondContact O-CG1 3.3Å; F747-I751 PolarHBondContact O-N 3.46Å |
| 748 | Y | 81.7 | Confident | 74.1 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.9 | -174.6 | -87.9 | 0 | 0 | 0 | 111.7 | L731 I734 E735 Y744 L750 I751 M752 Y792 | L731-Y748 HydrophobicContact CD1-CD2 4.09Å; L731-Y748 HydrophobicContact CD1-CE2 3.61Å; L731-Y748 HydrophobicContact CG-CE2 4.2Å; I734-Y748 HydrophobicContact CG2-CD2 3.98Å; E735-Y748 HydrophobicContact CG-CE2 4.01Å; E735-Y748 PolarHBondContact OE1-OH 3.48Å; Y744-Y748 WeakPolarHBondContact O-CB 3.32Å; Y744-Y748 PolarHBondContact O-N 3.04Å; Y748-L750 VanDerWaalsContact C-N 3.26Å; Y748-L750 PolarHBondContact O-N 2.71Å; Y748-I751 PolarHBondContact O-N 2.83Å; Y748-M752 HydrophobicContact CD1-CG 3.91Å; Y748-M752 HydrophobicContact CE1-CG 3.49Å; Y748-M752 VanDerWaalsContact CE1-CG 3.49Å; Y748-M752 HydrophobicContact CE1-SD 4.32Å; Y748-M752 WeakPolarHBondContact O-CB 3.44Å; Y748-M752 VanDerWaalsContact O-CG 3.32Å; Y748-M752 WeakPolarHBondContact O-CG 3.37Å; Y748-M752 PolarHBondContact O-N 3.33Å; Y748-Y792 HydrophobicContact CD1-CD1 4.32Å; Y748-Y792 AromaticContact CD1-CD2 3.96Å; Y748-Y792 HydrophobicContact CD1-CD2 3.96Å; Y748-Y792 AromaticContact CD1-CE1 3.97Å; Y748-Y792 HydrophobicContact CD1-CE1 3.97Å; Y748-Y792 AromaticContact CD1-CE2 3.6Å; Y748-Y792 HydrophobicContact CD1-CE2 3.6Å; Y748-Y792 HydrophobicContact CD1-CG 4.3Å; Y748-Y792 AromaticContact CD1-CZ 3.58Å; Y748-Y792 AromaticContact CE1-CD2 3.5Å; Y748-Y792 HydrophobicContact CE1-CD2 3.5Å; Y748-Y792 VanDerWaalsContact CE1-CD2 3.5Å; Y748-Y792 HydrophobicContact CE1-CE1 4.23Å; Y748-Y792 AromaticContact CE1-CE2 3Å; Y748-Y792 HydrophobicContact CE1-CE2 3Å; Y748-Y792 HydrophobicContact CE1-CG 4.29Å; Y748-Y792 AromaticContact CE1-CZ 3.41Å; Y748-Y792 VanDerWaalsContact CE1-CZ 3.41Å; Y748-Y792 HydrophobicContact CE2-CE2 4.27Å; Y748-Y792 HydrophobicContact CG-CE1 4.35Å; Y748-Y792 HydrophobicContact CG-CE2 4.44Å; Y748-Y792 AromaticContact CZ-CE2 3.4Å; Y748-Y792 AromaticContact CZ-CZ 3.68Å |
| 749 | V | 80.3 | Confident | 75.8 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | R745 K746 F747 K753 W802 | R745-V749 WeakPolarHBondContact O-CG2 3.42Å; R745-V749 PolarHBondContact O-N 2.55Å; K746-V749 PolarHBondContact O-N 3.33Å; F747-V749 PolarHBondContact O-N 3.4Å; V749-K753 WeakPolarHBondContact O-CB 3.45Å; V749-K753 PolarHBondContact O-N 3.42Å; V749-W802 HydrophobicContact CG1-CH2 4.4Å; V749-W802 HydrophobicContact CG1-CZ2 3.88Å |
| 750 | L | 82.4 | Confident | 77.4 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 176.3 | -168.2 | 68.6 | 0 | 0 | 0 | 111.7 | K746 F747 Y748 M752 K753 E754 | K746-L750 WeakPolarHBondContact O-CB 3.41Å; K746-L750 PolarHBondContact O-N 2.72Å; F747-L750 WeakPolarHBondContact O-CB 3.45Å; F747-L750 PolarHBondContact O-N 3Å; Y748-L750 VanDerWaalsContact C-N 3.26Å; Y748-L750 PolarHBondContact O-N 2.71Å; L750-M752 PolarHBondContact O-N 2.95Å; L750-K753 WeakPolarHBondContact O-CB 3.32Å; L750-K753 PolarHBondContact O-N 3.33Å; L750-E754 WeakPolarHBondContact O-CG 3.42Å; L750-E754 PolarHBondContact O-N 3.43Å |
| 751 | I | 85.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 178.5 | -69.4 | 159.7 | 0 | 0 | 0 | 111.1 | V708 F727 A730 L731 I734 F747 Y748 K753 E754 L755 | V708-I751 HydrophobicContact CG2-CD1 3.56Å; V708-I751 HydrophobicContact CG2-CG1 3.41Å; V708-I751 VanDerWaalsContact CG2-CG1 3.41Å; F727-I751 HydrophobicContact CB-CG2 4.26Å; F727-I751 HydrophobicContact CD1-CG2 4.36Å; A730-I751 HydrophobicContact CB-CD1 3.91Å; L731-I751 HydrophobicContact CB-CG2 4.2Å; L731-I751 HydrophobicContact CD1-CG2 3.87Å; I734-I751 HydrophobicContact CD1-CD1 3.21Å; F747-I751 WeakPolarHBondContact O-CG1 3.3Å; F747-I751 PolarHBondContact O-N 3.46Å; Y748-I751 PolarHBondContact O-N 2.83Å; I751-K753 VanDerWaalsContact C-N 3.3Å; I751-K753 PolarHBondContact O-N 3.01Å; I751-E754 PolarHBondContact O-N 3.48Å; I751-L755 HydrophobicContact CG2-CD1 3.92Å; I751-L755 HydrophobicContact CG2-CG 4.33Å; I751-L755 WeakPolarHBondContact O-CB 3.48Å; I751-L755 WeakPolarHBondContact O-CG 3.43Å; I751-L755 PolarHBondContact O-N 3.25Å |
| 752 | M | 85.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 179.3 | -72 | -66.6 | -76.5 | 0 | 0 | 111.8 | L731 Y748 L750 L755 V756 L785 K788 L789 | L731-M752 HydrophobicContact CD1-CG 3.88Å; L731-M752 HydrophobicContact CD1-SD 3.42Å; L731-M752 WeakPolarHBondContact CD1-SD 3.31Å; L731-M752 HydrophobicContact CD2-SD 4.39Å; Y748-M752 HydrophobicContact CD1-CG 3.91Å; Y748-M752 HydrophobicContact CE1-CG 3.49Å; Y748-M752 VanDerWaalsContact CE1-CG 3.49Å; Y748-M752 HydrophobicContact CE1-SD 4.32Å; Y748-M752 WeakPolarHBondContact O-CB 3.44Å; Y748-M752 VanDerWaalsContact O-CG 3.32Å; Y748-M752 WeakPolarHBondContact O-CG 3.37Å; Y748-M752 PolarHBondContact O-N 3.33Å; L750-M752 PolarHBondContact O-N 2.95Å; M752-L755 PolarHBondContact O-N 2.82Å; M752-L755 HydrophobicContact SD-CD1 4.43Å; M752-V756 WeakPolarHBondContact O-CB 3.07Å; M752-V756 VanDerWaalsContact O-CG2 3.24Å; M752-V756 WeakPolarHBondContact O-CG2 3.33Å; M752-V756 PolarHBondContact O-N 3.42Å; M752-L785 HydrophobicContact CE-CB 3.91Å; M752-L785 HydrophobicContact CE-CD2 3.71Å; M752-L785 HydrophobicContact CE-CG 4.42Å; M752-L785 WeakPolarHBondContact CE-O 3Å; M752-L785 HydrophobicContact SD-CD2 3.92Å; M752-K788 HydrophobicContact CE-CB 3.91Å; M752-L789 HydrophobicContact CB-CD1 3.94Å; M752-L789 HydrophobicContact CB-CD2 3.67Å; M752-L789 HydrophobicContact CB-CG 3.84Å; M752-L789 HydrophobicContact CE-CD1 4.46Å; M752-L789 HydrophobicContact CE-CG 3.87Å; M752-L789 HydrophobicContact CG-CD2 4.08Å; M752-L789 HydrophobicContact CG-CG 4.26Å |
| 753 | K | 85.4 | Confident | 81.2 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.7 | -177.8 | -169.7 | 167.4 | -167.3 | 0 | 111.2 | V749 L750 I751 V756 E757 W802 Y806 | V749-K753 WeakPolarHBondContact O-CB 3.45Å; V749-K753 PolarHBondContact O-N 3.42Å; L750-K753 WeakPolarHBondContact O-CB 3.32Å; L750-K753 PolarHBondContact O-N 3.33Å; I751-K753 VanDerWaalsContact C-N 3.3Å; I751-K753 PolarHBondContact O-N 3.01Å; K753-V756 PolarHBondContact O-N 3.15Å; K753-E757 WeakPolarHBondContact CE-OE1 3.37Å; K753-E757 IonicContact NZ-OE1 3.59Å; K753-E757 WeakPolarHBondContact O-CG 3.44Å; K753-E757 PolarHBondContact O-N 3.28Å; K753-W802 HydrophobicContact CB-CH2 4.41Å; K753-Y806 HydrophobicContact CG-CE2 4.3Å |
| 754 | E | 85.7 | Confident | 81.8 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.8 | -60.5 | -83.3 | 176.4 | 0 | 0 | 111.3 | R712 R715 F727 L750 I751 E757 I758 | R712-E754 IonicContact CZ-OE1 3.56Å; R712-E754 IonicContact NE-OE1 2.69Å; R712-E754 PolarHBondContact NE-OE1 3.28Å; R712-E754 VanDerWaalsContact NE-OE1 3.15Å; R712-E754 IonicContact NH2-OE1 3.54Å; R712-E754 PolarHBondContact NH2-OE1 2.74Å; R715-E754 IonicContact CZ-OE2 2.92Å; R715-E754 IonicContact NH1-OE2 2.91Å; R715-E754 PolarHBondContact NH1-OE2 3.12Å; F727-E754 HydrophobicContact CD1-CB 4.42Å; F727-E754 HydrophobicContact CD2-CB 4.48Å; F727-E754 HydrophobicContact CE1-CB 3.96Å; F727-E754 HydrophobicContact CE1-CG 4.2Å; F727-E754 HydrophobicContact CE2-CB 4.02Å; F727-E754 HydrophobicContact CZ-CB 3.74Å; F727-E754 HydrophobicContact CZ-CG 4.11Å; L750-E754 WeakPolarHBondContact O-CG 3.42Å; L750-E754 PolarHBondContact O-N 3.43Å; I751-E754 PolarHBondContact O-N 3.48Å; E754-E757 PolarHBondContact O-N 3.15Å; E754-I758 WeakPolarHBondContact O-CD1 3.37Å; E754-I758 VanDerWaalsContact O-CG1 3.26Å; E754-I758 WeakPolarHBondContact O-CG1 3.26Å; E754-I758 PolarHBondContact O-N 3.43Å |
| 755 | L | 87.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 175 | -76.3 | 173.3 | 0 | 0 | 0 | 112.3 | L724 F727 L731 I751 M752 I758 H759 L785 | L724-L755 HydrophobicContact CD2-CD2 3.69Å; F727-L755 HydrophobicContact CB-CD1 4.35Å; F727-L755 HydrophobicContact CB-CD2 3.41Å; F727-L755 VanDerWaalsContact CB-CD2 3.41Å; F727-L755 HydrophobicContact CB-CG 3.76Å; F727-L755 HydrophobicContact CD2-CD2 4.44Å; F727-L755 HydrophobicContact CG-CD2 4.28Å; F727-L755 HydrophobicContact CG-CG 4.46Å; L731-L755 HydrophobicContact CD1-CD1 4.37Å; I751-L755 HydrophobicContact CG2-CD1 3.92Å; I751-L755 HydrophobicContact CG2-CG 4.33Å; I751-L755 WeakPolarHBondContact O-CB 3.48Å; I751-L755 WeakPolarHBondContact O-CG 3.43Å; I751-L755 PolarHBondContact O-N 3.25Å; M752-L755 PolarHBondContact O-N 2.82Å; M752-L755 HydrophobicContact SD-CD1 4.43Å; L755-I758 PolarHBondContact O-N 3.16Å; L755-H759 PolarHBondContact O-CD2 3.38Å; L755-H759 PolarHBondContact O-N 3.49Å; L755-L785 HydrophobicContact CB-CD1 3.98Å |
| 756 | V | 86.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 177 | 165.6 | 0 | 0 | 0 | 0 | 110.2 | M752 K753 I758 H759 I760 T782 L785 L786 L789 Y806 | M752-V756 WeakPolarHBondContact O-CB 3.07Å; M752-V756 VanDerWaalsContact O-CG2 3.24Å; M752-V756 WeakPolarHBondContact O-CG2 3.33Å; M752-V756 PolarHBondContact O-N 3.42Å; K753-V756 PolarHBondContact O-N 3.15Å; V756-I758 VanDerWaalsContact C-N 3.3Å; V756-I758 PolarHBondContact O-N 2.86Å; V756-H759 PolarHBondContact O-N 2.89Å; V756-I760 HydrophobicContact CG1-CD1 3.66Å; V756-I760 HydrophobicContact CG1-CG1 4.3Å; V756-I760 WeakPolarHBondContact O-CB 3.43Å; V756-I760 WeakPolarHBondContact O-CG1 3.38Å; V756-I760 PolarHBondContact O-N 3.2Å; V756-T782 HydrophobicContact CB-CG2 4.36Å; V756-T782 HydrophobicContact CG1-CG2 3.86Å; V756-T782 HydrophobicContact CG2-CG2 4.31Å; V756-L785 HydrophobicContact CG2-CB 4Å; V756-L785 HydrophobicContact CG2-CD1 4.46Å; V756-L786 HydrophobicContact CG1-CD2 4.26Å; V756-L786 HydrophobicContact CG2-CD2 4.2Å; V756-L786 HydrophobicContact CG2-CG 4.2Å; V756-L789 HydrophobicContact CG2-CD1 4.5Å; V756-Y806 HydrophobicContact CG1-CD2 3.77Å; V756-Y806 HydrophobicContact CG1-CG 4.06Å |
| 757 | E | 85.6 | Confident | 82 | Confident | 32 Ų | 32 | 27.6 Ų | 27.6 | 15% | 0.15 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 177.9 | -74.2 | 177.1 | -166.9 | 0 | 0 | 112.6 | R715 K753 E754 F761 Y806 | R715-E757 IonicContact CZ-OE2 3.65Å; R715-E757 VanDerWaalsContact CZ-OE2 3.26Å; R715-E757 IonicContact NH1-OE2 2.76Å; R715-E757 PolarHBondContact NH1-OE2 3.46Å; R715-E757 IonicContact NH2-OE2 3.82Å; R715-E757 PolarHBondContact NH2-OE2 3.17Å; K753-E757 WeakPolarHBondContact CE-OE1 3.37Å; K753-E757 IonicContact NZ-OE1 3.59Å; K753-E757 WeakPolarHBondContact O-CG 3.44Å; K753-E757 PolarHBondContact O-N 3.28Å; E754-E757 PolarHBondContact O-N 3.15Å; E757-F761 WeakPolarHBondContact O-CB 3.31Å; E757-F761 PolarHBondContact O-N 2.85Å; E757-Y806 VanDerWaalsContact CD-OH 3.29Å; E757-Y806 HydrophobicContact CG-CE1 4.32Å; E757-Y806 HydrophobicContact CG-CE2 3.85Å; E757-Y806 WeakPolarHBondContact CG-OH 3.42Å; E757-Y806 PolarHBondContact OE1-OH 2.89Å |
| 758 | I | 86.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.036 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -47.1 | 177.5 | -68.7 | 165 | 0 | 0 | 0 | 111.4 | I720 S723 L724 F727 E754 L755 V756 I760 F761 K762 | I720-I758 HydrophobicContact CG2-CG2 3.52Å; S723-I758 WeakPolarHBondContact OG-CD1 3.41Å; L724-I758 HydrophobicContact CD1-CG2 4.12Å; L724-I758 HydrophobicContact CD2-CB 4.09Å; L724-I758 HydrophobicContact CD2-CD1 4.42Å; L724-I758 HydrophobicContact CD2-CG2 3.54Å; L724-I758 HydrophobicContact CG-CG2 3.7Å; F727-I758 HydrophobicContact CD2-CD1 3.6Å; F727-I758 HydrophobicContact CE2-CD1 3.51Å; E754-I758 WeakPolarHBondContact O-CD1 3.37Å; E754-I758 VanDerWaalsContact O-CG1 3.26Å; E754-I758 WeakPolarHBondContact O-CG1 3.26Å; E754-I758 PolarHBondContact O-N 3.43Å; L755-I758 PolarHBondContact O-N 3.16Å; V756-I758 VanDerWaalsContact C-N 3.3Å; V756-I758 PolarHBondContact O-N 2.86Å; I758-I760 VanDerWaalsContact C-N 3.32Å; I758-I760 PolarHBondContact O-N 3.04Å; I758-F761 PolarHBondContact O-N 3.37Å; I758-K762 HydrophobicContact CG2-CD 4.23Å; I758-K762 HydrophobicContact CG2-CG 4.39Å; I758-K762 WeakPolarHBondContact O-CG 3.35Å; I758-K762 PolarHBondContact O-N 3.24Å |
| 759 | H | 87.2 | Confident | 80.6 | Confident | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -33.2 | 179 | -75.3 | -74.7 | 0 | 0 | 0 | 112.3 | L755 V756 K762 C763 D778 T782 | L755-H759 PolarHBondContact O-CD2 3.38Å; L755-H759 PolarHBondContact O-N 3.49Å; V756-H759 PolarHBondContact O-N 2.89Å; H759-K762 PolarHBondContact O-N 2.9Å; H759-C763 WeakPolarHBondContact O-CB 3.07Å; H759-C763 PolarHBondContact O-N 3.41Å; H759-D778 IonicContact CE1-OD1 2.59Å; H759-D778 IonicContact ND1-OD1 3.71Å; H759-D778 PolarHBondContact ND1-OD1 2.92Å; H759-T782 HydrophobicContact CB-CG2 4.44Å; H759-T782 WeakPolarHBondContact CB-OG1 3.19Å |
| 760 | I | 84.9 | Confident | 79.4 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 169.8 | -69.1 | 170.8 | 0 | 0 | 0 | 110.2 | V756 I758 K762 C763 Q764 T782 Y806 I810 | V756-I760 HydrophobicContact CG1-CD1 3.66Å; V756-I760 HydrophobicContact CG1-CG1 4.3Å; V756-I760 WeakPolarHBondContact O-CB 3.43Å; V756-I760 WeakPolarHBondContact O-CG1 3.38Å; V756-I760 PolarHBondContact O-N 3.2Å; I758-I760 VanDerWaalsContact C-N 3.32Å; I758-I760 PolarHBondContact O-N 3.04Å; I760-K762 PolarHBondContact O-N 3.19Å; I760-C763 PolarHBondContact O-N 3.3Å; I760-Q764 HydrophobicContact CG2-CG 4.36Å; I760-Q764 WeakPolarHBondContact O-CB 3.49Å; I760-Q764 WeakPolarHBondContact O-CG 3.4Å; I760-Q764 PolarHBondContact O-N 3.26Å; I760-T782 HydrophobicContact CG1-CG2 4.05Å; I760-Y806 HydrophobicContact CD1-CD1 3.65Å; I760-Y806 HydrophobicContact CD1-CD2 4.48Å; I760-Y806 HydrophobicContact CD1-CE1 4.48Å; I760-Y806 HydrophobicContact CD1-CG 3.69Å; I760-I810 HydrophobicContact CD1-CD1 3.89Å; I760-I810 HydrophobicContact CD1-CG1 4Å; I760-I810 HydrophobicContact CG1-CD1 3.63Å; I760-I810 HydrophobicContact CG1-CG1 3.53Å |
| 761 | F | 82 | Confident | 78.5 | Confident | 111 Ų | 111 | 32.2 Ų | 32.2 | 49% | 0.487 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 179.3 | -178.7 | -93.3 | 0 | 0 | 0 | 111.7 | I720 E757 I758 C763 Q764 S765 | I720-F761 HydrophobicContact CD1-CD1 3.73Å; I720-F761 HydrophobicContact CD1-CE1 3.6Å; E757-F761 WeakPolarHBondContact O-CB 3.31Å; E757-F761 PolarHBondContact O-N 2.85Å; I758-F761 PolarHBondContact O-N 3.37Å; F761-C763 PolarHBondContact O-N 2.87Å; F761-Q764 PolarHBondContact O-N 2.92Å; F761-S765 PolarHBondContact O-N 3.1Å; F761-S765 PolarHBondContact O-OG 3.19Å |
| 762 | K | 83.3 | Confident | 77.4 | Confident | 55 Ų | 55 | 34.2 Ų | 34.2 | 24% | 0.239 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 175.5 | -71.5 | -178 | 76.4 | -136.3 | 0 | 112.7 | I720 L724 I758 H759 I760 S765 G766 D778 | I720-K762 HydrophobicContact CG2-CD 3.6Å; I720-K762 HydrophobicContact CG2-CG 3.73Å; L724-K762 HydrophobicContact CD1-CD 3.73Å; I758-K762 HydrophobicContact CG2-CD 4.23Å; I758-K762 HydrophobicContact CG2-CG 4.39Å; I758-K762 WeakPolarHBondContact O-CG 3.35Å; I758-K762 PolarHBondContact O-N 3.24Å; H759-K762 PolarHBondContact O-N 2.9Å; I760-K762 PolarHBondContact O-N 3.19Å; K762-S765 WeakPolarHBondContact CA-OG 3.42Å; K762-S765 PolarHBondContact O-N 3.45Å; K762-S765 PolarHBondContact O-OG 2.99Å; K762-G766 PolarHBondContact O-N 3.03Å; K762-D778 WeakPolarHBondContact CB-OD2 3.34Å; K762-D778 WeakPolarHBondContact CE-OD2 3.23Å; K762-D778 VanDerWaalsContact NZ-CG 3.33Å; K762-D778 IonicContact NZ-OD1 2.97Å; K762-D778 PolarHBondContact NZ-OD1 3.04Å; K762-D778 IonicContact NZ-OD2 2.81Å; K762-D778 PolarHBondContact NZ-OD2 3.01Å |
| 763 | C | 82.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 175.6 | -173 | 0 | 0 | 0 | 0 | 109.9 | H759 I760 F761 S765 G766 M767 A775 D778 | H759-C763 WeakPolarHBondContact O-CB 3.07Å; H759-C763 PolarHBondContact O-N 3.41Å; I760-C763 PolarHBondContact O-N 3.3Å; F761-C763 PolarHBondContact O-N 2.87Å; C763-S765 PolarHBondContact O-N 3.1Å; C763-G766 PolarHBondContact O-N 2.99Å; C763-M767 WeakPolarHBondContact O-CB 3.5Å; C763-M767 WeakPolarHBondContact O-CG 3.23Å; C763-M767 PolarHBondContact O-N 2.81Å; C763-A775 PolarHBondContact SG-O 3.43Å; C763-A775 VanDerWaalsContact SG-O 3.4Å; C763-D778 HydrophobicContact CB-CB 4.28Å |
| 764 | Q | 77.9 | Confident | 76 | Confident | 64 Ų | 64 | 40 Ų | 40 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.7 | -51.3 | 175.2 | -73.2 | 178.1 | -5.8 | 0 | 0 | 111.6 | I760 F761 G766 M767 Y768 L813 | I760-Q764 HydrophobicContact CG2-CG 4.36Å; I760-Q764 WeakPolarHBondContact O-CB 3.49Å; I760-Q764 WeakPolarHBondContact O-CG 3.4Å; I760-Q764 PolarHBondContact O-N 3.26Å; F761-Q764 PolarHBondContact O-N 2.92Å; Q764-G766 VanDerWaalsContact C-N 3.33Å; Q764-G766 PolarHBondContact O-N 3.5Å; Q764-M767 PolarHBondContact O-N 3.5Å; Q764-Y768 HydrophobicContact CB-CE2 4.42Å; Q764-Y768 WeakPolarHBondContact O-CD2 3.4Å; Q764-Y768 PolarHBondContact O-N 2.7Å; Q764-L813 HydrophobicContact CG-CD1 3.43Å; Q764-L813 VanDerWaalsContact CG-CD1 3.43Å; Q764-L813 HydrophobicContact CG-CD2 3.79Å; Q764-L813 HydrophobicContact CG-CG 4.26Å |
| 765 | S | 72.2 | Confident | 75.6 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.1 | -42 | 177.9 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | F761 K762 C763 M767 Y768 Q769 | F761-S765 PolarHBondContact O-N 3.1Å; F761-S765 PolarHBondContact O-OG 3.19Å; K762-S765 WeakPolarHBondContact CA-OG 3.42Å; K762-S765 PolarHBondContact O-N 3.45Å; K762-S765 PolarHBondContact O-OG 2.99Å; C763-S765 PolarHBondContact O-N 3.1Å; S765-M767 VanDerWaalsContact C-N 3.34Å; S765-M767 PolarHBondContact O-N 3.01Å; S765-Y768 PolarHBondContact O-N 3.26Å; S765-Q769 WeakPolarHBondContact O-CB 3.49Å; S765-Q769 WeakPolarHBondContact O-CG 3.22Å; S765-Q769 PolarHBondContact O-N 2.81Å |
| 766 | G | 71.8 | Confident | 75.2 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.8 | -32.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K762 C763 Q764 C771 T772 | K762-G766 PolarHBondContact O-N 3.03Å; C763-G766 PolarHBondContact O-N 2.99Å; Q764-G766 VanDerWaalsContact C-N 3.33Å; Q764-G766 PolarHBondContact O-N 3.5Å; G766-C771 PolarHBondContact O-N 3.38Å; G766-C771 VanDerWaalsContact O-N 3.13Å; G766-T772 PolarHBondContact O-N 2.95Å |
| 767 | M | 72.7 | Confident | 75 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.1 | -47.2 | 172 | -68.7 | -66.7 | 163.5 | 0 | 0 | 110.6 | C763 Q764 S765 Q769 G770 C771 A775 L776 M816 I817 | C763-M767 WeakPolarHBondContact O-CB 3.5Å; C763-M767 WeakPolarHBondContact O-CG 3.23Å; C763-M767 PolarHBondContact O-N 2.81Å; Q764-M767 PolarHBondContact O-N 3.5Å; S765-M767 VanDerWaalsContact C-N 3.34Å; S765-M767 PolarHBondContact O-N 3.01Å; M767-Q769 VanDerWaalsContact C-N 3.28Å; M767-Q769 PolarHBondContact O-N 3.5Å; M767-G770 PolarHBondContact O-N 3.16Å; M767-C771 PolarHBondContact O-N 2.94Å; M767-C771 HydrophobicContact SD-CB 4.25Å; M767-A775 HydrophobicContact CE-CB 3.65Å; M767-A775 HydrophobicContact CG-CB 4.27Å; M767-A775 HydrophobicContact SD-CB 4.27Å; M767-L776 HydrophobicContact CE-CD2 4.07Å; M767-L776 HydrophobicContact CE-CG 4.33Å; M767-M816 HydrophobicContact CB-SD 3.76Å; M767-I817 HydrophobicContact CE-CD1 4.22Å; M767-I817 HydrophobicContact SD-CD1 4.27Å; M767-I817 HydrophobicContact SD-CG1 4.42Å |
| 768 | Y | 64.8 | Low | 75 | Confident | 148 Ų | 148 | 45.7 Ų | 45.7 | 58% | 0.58 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63 | -29.5 | 175.9 | -75.3 | -63.1 | 0 | 0 | 0 | 113.8 | Q764 S765 M816 | Q764-Y768 HydrophobicContact CB-CE2 4.42Å; Q764-Y768 WeakPolarHBondContact O-CD2 3.4Å; Q764-Y768 PolarHBondContact O-N 2.7Å; S765-Y768 PolarHBondContact O-N 3.26Å; Y768-M816 HydrophobicContact CD1-CE 4.3Å; Y768-M816 HydrophobicContact CE1-CE 3.75Å; Y768-M816 HydrophobicContact CE2-CE 4.45Å |
| 769 | Q | 63.1 | Low | 74.9 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 48% | 0.477 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -80.5 | -13.6 | -177.9 | -78.5 | 176.4 | 0.3 | 0 | 0 | 115.1 | S765 M767 S1142 | S765-Q769 WeakPolarHBondContact O-CB 3.49Å; S765-Q769 WeakPolarHBondContact O-CG 3.22Å; S765-Q769 PolarHBondContact O-N 2.81Å; M767-Q769 VanDerWaalsContact C-N 3.28Å; M767-Q769 PolarHBondContact O-N 3.5Å; Q769-S1142 PolarHBondContact O-OG 3.18Å |
| 770 | G | 55.1 | Low | 74.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | 147.7 | 4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | M767 S1142 F1210 | M767-G770 PolarHBondContact O-N 3.16Å; G770-S1142 VanDerWaalsContact CA-OG 3.23Å; G770-S1142 WeakPolarHBondContact CA-OG 3.34Å; G770-F1210 WeakPolarHBondContact O-CE2 3.23Å |
| 771 | C | 62.1 | Low | 74.9 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | trans | 49.7 | 66.9 | -164.2 | -174 | 0 | 0 | 0 | 0 | 111.7 | G766 M767 F1210 | G766-C771 PolarHBondContact O-N 3.38Å; G766-C771 VanDerWaalsContact O-N 3.13Å; M767-C771 PolarHBondContact O-N 2.94Å; M767-C771 HydrophobicContact SD-CB 4.25Å; C771-F1210 HydrophobicContact CB-CD1 3.92Å; C771-F1210 HydrophobicContact CB-CE1 3.52Å; C771-F1210 HydrophobicContact CB-CE2 4.48Å; C771-F1210 HydrophobicContact CB-CZ 3.85Å | ||
| 772 | T | 62.6 | Low | 75.2 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | trans | -66.8 | 150.4 | 174.8 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | G766 Q774 A775 | G766-T772 PolarHBondContact O-N 2.95Å; T772-Q774 PolarHBondContact O-N 3.16Å; T772-A775 VanDerWaalsContact O-CB 3.31Å; T772-A775 WeakPolarHBondContact O-CB 3.42Å; T772-A775 PolarHBondContact O-N 3.41Å; T772-A775 PolarHBondContact OG1-N 3.43Å | ||
| 773 | G | 67.6 | Low | 75.3 | Confident | 51 Ų | 51 | 44 Ų | 44 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.8 | -23.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | N777 | G773-N777 VanDerWaalsContact O-CG 3.3Å; G773-N777 PolarHBondContact O-N 3.49Å; G773-N777 VanDerWaalsContact O-N 3.16Å; G773-N777 PolarHBondContact O-ND2 2.62Å |
| 774 | Q | 74 | Confident | 75.5 | Confident | 138 Ų | 138 | 46.3 Ų | 46.3 | 65% | 0.645 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.8 | -35 | 171.7 | -67.5 | 179.2 | -7.8 | 0 | 0 | 112.8 | T772 N777 D778 | T772-Q774 PolarHBondContact O-N 3.16Å; Q774-N777 CarbonylContact O-C 3.14Å; Q774-N777 WeakPolarHBondContact O-CB 3.15Å; Q774-N777 PolarHBondContact O-N 2.88Å; Q774-D778 WeakPolarHBondContact O-CB 3.18Å; Q774-D778 PolarHBondContact O-N 3.46Å |
| 775 | A | 78.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -38.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C763 M767 T772 D778 L779 | C763-A775 PolarHBondContact SG-O 3.43Å; C763-A775 VanDerWaalsContact SG-O 3.4Å; M767-A775 HydrophobicContact CE-CB 3.65Å; M767-A775 HydrophobicContact CG-CB 4.27Å; M767-A775 HydrophobicContact SD-CB 4.27Å; T772-A775 VanDerWaalsContact O-CB 3.31Å; T772-A775 WeakPolarHBondContact O-CB 3.42Å; T772-A775 PolarHBondContact O-N 3.41Å; T772-A775 PolarHBondContact OG1-N 3.43Å; A775-D778 PolarHBondContact O-N 2.95Å; A775-L779 WeakPolarHBondContact O-CB 2.9Å; A775-L779 PolarHBondContact O-N 3.1Å |
| 776 | L | 79.3 | Confident | 76.6 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.5 | -38.1 | 172 | -72.5 | 173.3 | 0 | 0 | 0 | 111.9 | M767 L779 H780 L814 I817 | M767-L776 HydrophobicContact CE-CD2 4.07Å; M767-L776 HydrophobicContact CE-CG 4.33Å; L776-L779 WeakPolarHBondContact O-CB 3.4Å; L776-L779 PolarHBondContact O-N 2.99Å; L776-H780 PolarHBondContact O-N 3.44Å; L776-L814 HydrophobicContact CD2-CD2 4.43Å; L776-I817 HydrophobicContact CD2-CD1 3.89Å |
| 777 | N | 82.8 | Confident | 77.1 | Confident | 100 Ų | 100 | 42.5 Ų | 42.5 | 54% | 0.535 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.2 | -46 | 172.9 | -70.5 | -16.3 | 0 | 0 | 0 | 111.2 | G773 Q774 L779 H780 H781 | G773-N777 VanDerWaalsContact O-CG 3.3Å; G773-N777 PolarHBondContact O-N 3.49Å; G773-N777 VanDerWaalsContact O-N 3.16Å; G773-N777 PolarHBondContact O-ND2 2.62Å; Q774-N777 CarbonylContact O-C 3.14Å; Q774-N777 WeakPolarHBondContact O-CB 3.15Å; Q774-N777 PolarHBondContact O-N 2.88Å; N777-L779 VanDerWaalsContact C-N 3.29Å; N777-L779 PolarHBondContact O-N 3.06Å; N777-H780 PolarHBondContact O-N 3.05Å; N777-H780 VanDerWaalsContact O-N 3.17Å; N777-H781 PolarHBondContact O-N 3.2Å; N777-H781 PolarHBondContact O-ND1 3.28Å |
| 778 | D | 84 | Confident | 77.6 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 177.1 | -81 | -45.6 | 0 | 0 | 0 | 111.3 | H759 K762 C763 Q774 A775 H781 T782 | H759-D778 IonicContact CE1-OD1 2.59Å; H759-D778 IonicContact ND1-OD1 3.71Å; H759-D778 PolarHBondContact ND1-OD1 2.92Å; K762-D778 WeakPolarHBondContact CB-OD2 3.34Å; K762-D778 WeakPolarHBondContact CE-OD2 3.23Å; K762-D778 VanDerWaalsContact NZ-CG 3.33Å; K762-D778 IonicContact NZ-OD1 2.97Å; K762-D778 PolarHBondContact NZ-OD1 3.04Å; K762-D778 IonicContact NZ-OD2 2.81Å; K762-D778 PolarHBondContact NZ-OD2 3.01Å; C763-D778 HydrophobicContact CB-CB 4.28Å; Q774-D778 WeakPolarHBondContact O-CB 3.18Å; Q774-D778 PolarHBondContact O-N 3.46Å; A775-D778 PolarHBondContact O-N 2.95Å; D778-H781 PolarHBondContact O-N 3.39Å; D778-T782 PolarHBondContact O-N 3.33Å; D778-T782 PolarHBondContact O-OG1 3.27Å |
| 779 | L | 85.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -50.2 | 171.1 | -177.1 | 150.2 | 0 | 0 | 0 | 111.4 | A775 L776 N777 H781 T782 L783 I810 L814 I824 | A775-L779 WeakPolarHBondContact O-CB 2.9Å; A775-L779 PolarHBondContact O-N 3.1Å; L776-L779 WeakPolarHBondContact O-CB 3.4Å; L776-L779 PolarHBondContact O-N 2.99Å; N777-L779 VanDerWaalsContact C-N 3.29Å; N777-L779 PolarHBondContact O-N 3.06Å; L779-H781 VanDerWaalsContact C-N 3.34Å; L779-H781 PolarHBondContact O-N 3.23Å; L779-T782 PolarHBondContact O-N 3.11Å; L779-L783 HydrophobicContact CD2-CD1 3.65Å; L779-L783 HydrophobicContact CD2-CG 4.3Å; L779-L783 WeakPolarHBondContact O-CG 3.43Å; L779-L783 PolarHBondContact O-N 3.03Å; L779-I810 HydrophobicContact CD1-CG2 4.01Å; L779-I810 HydrophobicContact CG-CG2 3.76Å; L779-L814 HydrophobicContact CD1-CD1 4.1Å; L779-L814 HydrophobicContact CD1-CD2 3.46Å; L779-L814 VanDerWaalsContact CD1-CD2 3.46Å; L779-L814 HydrophobicContact CD1-CG 3.75Å; L779-I824 HydrophobicContact CD2-CG2 4.01Å |
| 780 | H | 85 | Confident | 78.8 | Confident | 67 Ų | 67 | 34.9 Ų | 34.9 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 178.1 | -170.9 | 73.9 | 0 | 0 | 0 | 111.3 | L776 N777 T782 L783 T784 | L776-H780 PolarHBondContact O-N 3.44Å; N777-H780 PolarHBondContact O-N 3.05Å; N777-H780 VanDerWaalsContact O-N 3.17Å; H780-T782 VanDerWaalsContact C-N 3.32Å; H780-T782 PolarHBondContact O-N 2.93Å; H780-L783 PolarHBondContact O-N 2.83Å; H780-T784 VanDerWaalsContact O-CG2 3.31Å; H780-T784 WeakPolarHBondContact O-CG2 3.38Å; H780-T784 PolarHBondContact O-N 3.25Å |
| 781 | H | 86.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 38.7 Ų | 38.7 | 43% | 0.431 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -45 | 175.2 | -76.9 | 70.8 | 0 | 0 | 0 | 111.1 | N777 D778 L779 L783 T784 L785 | N777-H781 PolarHBondContact O-N 3.2Å; N777-H781 PolarHBondContact O-ND1 3.28Å; D778-H781 PolarHBondContact O-N 3.39Å; L779-H781 VanDerWaalsContact C-N 3.34Å; L779-H781 PolarHBondContact O-N 3.23Å; H781-L783 PolarHBondContact O-N 3.35Å; H781-T784 WeakPolarHBondContact CA-OG1 3.26Å; H781-T784 PolarHBondContact O-N 3.27Å; H781-T784 VanDerWaalsContact O-N 3.16Å; H781-T784 PolarHBondContact O-OG1 3.06Å; H781-L785 WeakPolarHBondContact O-CG 3.25Å; H781-L785 PolarHBondContact O-N 3.42Å |
| 782 | T | 87.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.6 | -42.7 | 0 | 0 | 0 | 0 | 112.1 | V756 H759 I760 D778 L779 H780 T784 L785 L786 I810 | V756-T782 HydrophobicContact CB-CG2 4.36Å; V756-T782 HydrophobicContact CG1-CG2 3.86Å; V756-T782 HydrophobicContact CG2-CG2 4.31Å; H759-T782 HydrophobicContact CB-CG2 4.44Å; H759-T782 WeakPolarHBondContact CB-OG1 3.19Å; I760-T782 HydrophobicContact CG1-CG2 4.05Å; D778-T782 PolarHBondContact O-N 3.33Å; D778-T782 PolarHBondContact O-OG1 3.27Å; L779-T782 PolarHBondContact O-N 3.11Å; H780-T782 VanDerWaalsContact C-N 3.32Å; H780-T782 PolarHBondContact O-N 2.93Å; T782-T784 VanDerWaalsContact C-N 3.31Å; T782-T784 PolarHBondContact O-N 3.46Å; T782-L785 PolarHBondContact O-N 3.35Å; T782-L786 HydrophobicContact CG2-CD1 4.05Å; T782-L786 WeakPolarHBondContact O-CB 3.45Å; T782-L786 WeakPolarHBondContact O-CD1 3.17Å; T782-L786 VanDerWaalsContact O-CG 3.3Å; T782-L786 WeakPolarHBondContact O-CG 3.35Å; T782-L786 PolarHBondContact O-N 3.44Å; T782-I810 HydrophobicContact CG2-CD1 3.18Å; T782-I810 HydrophobicContact CG2-CG1 4.31Å |
| 783 | L | 86.5 | Confident | 80.1 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 174.4 | -68.4 | 178.2 | 0 | 0 | 0 | 112 | L779 H780 H781 N787 L811 V826 P827 L830 | L779-L783 HydrophobicContact CD2-CD1 3.65Å; L779-L783 HydrophobicContact CD2-CG 4.3Å; L779-L783 WeakPolarHBondContact O-CG 3.43Å; L779-L783 PolarHBondContact O-N 3.03Å; H780-L783 PolarHBondContact O-N 2.83Å; H781-L783 PolarHBondContact O-N 3.35Å; L783-N787 VanDerWaalsContact O-CB 3.31Å; L783-N787 WeakPolarHBondContact O-CB 3.49Å; L783-N787 PolarHBondContact O-N 3.49Å; L783-L811 HydrophobicContact CD2-CD2 4.49Å; L783-V826 HydrophobicContact CD1-CG2 4.4Å; L783-P827 HydrophobicContact CB-CG 4.21Å; L783-L830 HydrophobicContact CB-CD1 4.47Å; L783-L830 HydrophobicContact CD2-CD1 3.97Å |
| 784 | T | 85.7 | Confident | 79.7 | Confident | 48 Ų | 48 | 43 Ų | 43 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 175.5 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | H780 H781 T782 N787 K788 | H780-T784 VanDerWaalsContact O-CG2 3.31Å; H780-T784 WeakPolarHBondContact O-CG2 3.38Å; H780-T784 PolarHBondContact O-N 3.25Å; H781-T784 WeakPolarHBondContact CA-OG1 3.26Å; H781-T784 PolarHBondContact O-N 3.27Å; H781-T784 VanDerWaalsContact O-N 3.16Å; H781-T784 PolarHBondContact O-OG1 3.06Å; T782-T784 VanDerWaalsContact C-N 3.31Å; T782-T784 PolarHBondContact O-N 3.46Å; T784-N787 PolarHBondContact O-N 3.07Å; T784-K788 WeakPolarHBondContact O-CG 3.37Å; T784-K788 PolarHBondContact O-N 3.25Å |
| 785 | L | 86.8 | Confident | 78.8 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.2 | -70.2 | 173.3 | 0 | 0 | 0 | 111.3 | M752 L755 V756 H781 T782 N787 K788 L789 | M752-L785 HydrophobicContact CE-CB 3.91Å; M752-L785 HydrophobicContact CE-CD2 3.71Å; M752-L785 HydrophobicContact CE-CG 4.42Å; M752-L785 WeakPolarHBondContact CE-O 3Å; M752-L785 HydrophobicContact SD-CD2 3.92Å; L755-L785 HydrophobicContact CB-CD1 3.98Å; V756-L785 HydrophobicContact CG2-CB 4Å; V756-L785 HydrophobicContact CG2-CD1 4.46Å; H781-L785 WeakPolarHBondContact O-CG 3.25Å; H781-L785 PolarHBondContact O-N 3.42Å; T782-L785 PolarHBondContact O-N 3.35Å; L785-N787 VanDerWaalsContact C-N 3.33Å; L785-N787 PolarHBondContact O-N 2.93Å; L785-K788 WeakPolarHBondContact O-CB 3.24Å; L785-K788 PolarHBondContact O-N 3.35Å; L785-L789 PolarHBondContact O-N 3.09Å |
| 786 | L | 86.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.3 | -71.3 | 161.5 | 0 | 0 | 0 | 111.1 | V756 T782 K788 L789 L790 F803 T807 I810 | V756-L786 HydrophobicContact CG1-CD2 4.26Å; V756-L786 HydrophobicContact CG2-CD2 4.2Å; V756-L786 HydrophobicContact CG2-CG 4.2Å; T782-L786 HydrophobicContact CG2-CD1 4.05Å; T782-L786 WeakPolarHBondContact O-CB 3.45Å; T782-L786 WeakPolarHBondContact O-CD1 3.17Å; T782-L786 VanDerWaalsContact O-CG 3.3Å; T782-L786 WeakPolarHBondContact O-CG 3.35Å; T782-L786 PolarHBondContact O-N 3.44Å; L786-K788 PolarHBondContact O-N 2.94Å; L786-L789 HydrophobicContact CD2-CD1 4.48Å; L786-L789 WeakPolarHBondContact O-CB 3.35Å; L786-L789 PolarHBondContact O-N 3.4Å; L786-L790 PolarHBondContact O-N 2.96Å; L786-F803 HydrophobicContact CB-CE2 3.98Å; L786-F803 HydrophobicContact CB-CZ 4.49Å; L786-F803 HydrophobicContact CD2-CD2 3.69Å; L786-F803 HydrophobicContact CD2-CE2 3.71Å; L786-F803 HydrophobicContact CG-CE2 4.49Å; L786-F803 WeakPolarHBondContact O-CE2 3.25Å; L786-T807 HydrophobicContact CB-CG2 4.3Å; L786-T807 HydrophobicContact CD1-CG2 3.66Å; L786-T807 HydrophobicContact CD2-CG2 4.14Å; L786-T807 HydrophobicContact CG-CG2 4.24Å; L786-I810 HydrophobicContact CD1-CD1 3.78Å |
| 787 | N | 82.8 | Confident | 76.6 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 174.7 | -173.5 | 31.5 | 0 | 0 | 0 | 112.8 | L783 T784 L785 L790 P827 R829 P846 | L783-N787 VanDerWaalsContact O-CB 3.31Å; L783-N787 WeakPolarHBondContact O-CB 3.49Å; L783-N787 PolarHBondContact O-N 3.49Å; T784-N787 PolarHBondContact O-N 3.07Å; L785-N787 VanDerWaalsContact C-N 3.33Å; L785-N787 PolarHBondContact O-N 2.93Å; N787-L790 WeakPolarHBondContact O-CB 3.47Å; N787-L790 PolarHBondContact O-N 3.39Å; N787-P827 HydrophobicContact CB-CB 4.03Å; N787-P827 HydrophobicContact CB-CG 4.05Å; N787-R829 WeakPolarHBondContact OD1-CB 3.47Å; N787-R829 WeakPolarHBondContact OD1-CD 3.5Å; N787-P846 PolarHBondContact ND2-O 3.22Å |
| 788 | K | 82.1 | Confident | 75.7 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 173.2 | -75.6 | -177.1 | 176.9 | -168.7 | 0 | 112.3 | M752 T784 L785 L786 L790 N791 | M752-K788 HydrophobicContact CE-CB 3.91Å; T784-K788 WeakPolarHBondContact O-CG 3.37Å; T784-K788 PolarHBondContact O-N 3.25Å; L785-K788 WeakPolarHBondContact O-CB 3.24Å; L785-K788 PolarHBondContact O-N 3.35Å; L786-K788 PolarHBondContact O-N 2.94Å; K788-L790 PolarHBondContact O-N 2.84Å; K788-N791 WeakPolarHBondContact O-CB 3.49Å; K788-N791 PolarHBondContact O-N 3.37Å |
| 789 | L | 80 | Confident | 75 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -31 | 177.5 | -89.3 | 167.8 | 0 | 0 | 0 | 112.9 | M752 V756 L785 L786 N791 Y792 F793 W802 F803 | M752-L789 HydrophobicContact CB-CD1 3.94Å; M752-L789 HydrophobicContact CB-CD2 3.67Å; M752-L789 HydrophobicContact CB-CG 3.84Å; M752-L789 HydrophobicContact CE-CD1 4.46Å; M752-L789 HydrophobicContact CE-CG 3.87Å; M752-L789 HydrophobicContact CG-CD2 4.08Å; M752-L789 HydrophobicContact CG-CG 4.26Å; V756-L789 HydrophobicContact CG2-CD1 4.5Å; L785-L789 PolarHBondContact O-N 3.09Å; L786-L789 HydrophobicContact CD2-CD1 4.48Å; L786-L789 WeakPolarHBondContact O-CB 3.35Å; L786-L789 PolarHBondContact O-N 3.4Å; L789-N791 PolarHBondContact O-N 2.9Å; L789-Y792 PolarHBondContact O-N 3.26Å; L789-F793 HydrophobicContact CB-CE2 4.08Å; L789-F793 HydrophobicContact CD2-CZ 4.42Å; L789-F793 WeakPolarHBondContact O-CD2 3.35Å; L789-F793 PolarHBondContact O-N 3.49Å; L789-W802 HydrophobicContact CD1-CH2 3.86Å; L789-W802 HydrophobicContact CD1-CZ3 3.98Å; L789-W802 HydrophobicContact CD2-CH2 4.44Å; L789-F803 HydrophobicContact CB-CE2 4.42Å |
| 790 | L | 74.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.4 | -36.7 | 177.7 | -68.6 | 173.7 | 0 | 0 | 0 | 112.8 | L786 N787 K788 Y792 F793 V794 F803 R829 L830 L833 | L786-L790 PolarHBondContact O-N 2.96Å; N787-L790 WeakPolarHBondContact O-CB 3.47Å; N787-L790 PolarHBondContact O-N 3.39Å; K788-L790 PolarHBondContact O-N 2.84Å; L790-Y792 PolarHBondContact O-N 3.03Å; L790-Y792 VanDerWaalsContact O-N 3.15Å; L790-F793 CarbonylContact O-C 3.58Å; L790-F793 PolarHBondContact O-N 3.41Å; L790-V794 VanDerWaalsContact O-CG2 3.29Å; L790-V794 WeakPolarHBondContact O-CG2 3.06Å; L790-V794 PolarHBondContact O-N 3.38Å; L790-F803 HydrophobicContact CD2-CE1 3.92Å; L790-F803 HydrophobicContact CD2-CE2 4.07Å; L790-F803 HydrophobicContact CD2-CZ 3.44Å; L790-F803 VanDerWaalsContact CD2-CZ 3.44Å; L790-F803 HydrophobicContact CG-CE2 4.37Å; L790-F803 HydrophobicContact CG-CZ 3.93Å; L790-R829 HydrophobicContact CD1-CB 4.08Å; L790-L830 HydrophobicContact CD1-CD2 4.01Å; L790-L833 HydrophobicContact CD1-CD1 3.65Å; L790-L833 HydrophobicContact CD2-CD1 3.52Å; L790-L833 HydrophobicContact CG-CD1 4.22Å |
| 791 | N | 71.5 | Confident | 74.4 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.7 | -32.1 | 178.3 | -68.2 | -22.4 | 0 | 0 | 0 | 112.6 | K788 L789 R829 | K788-N791 WeakPolarHBondContact O-CB 3.49Å; K788-N791 PolarHBondContact O-N 3.37Å; L789-N791 PolarHBondContact O-N 2.9Å; N791-R829 PolarHBondContact OD1-NH1 2.78Å |
| 792 | Y | 68.6 | Low | 74.2 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 38% | 0.384 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -82.9 | -20.8 | 179.3 | -70.7 | -90.4 | 0 | 0 | 0 | 112.9 | Y748 L789 L790 | Y748-Y792 HydrophobicContact CD1-CD1 4.32Å; Y748-Y792 AromaticContact CD1-CD2 3.96Å; Y748-Y792 HydrophobicContact CD1-CD2 3.96Å; Y748-Y792 AromaticContact CD1-CE1 3.97Å; Y748-Y792 HydrophobicContact CD1-CE1 3.97Å; Y748-Y792 AromaticContact CD1-CE2 3.6Å; Y748-Y792 HydrophobicContact CD1-CE2 3.6Å; Y748-Y792 HydrophobicContact CD1-CG 4.3Å; Y748-Y792 AromaticContact CD1-CZ 3.58Å; Y748-Y792 AromaticContact CE1-CD2 3.5Å; Y748-Y792 HydrophobicContact CE1-CD2 3.5Å; Y748-Y792 VanDerWaalsContact CE1-CD2 3.5Å; Y748-Y792 HydrophobicContact CE1-CE1 4.23Å; Y748-Y792 AromaticContact CE1-CE2 3Å; Y748-Y792 HydrophobicContact CE1-CE2 3Å; Y748-Y792 HydrophobicContact CE1-CG 4.29Å; Y748-Y792 AromaticContact CE1-CZ 3.41Å; Y748-Y792 VanDerWaalsContact CE1-CZ 3.41Å; Y748-Y792 HydrophobicContact CE2-CE2 4.27Å; Y748-Y792 HydrophobicContact CG-CE1 4.35Å; Y748-Y792 HydrophobicContact CG-CE2 4.44Å; Y748-Y792 AromaticContact CZ-CE2 3.4Å; Y748-Y792 AromaticContact CZ-CZ 3.68Å; L789-Y792 PolarHBondContact O-N 3.26Å; L790-Y792 PolarHBondContact O-N 3.03Å; L790-Y792 VanDerWaalsContact O-N 3.15Å |
| 793 | F | 67.7 | Low | 74.1 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -87.3 | -17.4 | 173.1 | -56.7 | -47.8 | 0 | 0 | 0 | 112.8 | L789 L790 G795 S796 V799 P800 W802 F803 | L789-F793 HydrophobicContact CB-CE2 4.08Å; L789-F793 HydrophobicContact CD2-CZ 4.42Å; L789-F793 WeakPolarHBondContact O-CD2 3.35Å; L789-F793 PolarHBondContact O-N 3.49Å; L790-F793 CarbonylContact O-C 3.58Å; L790-F793 PolarHBondContact O-N 3.41Å; F793-G795 PolarHBondContact O-N 3.1Å; F793-S796 VanDerWaalsContact CA-OG 3.3Å; F793-S796 WeakPolarHBondContact CA-OG 3.48Å; F793-S796 PolarHBondContact O-N 3.48Å; F793-S796 PolarHBondContact O-OG 3.09Å; F793-V799 HydrophobicContact CB-CG2 4.09Å; F793-V799 HydrophobicContact CD2-CG1 4.17Å; F793-V799 HydrophobicContact CE2-CG1 4.39Å; F793-V799 HydrophobicContact CG-CG2 4.37Å; F793-P800 HydrophobicContact CD1-CG 4.45Å; F793-P800 HydrophobicContact CE1-CG 3.52Å; F793-P800 HydrophobicContact CE2-CG 4.49Å; F793-P800 HydrophobicContact CZ-CG 3.55Å; F793-W802 HydrophobicContact CZ-CH2 4.24Å; F793-W802 HydrophobicContact CZ-CZ2 4.28Å; F793-F803 AromaticContact CE2-CD2 3.99Å; F793-F803 HydrophobicContact CE2-CD2 3.99Å; F793-F803 HydrophobicContact CE2-CG 4.38Å |
| 794 | V | 58.8 | Low | 74 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 108 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | L790 | L790-V794 VanDerWaalsContact O-CG2 3.29Å; L790-V794 WeakPolarHBondContact O-CG2 3.06Å; L790-V794 PolarHBondContact O-N 3.38Å |
| 795 | G | 54.6 | Low | 74 | Confident | 81 Ų | 81 | 53 Ų | 53 | 84% | 0.835 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.9 | -19.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | F793 | F793-G795 PolarHBondContact O-N 3.1Š|
| 796 | S | 55.9 | Low | 74 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | trans | -83.2 | 124 | 167.6 | 70.8 | 0 | 0 | 0 | 0 | 109.1 | F793 V798 | F793-S796 VanDerWaalsContact CA-OG 3.3Å; F793-S796 WeakPolarHBondContact CA-OG 3.48Å; F793-S796 PolarHBondContact O-N 3.48Å; F793-S796 PolarHBondContact O-OG 3.09Å; S796-V798 PolarHBondContact O-N 2.94Å | ||
| 797 | K | 54.4 | Low | 74 | Confident | 217 Ų | 217 | 54.1 Ų | 54.1 | 94% | 0.943 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -62.4 | -6.7 | -179 | -75.2 | -174.6 | 177.4 | 179.9 | 0 | 114.3 | ||
| 798 | V | 64.5 | Low | 74.1 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 69% | 0.685 | 28% | 0.283 | S | S | * | . | trans | -135.5 | 109.6 | -170.9 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | S796 | S796-V798 PolarHBondContact O-N 2.94Š| ||
| 799 | V | 70.6 | Confident | 74.2 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | trans | -76.9 | 132 | 164.9 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | F793 F803 F804 | F793-V799 HydrophobicContact CB-CG2 4.09Å; F793-V799 HydrophobicContact CD2-CG1 4.17Å; F793-V799 HydrophobicContact CE2-CG1 4.39Å; F793-V799 HydrophobicContact CG-CG2 4.37Å; V799-F803 HydrophobicContact CG1-CB 3.86Å; V799-F803 HydrophobicContact CG1-CD1 3.58Å; V799-F803 HydrophobicContact CG1-CE1 4.38Å; V799-F803 HydrophobicContact CG1-CG 3.83Å; V799-F804 HydrophobicContact CB-CE2 3.71Å; V799-F804 HydrophobicContact CB-CZ 3.86Å; V799-F804 HydrophobicContact CG1-CD2 4.29Å; V799-F804 HydrophobicContact CG1-CE2 3.6Å; V799-F804 HydrophobicContact CG1-CZ 3.78Å; V799-F804 HydrophobicContact CG2-CZ 4.43Å | ||
| 800 | P | 75.9 | Confident | 74.6 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 20% | 0.195 | 27% | 0.269 | C | S | . | . | trans | -62.2 | 141.4 | 179.4 | -18.7 | 29.4 | 0 | 0 | 0 | 112.1 | F793 W802 F803 | F793-P800 HydrophobicContact CD1-CG 4.45Å; F793-P800 HydrophobicContact CE1-CG 3.52Å; F793-P800 HydrophobicContact CE2-CG 4.49Å; F793-P800 HydrophobicContact CZ-CG 3.55Å; P800-W802 HydrophobicContact CB-CD2 4.11Å; P800-W802 HydrophobicContact CB-CG 4.11Å; P800-W802 HydrophobicContact CB-CZ2 4.04Å; P800-W802 HydrophobicContact CG-CZ2 3.86Å; P800-W802 PolarHBondContact O-N 2.92Å; P800-F803 VanDerWaalsContact O-CB 3.24Å; P800-F803 WeakPolarHBondContact O-CB 3.06Å; P800-F803 PolarHBondContact O-N 2.86Å | ||
| 801 | F | 80.3 | Confident | 75.1 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.2 | -34.5 | -179.5 | 81.9 | -87 | 0 | 0 | 0 | 113.2 | F803 F804 R805 I916 I920 | F801-F803 PolarHBondContact O-N 2.97Å; F801-F804 PolarHBondContact O-N 3.47Å; F801-F804 VanDerWaalsContact O-N 3.12Å; F801-R805 PolarHBondContact O-N 3.31Å; F801-I916 HydrophobicContact CD2-CG2 4.14Å; F801-I916 HydrophobicContact CE2-CG2 3.65Å; F801-I916 HydrophobicContact CZ-CD1 4.21Å; F801-I916 HydrophobicContact CZ-CG2 4.14Å; F801-I920 HydrophobicContact CD2-CD1 4.43Å |
| 802 | W | 83.5 | Confident | 75.7 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -26.5 | -179.5 | 59.7 | -105.6 | 0 | 0 | 0 | 112.3 | V749 K753 L789 F793 P800 R805 Y806 | V749-W802 HydrophobicContact CG1-CH2 4.4Å; V749-W802 HydrophobicContact CG1-CZ2 3.88Å; K753-W802 HydrophobicContact CB-CH2 4.41Å; L789-W802 HydrophobicContact CD1-CH2 3.86Å; L789-W802 HydrophobicContact CD1-CZ3 3.98Å; L789-W802 HydrophobicContact CD2-CH2 4.44Å; F793-W802 HydrophobicContact CZ-CH2 4.24Å; F793-W802 HydrophobicContact CZ-CZ2 4.28Å; P800-W802 HydrophobicContact CB-CD2 4.11Å; P800-W802 HydrophobicContact CB-CG 4.11Å; P800-W802 HydrophobicContact CB-CZ2 4.04Å; P800-W802 HydrophobicContact CG-CZ2 3.86Å; P800-W802 PolarHBondContact O-N 2.92Å; W802-R805 PolarHBondContact O-N 3.49Å; W802-Y806 HydrophobicContact CB-CD2 4.49Å; W802-Y806 HydrophobicContact CB-CE2 4.16Å; W802-Y806 HydrophobicContact CD2-CE2 4.47Å; W802-Y806 AromaticContact CE3-CD2 3.72Å; W802-Y806 HydrophobicContact CE3-CD2 3.72Å; W802-Y806 AromaticContact CE3-CE2 3.92Å; W802-Y806 HydrophobicContact CE3-CE2 3.92Å; W802-Y806 HydrophobicContact CZ3-CD2 4.46Å; W802-Y806 WeakPolarHBondContact O-CB 3.48Å; W802-Y806 VanDerWaalsContact O-CD2 3.31Å; W802-Y806 WeakPolarHBondContact O-CD2 3.41Å; W802-Y806 VanDerWaalsContact O-CG 3.29Å; W802-Y806 PolarHBondContact O-N 3.08Å |
| 803 | F | 84.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 174.7 | 175.5 | -91.4 | 0 | 0 | 0 | 111 | L786 L789 L790 F793 V799 P800 F801 R805 T807 L830 Y864 | L786-F803 HydrophobicContact CB-CE2 3.98Å; L786-F803 HydrophobicContact CB-CZ 4.49Å; L786-F803 HydrophobicContact CD2-CD2 3.69Å; L786-F803 HydrophobicContact CD2-CE2 3.71Å; L786-F803 HydrophobicContact CG-CE2 4.49Å; L786-F803 WeakPolarHBondContact O-CE2 3.25Å; L789-F803 HydrophobicContact CB-CE2 4.42Å; L790-F803 HydrophobicContact CD2-CE1 3.92Å; L790-F803 HydrophobicContact CD2-CE2 4.07Å; L790-F803 HydrophobicContact CD2-CZ 3.44Å; L790-F803 VanDerWaalsContact CD2-CZ 3.44Å; L790-F803 HydrophobicContact CG-CE2 4.37Å; L790-F803 HydrophobicContact CG-CZ 3.93Å; F793-F803 AromaticContact CE2-CD2 3.99Å; F793-F803 HydrophobicContact CE2-CD2 3.99Å; F793-F803 HydrophobicContact CE2-CG 4.38Å; V799-F803 HydrophobicContact CG1-CB 3.86Å; V799-F803 HydrophobicContact CG1-CD1 3.58Å; V799-F803 HydrophobicContact CG1-CE1 4.38Å; V799-F803 HydrophobicContact CG1-CG 3.83Å; P800-F803 VanDerWaalsContact O-CB 3.24Å; P800-F803 WeakPolarHBondContact O-CB 3.06Å; P800-F803 PolarHBondContact O-N 2.86Å; F801-F803 PolarHBondContact O-N 2.97Å; F803-R805 VanDerWaalsContact C-N 3.33Å; F803-T807 HydrophobicContact CE1-CG2 4.15Å; F803-T807 HydrophobicContact CZ-CG2 4.12Å; F803-T807 WeakPolarHBondContact O-CG2 3.23Å; F803-T807 PolarHBondContact O-N 3.43Å; F803-T807 VanDerWaalsContact O-N 3.1Å; F803-T807 PolarHBondContact O-OG1 2.97Å; F803-L830 HydrophobicContact CE1-CD2 4.49Å; F803-L830 HydrophobicContact CZ-CD2 3.86Å; F803-Y864 HydrophobicContact CE1-CE1 4.41Å |
| 804 | F | 84.7 | Confident | 77.1 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 177.2 | -64.1 | -68.9 | 0 | 0 | 0 | 112.1 | V799 F801 T807 G808 Y864 C867 A868 T871 | V799-F804 HydrophobicContact CB-CE2 3.71Å; V799-F804 HydrophobicContact CB-CZ 3.86Å; V799-F804 HydrophobicContact CG1-CD2 4.29Å; V799-F804 HydrophobicContact CG1-CE2 3.6Å; V799-F804 HydrophobicContact CG1-CZ 3.78Å; V799-F804 HydrophobicContact CG2-CZ 4.43Å; F801-F804 PolarHBondContact O-N 3.47Å; F801-F804 VanDerWaalsContact O-N 3.12Å; F804-T807 VanDerWaalsContact C-OG1 3.28Å; F804-T807 VanDerWaalsContact CA-OG1 3.26Å; F804-T807 WeakPolarHBondContact CA-OG1 3.38Å; F804-T807 PolarHBondContact O-OG1 2.88Å; F804-G808 PolarHBondContact O-N 2.88Å; F804-G808 VanDerWaalsContact O-N 3.13Å; F804-Y864 AromaticContact CD1-CD1 3.87Å; F804-Y864 HydrophobicContact CD1-CD1 3.87Å; F804-Y864 HydrophobicContact CD1-CE1 4.13Å; F804-C867 HydrophobicContact CB-CB 4.35Å; F804-C867 HydrophobicContact CD1-CB 3.62Å; F804-C867 HydrophobicContact CE1-CB 4.05Å; F804-C867 HydrophobicContact CG-CB 3.98Å; F804-A868 HydrophobicContact CB-CB 3.59Å; F804-T871 HydrophobicContact CD2-CG2 3.99Å; F804-T871 HydrophobicContact CE2-CG2 3.7Å |
| 805 | R | 85.4 | Confident | 77.8 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 24% | 0.242 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -51.8 | 175.8 | 179.4 | 177.6 | 176.1 | 156.3 | 2.3 | 111.6 | F801 W802 F803 G808 D809 A868 S919 | F801-R805 PolarHBondContact O-N 3.31Å; W802-R805 PolarHBondContact O-N 3.49Å; F803-R805 VanDerWaalsContact C-N 3.33Å; R805-G808 PolarHBondContact O-N 3.12Å; R805-D809 WeakPolarHBondContact CG-OD2 3.38Å; R805-D809 IonicContact NE-OD2 2.93Å; R805-D809 WeakPolarHBondContact O-CB 3.49Å; R805-D809 PolarHBondContact O-N 3.05Å; R805-A868 HydrophobicContact CB-CB 4.28Å; R805-S919 PolarHBondContact NH1-OG 3.29Å |
| 806 | Y | 88.1 | Confident | 78.7 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -41 | -176.6 | -70.4 | -26.3 | 0 | 0 | 0 | 113.1 | K753 V756 E757 I760 W802 G808 D809 I810 | K753-Y806 HydrophobicContact CG-CE2 4.3Å; V756-Y806 HydrophobicContact CG1-CD2 3.77Å; V756-Y806 HydrophobicContact CG1-CG 4.06Å; E757-Y806 VanDerWaalsContact CD-OH 3.29Å; E757-Y806 HydrophobicContact CG-CE1 4.32Å; E757-Y806 HydrophobicContact CG-CE2 3.85Å; E757-Y806 WeakPolarHBondContact CG-OH 3.42Å; E757-Y806 PolarHBondContact OE1-OH 2.89Å; I760-Y806 HydrophobicContact CD1-CD1 3.65Å; I760-Y806 HydrophobicContact CD1-CD2 4.48Å; I760-Y806 HydrophobicContact CD1-CE1 4.48Å; I760-Y806 HydrophobicContact CD1-CG 3.69Å; W802-Y806 HydrophobicContact CB-CD2 4.49Å; W802-Y806 HydrophobicContact CB-CE2 4.16Å; W802-Y806 HydrophobicContact CD2-CE2 4.47Å; W802-Y806 AromaticContact CE3-CD2 3.72Å; W802-Y806 HydrophobicContact CE3-CD2 3.72Å; W802-Y806 AromaticContact CE3-CE2 3.92Å; W802-Y806 HydrophobicContact CE3-CE2 3.92Å; W802-Y806 HydrophobicContact CZ3-CD2 4.46Å; W802-Y806 WeakPolarHBondContact O-CB 3.48Å; W802-Y806 VanDerWaalsContact O-CD2 3.31Å; W802-Y806 WeakPolarHBondContact O-CD2 3.41Å; W802-Y806 VanDerWaalsContact O-CG 3.29Å; W802-Y806 PolarHBondContact O-N 3.08Å; Y806-G808 VanDerWaalsContact C-N 3.33Å; Y806-G808 PolarHBondContact O-N 3.39Å; Y806-D809 PolarHBondContact O-N 3.19Å; Y806-I810 WeakPolarHBondContact O-CD1 3.49Å; Y806-I810 VanDerWaalsContact O-CG1 3.23Å; Y806-I810 WeakPolarHBondContact O-CG1 3.19Å; Y806-I810 PolarHBondContact O-N 3.32Å; Y806-I810 VanDerWaalsContact O-N 3.12Å |
| 807 | T | 85.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 171.5 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | L786 F803 F804 L811 L830 Y864 | L786-T807 HydrophobicContact CB-CG2 4.3Å; L786-T807 HydrophobicContact CD1-CG2 3.66Å; L786-T807 HydrophobicContact CD2-CG2 4.14Å; L786-T807 HydrophobicContact CG-CG2 4.24Å; F803-T807 HydrophobicContact CE1-CG2 4.15Å; F803-T807 HydrophobicContact CZ-CG2 4.12Å; F803-T807 WeakPolarHBondContact O-CG2 3.23Å; F803-T807 PolarHBondContact O-N 3.43Å; F803-T807 VanDerWaalsContact O-N 3.1Å; F803-T807 PolarHBondContact O-OG1 2.97Å; F804-T807 VanDerWaalsContact C-OG1 3.28Å; F804-T807 VanDerWaalsContact CA-OG1 3.26Å; F804-T807 WeakPolarHBondContact CA-OG1 3.38Å; F804-T807 PolarHBondContact O-OG1 2.88Å; T807-L811 WeakPolarHBondContact O-CG 3.42Å; T807-L811 PolarHBondContact O-N 3.16Å; T807-L830 HydrophobicContact CG2-CD2 4.28Å; T807-Y864 HydrophobicContact CG2-CD1 4.21Å; T807-Y864 HydrophobicContact CG2-CE1 4.06Å; T807-Y864 WeakPolarHBondContact OG1-CD1 3.42Å |
| 808 | G | 85 | Confident | 80.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F804 R805 Y806 I810 L811 S812 G861 | F804-G808 PolarHBondContact O-N 2.88Å; F804-G808 VanDerWaalsContact O-N 3.13Å; R805-G808 PolarHBondContact O-N 3.12Å; Y806-G808 VanDerWaalsContact C-N 3.33Å; Y806-G808 PolarHBondContact O-N 3.39Å; G808-I810 VanDerWaalsContact C-N 3.35Å; G808-I810 PolarHBondContact O-N 3.45Å; G808-L811 PolarHBondContact O-N 3.33Å; G808-S812 PolarHBondContact O-N 3.25Å; G808-S812 VanDerWaalsContact O-N 3.09Å; G808-G861 WeakPolarHBondContact CA-O 3.3Å |
| 809 | D | 84.6 | Confident | 80.3 | Confident | 21 Ų | 21 | 23.4 Ų | 23.4 | 11% | 0.112 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | -179.1 | -74.6 | -29.9 | 0 | 0 | 0 | 111.3 | R805 Y806 S812 L813 S923 | R805-D809 WeakPolarHBondContact CG-OD2 3.38Å; R805-D809 IonicContact NE-OD2 2.93Å; R805-D809 WeakPolarHBondContact O-CB 3.49Å; R805-D809 PolarHBondContact O-N 3.05Å; Y806-D809 PolarHBondContact O-N 3.19Å; D809-S812 PolarHBondContact O-N 3.36Å; D809-S812 PolarHBondContact O-OG 3.41Å; D809-L813 WeakPolarHBondContact O-CG 3.47Å; D809-L813 PolarHBondContact O-N 3.07Å; D809-S923 WeakPolarHBondContact OD1-CB 3.44Å; D809-S923 PolarHBondContact OD1-OG 3.45Å |
| 810 | I | 87 | Confident | 80 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 179.2 | -67.7 | 155.4 | 0 | 0 | 0 | 112.1 | I760 L779 T782 L786 Y806 G808 S812 L813 | I760-I810 HydrophobicContact CD1-CD1 3.89Å; I760-I810 HydrophobicContact CD1-CG1 4Å; I760-I810 HydrophobicContact CG1-CD1 3.63Å; I760-I810 HydrophobicContact CG1-CG1 3.53Å; L779-I810 HydrophobicContact CD1-CG2 4.01Å; L779-I810 HydrophobicContact CG-CG2 3.76Å; T782-I810 HydrophobicContact CG2-CD1 3.18Å; T782-I810 HydrophobicContact CG2-CG1 4.31Å; L786-I810 HydrophobicContact CD1-CD1 3.78Å; Y806-I810 WeakPolarHBondContact O-CD1 3.49Å; Y806-I810 VanDerWaalsContact O-CG1 3.23Å; Y806-I810 WeakPolarHBondContact O-CG1 3.19Å; Y806-I810 PolarHBondContact O-N 3.32Å; Y806-I810 VanDerWaalsContact O-N 3.12Å; G808-I810 VanDerWaalsContact C-N 3.35Å; G808-I810 PolarHBondContact O-N 3.45Å; I810-S812 PolarHBondContact O-N 3.06Å; I810-L813 WeakPolarHBondContact O-CB 3.43Å; I810-L813 PolarHBondContact O-N 3.47Å; I810-L813 VanDerWaalsContact O-N 3.13Å |
| 811 | L | 85.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -32.3 | -178.2 | -70.5 | 173.5 | 0 | 0 | 0 | 111.1 | L783 T807 G808 L813 L814 C857 L860 Y864 | L783-L811 HydrophobicContact CD2-CD2 4.49Å; T807-L811 WeakPolarHBondContact O-CG 3.42Å; T807-L811 PolarHBondContact O-N 3.16Å; G808-L811 PolarHBondContact O-N 3.33Å; L811-L813 VanDerWaalsContact C-N 3.26Å; L811-L813 PolarHBondContact O-N 2.9Å; L811-L814 HydrophobicContact CD2-CD1 4.31Å; L811-L814 WeakPolarHBondContact O-CB 3.43Å; L811-L814 PolarHBondContact O-N 2.91Å; L811-C857 WeakPolarHBondContact CB-O 3.35Å; L811-C857 HydrophobicContact CD2-CB 4.16Å; L811-L860 HydrophobicContact CD1-CB 3.75Å; L811-Y864 HydrophobicContact CD1-CD2 4.21Å |
| 812 | S | 83.9 | Confident | 79.2 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -24.6 | 175.2 | 78.9 | 0 | 0 | 0 | 0 | 114.3 | G808 D809 I810 L814 S815 N927 | G808-S812 PolarHBondContact O-N 3.25Å; G808-S812 VanDerWaalsContact O-N 3.09Å; D809-S812 PolarHBondContact O-N 3.36Å; D809-S812 PolarHBondContact O-OG 3.41Å; I810-S812 PolarHBondContact O-N 3.06Å; S812-L814 VanDerWaalsContact C-N 3.25Å; S812-L814 PolarHBondContact O-N 3.2Å; S812-S815 PolarHBondContact O-N 3.22Å; S812-S815 PolarHBondContact O-OG 3.44Å; S812-N927 VanDerWaalsContact CA-OD1 3.3Å; S812-N927 WeakPolarHBondContact CA-OD1 3.39Å; S812-N927 WeakPolarHBondContact CB-OD1 3.5Å |
| 813 | L | 82.4 | Confident | 78.9 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -69.5 | -21.1 | 179.6 | -65.2 | 170.3 | 0 | 0 | 0 | 113.4 | Q764 D809 I810 L811 S815 M816 | Q764-L813 HydrophobicContact CG-CD1 3.43Å; Q764-L813 VanDerWaalsContact CG-CD1 3.43Å; Q764-L813 HydrophobicContact CG-CD2 3.79Å; Q764-L813 HydrophobicContact CG-CG 4.26Å; D809-L813 WeakPolarHBondContact O-CG 3.47Å; D809-L813 PolarHBondContact O-N 3.07Å; I810-L813 WeakPolarHBondContact O-CB 3.43Å; I810-L813 PolarHBondContact O-N 3.47Å; I810-L813 VanDerWaalsContact O-N 3.13Å; L811-L813 VanDerWaalsContact C-N 3.26Å; L811-L813 PolarHBondContact O-N 2.9Å; L813-S815 PolarHBondContact O-N 3.25Å; L813-S815 VanDerWaalsContact O-N 3.15Å; L813-M816 HydrophobicContact CD2-CE 4.46Å; L813-M816 PolarHBondContact O-N 3.1Å |
| 814 | L | 82.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -66.6 | -14.7 | -178.9 | -70.4 | 167.9 | 0 | 0 | 0 | 113.8 | L776 L779 L811 S812 M816 I817 I824 I854 C857 | L776-L814 HydrophobicContact CD2-CD2 4.43Å; L779-L814 HydrophobicContact CD1-CD1 4.1Å; L779-L814 HydrophobicContact CD1-CD2 3.46Å; L779-L814 VanDerWaalsContact CD1-CD2 3.46Å; L779-L814 HydrophobicContact CD1-CG 3.75Å; L811-L814 HydrophobicContact CD2-CD1 4.31Å; L811-L814 WeakPolarHBondContact O-CB 3.43Å; L811-L814 PolarHBondContact O-N 2.91Å; S812-L814 VanDerWaalsContact C-N 3.25Å; S812-L814 PolarHBondContact O-N 3.2Å; L814-M816 PolarHBondContact O-N 3.03Å; L814-M816 VanDerWaalsContact O-N 3.09Å; L814-I817 HydrophobicContact CD2-CD1 4.13Å; L814-I817 PolarHBondContact O-N 3.18Å; L814-I824 HydrophobicContact CD1-CD1 3.34Å; L814-I824 HydrophobicContact CD2-CD1 3.37Å; L814-I824 HydrophobicContact CG-CD1 3.89Å; L814-I854 HydrophobicContact CB-CG2 4.26Å; L814-C857 HydrophobicContact CD1-CB 3.54Å |
| 815 | S | 74.1 | Confident | 78.5 | Confident | 19 Ų | 19 | 33.7 Ų | 33.7 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -58.3 | -17.7 | 173 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | S812 L813 I817 N930 | S812-S815 PolarHBondContact O-N 3.22Å; S812-S815 PolarHBondContact O-OG 3.44Å; L813-S815 PolarHBondContact O-N 3.25Å; L813-S815 VanDerWaalsContact O-N 3.15Å; S815-I817 VanDerWaalsContact C-N 3.31Å; S815-I817 PolarHBondContact O-N 3.49Å; S815-N930 PolarHBondContact OG-ND2 2.92Å |
| 816 | M | 73.4 | Confident | 78.4 | Confident | 57 Ų | 57 | 30.7 Ų | 30.7 | 28% | 0.281 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -75.8 | -12.8 | 178.6 | -61.4 | -170.9 | -176.9 | 0 | 0 | 114.2 | M767 Y768 L813 L814 F1210 | M767-M816 HydrophobicContact CB-SD 3.76Å; Y768-M816 HydrophobicContact CD1-CE 4.3Å; Y768-M816 HydrophobicContact CE1-CE 3.75Å; Y768-M816 HydrophobicContact CE2-CE 4.45Å; L813-M816 HydrophobicContact CD2-CE 4.46Å; L813-M816 PolarHBondContact O-N 3.1Å; L814-M816 PolarHBondContact O-N 3.03Å; L814-M816 VanDerWaalsContact O-N 3.09Å; M816-F1210 WeakPolarHBondContact O-CD1 3.25Å |
| 817 | I | 73 | Confident | 78.1 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | trans | -102.8 | 111.5 | -173.1 | -58.5 | 172.7 | 0 | 0 | 0 | 110.4 | M767 L776 L814 S815 D819 L822 I854 Y934 | M767-I817 HydrophobicContact CE-CD1 4.22Å; M767-I817 HydrophobicContact SD-CD1 4.27Å; M767-I817 HydrophobicContact SD-CG1 4.42Å; L776-I817 HydrophobicContact CD2-CD1 3.89Å; L814-I817 HydrophobicContact CD2-CD1 4.13Å; L814-I817 PolarHBondContact O-N 3.18Å; S815-I817 VanDerWaalsContact C-N 3.31Å; S815-I817 PolarHBondContact O-N 3.49Å; I817-D819 VanDerWaalsContact C-N 3.29Å; I817-D819 HydrophobicContact CG2-CB 4.19Å; I817-D819 PolarHBondContact O-N 3.16Å; I817-L822 HydrophobicContact CD1-CD2 4.18Å; I817-L822 HydrophobicContact CG2-CD2 3.95Å; I817-I854 HydrophobicContact CB-CD1 3.98Å; I817-I854 HydrophobicContact CG2-CD1 3.95Å; I817-I854 WeakPolarHBondContact O-CD1 3.34Å; I817-Y934 WeakPolarHBondContact O-CE2 3.45Å | ||
| 818 | D | 67.1 | Low | 77.6 | Confident | 29 Ų | 29 | 29.3 Ų | 29.3 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | trans | -83.9 | 58.8 | 178.9 | -63.9 | -41.9 | 0 | 0 | 0 | 112.8 | R937 | D818-R937 IonicContact OD1-CZ 2.65Å; D818-R937 IonicContact OD1-NH1 3.09Å; D818-R937 PolarHBondContact OD1-NH1 3.39Å; D818-R937 IonicContact OD2-CZ 2.82Å; D818-R937 IonicContact OD2-NE 2.97Å; D818-R937 IonicContact OD2-NH1 3.72Å; D818-R937 PolarHBondContact OD2-NH1 3.5Å; D818-R937 IonicContact OD2-NH2 3.02Å; D818-R937 PolarHBondContact OD2-NH2 2.94Å | ||
| 819 | D | 68.3 | Low | 77.1 | Confident | 29 Ų | 29 | 31.5 Ų | 31.5 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | trans | -132.5 | 102 | 173.6 | -170.2 | -3.5 | 0 | 0 | 0 | 112.1 | I817 E821 L822 I854 Y934 | I817-D819 VanDerWaalsContact C-N 3.29Å; I817-D819 HydrophobicContact CG2-CB 4.19Å; I817-D819 PolarHBondContact O-N 3.16Å; D819-E821 PolarHBondContact O-N 3.42Å; D819-E821 WeakPolarHBondContact OD1-CB 3.4Å; D819-E821 PolarHBondContact OD1-N 3.47Å; D819-L822 HydrophobicContact CB-CB 4.02Å; D819-L822 PolarHBondContact O-N 3.5Å; D819-I854 VanDerWaalsContact O-CD1 3.28Å; D819-I854 WeakPolarHBondContact O-CD1 3.24Å; D819-Y934 PolarHBondContact O-OH 2.91Å | ||
| 820 | P | 64.6 | Low | 76.7 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 41% | 0.409 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.9 | 178.7 | 29.1 | -34.3 | 0 | 0 | 0 | 113.3 | Y934 | P820-Y934 WeakPolarHBondContact CA-OH 3.26Š|
| 821 | E | 65.9 | Low | 75.9 | Confident | 148 Ų | 148 | 31.1 Ų | 31.1 | 69% | 0.692 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.6 | 178.1 | -62.5 | -176.1 | 176.2 | 0 | 0 | 112.5 | D819 L823 | D819-E821 PolarHBondContact O-N 3.42Å; D819-E821 WeakPolarHBondContact OD1-CB 3.4Å; D819-E821 PolarHBondContact OD1-N 3.47Å; E821-L823 PolarHBondContact O-N 2.68Å |
| 822 | L | 73.6 | Confident | 75 | Confident | 46 Ų | 46 | 32.2 Ų | 32.2 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | trans | -71.2 | 120.6 | -178.7 | -173.5 | 68.5 | 0 | 0 | 0 | 111.3 | I817 D819 I854 | I817-L822 HydrophobicContact CD1-CD2 4.18Å; I817-L822 HydrophobicContact CG2-CD2 3.95Å; D819-L822 HydrophobicContact CB-CB 4.02Å; D819-L822 PolarHBondContact O-N 3.5Å; L822-I854 HydrophobicContact CB-CD1 4.15Å; L822-I854 HydrophobicContact CB-CG1 4.43Å; L822-I854 HydrophobicContact CD2-CD1 4.17Å | ||
| 823 | L | 76.8 | Confident | 74.1 | Confident | 84 Ų | 84 | 33 Ų | 33 | 44% | 0.44 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.1 | 175 | -63.2 | 174.4 | 0 | 0 | 0 | 110.4 | E821 K851 N853 | E821-L823 PolarHBondContact O-N 2.68Å; L823-K851 HydrophobicContact CB-CB 4.13Å; L823-K851 HydrophobicContact CB-CG 4.47Å; L823-K851 HydrophobicContact CD1-CB 4.35Å; L823-K851 HydrophobicContact CD1-CD 4.45Å; L823-N853 HydrophobicContact CD2-CB 4.2Å |
| 824 | I | 81.1 | Confident | 72.9 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.3 | -176.7 | -61.8 | 166.5 | 0 | 0 | 0 | 109.4 | L779 L814 V826 K851 V852 I854 | L779-I824 HydrophobicContact CD2-CG2 4.01Å; L814-I824 HydrophobicContact CD1-CD1 3.34Å; L814-I824 HydrophobicContact CD2-CD1 3.37Å; L814-I824 HydrophobicContact CG-CD1 3.89Å; I824-V826 HydrophobicContact CG2-CG2 4.33Å; I824-V826 PolarHBondContact O-N 3.44Å; I824-K851 WeakPolarHBondContact O-CA 3.46Å; I824-V852 PolarHBondContact N-O 3.47Å; I824-V852 PolarHBondContact O-N 2.94Å; I824-I854 HydrophobicContact CD1-CG1 4.23Å |
| 825 | D | 80.8 | Confident | 71.7 | Confident | 56 Ų | 56 | 38.3 Ų | 38.3 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 104.8 | 177.1 | -68.7 | -36.5 | 0 | 0 | 0 | 110.8 | T849 I850 K851 | D825-T849 HydrophobicContact CB-CG2 4.38Å; D825-I850 WeakPolarHBondContact CA-O 2.91Å; D825-K851 WeakPolarHBondContact OD1-CE 3.39Å; D825-K851 WeakPolarHBondContact OD1-CG 3.34Å |
| 826 | V | 81.6 | Confident | 70.6 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.4 | 176 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | L783 I824 T828 V831 T849 I850 V852 | L783-V826 HydrophobicContact CD1-CG2 4.4Å; I824-V826 HydrophobicContact CG2-CG2 4.33Å; I824-V826 PolarHBondContact O-N 3.44Å; V826-T828 PolarHBondContact O-N 2.83Å; V826-V831 HydrophobicContact CG1-CG2 3.93Å; V826-T849 CarbonylContact O-C 3.59Å; V826-T849 WeakPolarHBondContact O-CA 3.4Å; V826-I850 PolarHBondContact N-O 3.04Å; V826-I850 PolarHBondContact O-N 3.17Å; V826-V852 HydrophobicContact CB-CG2 4.11Å; V826-V852 HydrophobicContact CG2-CB 4.07Å; V826-V852 HydrophobicContact CG2-CG2 4.11Å |
| 827 | P | 82.2 | Confident | 69.4 | Low | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 128.1 | 174.8 | -27.1 | 33.3 | 0 | 0 | 0 | 113.3 | L783 N787 R829 L830 V831 | L783-P827 HydrophobicContact CB-CG 4.21Å; N787-P827 HydrophobicContact CB-CB 4.03Å; N787-P827 HydrophobicContact CB-CG 4.05Å; P827-R829 PolarHBondContact O-N 2.98Å; P827-R829 VanDerWaalsContact O-N 3.13Å; P827-L830 HydrophobicContact CB-CD1 4.12Å; P827-L830 HydrophobicContact CB-CG 4.22Å; P827-L830 HydrophobicContact CG-CD1 3.93Å; P827-L830 WeakPolarHBondContact O-CB 3.37Å; P827-L830 PolarHBondContact O-N 3.33Å; P827-V831 PolarHBondContact O-N 3.48Å |
| 828 | T | 75.1 | Confident | 68.1 | Low | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.4 | -38.5 | 179 | 48.3 | 0 | 0 | 0 | 0 | 113 | V826 L830 V831 S832 K844 E848 I850 | V826-T828 PolarHBondContact O-N 2.83Å; T828-L830 PolarHBondContact O-N 3.44Å; T828-V831 CarbonylContact O-C 3.52Å; T828-V831 PolarHBondContact O-N 3.26Å; T828-V831 VanDerWaalsContact O-N 3.11Å; T828-S832 PolarHBondContact O-N 3.34Å; T828-S832 PolarHBondContact O-OG 3.47Å; T828-K844 HydrophobicContact CG2-CD 4.35Å; T828-E848 WeakPolarHBondContact CB-O 3.27Å; T828-E848 HydrophobicContact CG2-CB 3.7Å; T828-E848 WeakPolarHBondContact CG2-O 3.32Å; T828-E848 PolarHBondContact N-O 3.17Å; T828-E848 PolarHBondContact OG1-O 3.17Å; T828-I850 HydrophobicContact CG2-CD1 3.63Å; T828-I850 HydrophobicContact CG2-CG1 3.57Å |
| 829 | R | 74.3 | Confident | 67.1 | Low | 47 Ų | 47 | 52.2 Ų | 52.2 | 18% | 0.177 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | -179.9 | -71.2 | -177.9 | 178.2 | -171.9 | -5.8 | 112.8 | N787 L790 N791 P827 V831 S832 L833 K844 | N787-R829 WeakPolarHBondContact OD1-CB 3.47Å; N787-R829 WeakPolarHBondContact OD1-CD 3.5Å; L790-R829 HydrophobicContact CD1-CB 4.08Å; N791-R829 PolarHBondContact OD1-NH1 2.78Å; P827-R829 PolarHBondContact O-N 2.98Å; P827-R829 VanDerWaalsContact O-N 3.13Å; R829-V831 VanDerWaalsContact C-N 3.26Å; R829-V831 PolarHBondContact O-N 3.29Å; R829-S832 VanDerWaalsContact CA-OG 3.27Å; R829-S832 WeakPolarHBondContact CA-OG 3.27Å; R829-S832 PolarHBondContact O-N 3.32Å; R829-S832 PolarHBondContact O-OG 3.27Å; R829-L833 WeakPolarHBondContact O-CG 3.13Å; R829-L833 PolarHBondContact O-N 3.35Å; R829-K844 PolarHBondContact NE-O 3.47Å; R829-K844 VanDerWaalsContact NE-O 3.16Å; R829-K844 PolarHBondContact NH2-O 3.39Å |
| 830 | L | 76.3 | Confident | 66.2 | Low | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -34.2 | 175.4 | -67.9 | 174.8 | 0 | 0 | 0 | 111 | L783 L790 F803 T807 P827 T828 L833 Y864 | L783-L830 HydrophobicContact CB-CD1 4.47Å; L783-L830 HydrophobicContact CD2-CD1 3.97Å; L790-L830 HydrophobicContact CD1-CD2 4.01Å; F803-L830 HydrophobicContact CE1-CD2 4.49Å; F803-L830 HydrophobicContact CZ-CD2 3.86Å; T807-L830 HydrophobicContact CG2-CD2 4.28Å; P827-L830 HydrophobicContact CB-CD1 4.12Å; P827-L830 HydrophobicContact CB-CG 4.22Å; P827-L830 HydrophobicContact CG-CD1 3.93Å; P827-L830 WeakPolarHBondContact O-CB 3.37Å; P827-L830 PolarHBondContact O-N 3.33Å; T828-L830 PolarHBondContact O-N 3.44Å; L830-L833 HydrophobicContact CD2-CD1 4.34Å; L830-Y864 VanDerWaalsContact C-OH 3.25Å; L830-Y864 VanDerWaalsContact CA-OH 3.27Å; L830-Y864 WeakPolarHBondContact CA-OH 3.3Å; L830-Y864 WeakPolarHBondContact CB-OH 3.37Å; L830-Y864 PolarHBondContact O-OH 2.85Å |
| 831 | V | 70.4 | Confident | 65.4 | Low | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.5 | -38.7 | 173.9 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | V826 P827 T828 R829 M834 L860 I954 F958 | V826-V831 HydrophobicContact CG1-CG2 3.93Å; P827-V831 PolarHBondContact O-N 3.48Å; T828-V831 CarbonylContact O-C 3.52Å; T828-V831 PolarHBondContact O-N 3.26Å; T828-V831 VanDerWaalsContact O-N 3.11Å; R829-V831 VanDerWaalsContact C-N 3.26Å; R829-V831 PolarHBondContact O-N 3.29Å; V831-M834 WeakPolarHBondContact O-CB 3.48Å; V831-M834 WeakPolarHBondContact O-CG 3.47Å; V831-M834 PolarHBondContact O-N 3.1Å; V831-L860 HydrophobicContact CG2-CD1 4.25Å; V831-I954 HydrophobicContact CG1-CG2 3.57Å; V831-F958 HydrophobicContact CG1-CE2 4.19Å; V831-F958 HydrophobicContact CG1-CZ 4.33Å |
| 832 | S | 66.5 | Low | 64.4 | Low | 26 Ų | 26 | 54.1 Ų | 54.1 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.2 | -26.4 | -177 | 68.4 | 0 | 0 | 0 | 0 | 115.2 | T828 R829 M834 N835 | T828-S832 PolarHBondContact O-N 3.34Å; T828-S832 PolarHBondContact O-OG 3.47Å; R829-S832 VanDerWaalsContact CA-OG 3.27Å; R829-S832 WeakPolarHBondContact CA-OG 3.27Å; R829-S832 PolarHBondContact O-N 3.32Å; R829-S832 PolarHBondContact O-OG 3.27Å; S832-M834 PolarHBondContact O-N 3.48Å; S832-N835 PolarHBondContact O-N 2.94Å |
| 833 | L | 64.8 | Low | 62.8 | Low | 31 Ų | 31 | 57.1 Ų | 57.1 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -53.5 | -24.1 | 175.3 | -88.1 | 166.3 | 0 | 0 | 0 | 112.8 | L790 R829 L830 N835 G836 L840 | L790-L833 HydrophobicContact CD1-CD1 3.65Å; L790-L833 HydrophobicContact CD2-CD1 3.52Å; L790-L833 HydrophobicContact CG-CD1 4.22Å; R829-L833 WeakPolarHBondContact O-CG 3.13Å; R829-L833 PolarHBondContact O-N 3.35Å; L830-L833 HydrophobicContact CD2-CD1 4.34Å; L833-N835 VanDerWaalsContact C-N 3.3Å; L833-N835 PolarHBondContact O-N 3.4Å; L833-G836 PolarHBondContact O-N 3.37Å; L833-L840 HydrophobicContact CD2-CD1 3.77Å; L833-L840 HydrophobicContact CD2-CD2 3.75Å; L833-L840 HydrophobicContact CD2-CG 3.82Å; L833-L840 HydrophobicContact CG-CD2 4.28Å |
| 834 | M | 58.3 | Low | 61.7 | Low | 50 Ų | 50 | 57.6 Ų | 57.6 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -64.9 | -30.5 | 177.8 | -59 | -74.3 | -68.9 | 0 | 0 | 113 | V831 S832 G836 L860 I863 | V831-M834 WeakPolarHBondContact O-CB 3.48Å; V831-M834 WeakPolarHBondContact O-CG 3.47Å; V831-M834 PolarHBondContact O-N 3.1Å; S832-M834 PolarHBondContact O-N 3.48Å; M834-G836 PolarHBondContact O-N 3.26Å; M834-L860 HydrophobicContact CE-CD2 4.45Å; M834-I863 HydrophobicContact CE-CB 3.65Å; M834-I863 HydrophobicContact CE-CD1 3.4Å; M834-I863 HydrophobicContact CE-CG1 4.04Å; M834-I863 HydrophobicContact CE-CG2 3.16Å; M834-I863 HydrophobicContact SD-CB 4.31Å; M834-I863 HydrophobicContact SD-CG2 3.69Å |
| 835 | N | 56.9 | Low | 60.4 | Low | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -81.8 | -0.4 | 179.1 | -65.4 | -6.4 | 0 | 0 | 0 | 112.6 | S832 L833 Y839 | S832-N835 PolarHBondContact O-N 2.94Å; L833-N835 VanDerWaalsContact C-N 3.3Å; L833-N835 PolarHBondContact O-N 3.4Å; N835-Y839 HydrophobicContact CB-CD2 3.61Å; N835-Y839 HydrophobicContact CB-CE2 3.7Å; N835-Y839 HydrophobicContact CB-CG 4.33Å; N835-Y839 WeakPolarHBondContact O-CD2 3.29Å; N835-Y839 WeakPolarHBondContact O-CE2 3.35Å |
| 836 | G | 51.5 | Low | 59.3 | Low | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | trans | 113.9 | 152.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L833 M834 Q838 Y839 | L833-G836 PolarHBondContact O-N 3.37Å; M834-G836 PolarHBondContact O-N 3.26Å; G836-Q838 PolarHBondContact O-N 3.31Å; G836-Y839 PolarHBondContact O-N 3.26Å | ||
| 837 | A | 48.2 | Very low | 58.3 | Low | 75 Ų | 75 | 69.5 Ų | 69.5 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -60.8 | -19.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y839 L840 | A837-Y839 PolarHBondContact O-N 3.04Å; A837-L840 WeakPolarHBondContact O-CB 3.31Å; A837-L840 PolarHBondContact O-N 3.1Å; A837-L840 VanDerWaalsContact O-N 3.15Å |
| 838 | Q | 44.9 | Very low | 57.8 | Low | 170 Ų | 170 | 73 Ų | 73 | 79% | 0.794 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -63.4 | -25.3 | 174.8 | -70.7 | 175.9 | -14.5 | 0 | 0 | 112.5 | G836 L840 S841 | G836-Q838 PolarHBondContact O-N 3.31Å; Q838-L840 VanDerWaalsContact C-N 3.25Å; Q838-L840 PolarHBondContact O-N 3.17Å; Q838-S841 PolarHBondContact O-N 2.75Å; Q838-S841 PolarHBondContact O-OG 3.23Å |
| 839 | Y | 47.9 | Very low | 57.9 | Low | 128 Ų | 128 | 75.9 Ų | 75.9 | 50% | 0.502 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -77.3 | -3.8 | 175.5 | -75 | -81.9 | 0 | 0 | 0 | 114 | N835 G836 A837 S841 | N835-Y839 HydrophobicContact CB-CD2 3.61Å; N835-Y839 HydrophobicContact CB-CE2 3.7Å; N835-Y839 HydrophobicContact CB-CG 4.33Å; N835-Y839 WeakPolarHBondContact O-CD2 3.29Å; N835-Y839 WeakPolarHBondContact O-CE2 3.35Å; G836-Y839 PolarHBondContact O-N 3.26Å; A837-Y839 PolarHBondContact O-N 3.04Å; Y839-S841 VanDerWaalsContact C-N 3.34Å |
| 840 | L | 49.2 | Very low | 57.9 | Low | 47 Ų | 47 | 74.7 Ų | 74.7 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -72.6 | -26.4 | 171.7 | -74 | 167.3 | 0 | 0 | 0 | 112.6 | L833 A837 Q838 | L833-L840 HydrophobicContact CD2-CD1 3.77Å; L833-L840 HydrophobicContact CD2-CD2 3.75Å; L833-L840 HydrophobicContact CD2-CG 3.82Å; L833-L840 HydrophobicContact CG-CD2 4.28Å; A837-L840 WeakPolarHBondContact O-CB 3.31Å; A837-L840 PolarHBondContact O-N 3.1Å; A837-L840 VanDerWaalsContact O-N 3.15Å; Q838-L840 VanDerWaalsContact C-N 3.25Å; Q838-L840 PolarHBondContact O-N 3.17Å |
| 841 | S | 47.5 | Very low | 57.9 | Low | 98 Ų | 98 | 80.8 Ų | 80.8 | 69% | 0.685 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -26 | -178.5 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | Q838 Y839 | Q838-S841 PolarHBondContact O-N 2.75Å; Q838-S841 PolarHBondContact O-OG 3.23Å; Y839-S841 VanDerWaalsContact C-N 3.34Å |
| 842 | E | 43.6 | Very low | 58.1 | Low | 135 Ų | 135 | 81 Ų | 81 | 63% | 0.631 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -111 | 107.1 | -174.4 | -70.6 | -176.6 | 170.6 | 0 | 0 | 111.2 | ||
| 843 | S | 41.5 | Very low | 58.5 | Low | 108 Ų | 108 | 80.8 Ų | 80.8 | 76% | 0.755 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 57.6 | 99.9 | 156.1 | 65.1 | 0 | 0 | 0 | 0 | 117.9 | ||
| 844 | K | 52.3 | Low | 59.2 | Low | 94 Ų | 94 | 79.4 Ų | 79.4 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | trans | -179.4 | 137.4 | 131.7 | -93.4 | 172.3 | -167.8 | -178 | 0 | 109.3 | T828 R829 E848 | T828-K844 HydrophobicContact CG2-CD 4.35Å; R829-K844 PolarHBondContact NE-O 3.47Å; R829-K844 VanDerWaalsContact NE-O 3.16Å; R829-K844 PolarHBondContact NH2-O 3.39Å; K844-E848 VanDerWaalsContact CG-OE2 3.28Å; K844-E848 WeakPolarHBondContact CG-OE2 3.26Å | ||
| 845 | K | 54.8 | Low | 59.9 | Low | 148 Ų | 148 | 77.2 Ų | 77.2 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | trans | -62.6 | 147.3 | -178.2 | -74.5 | 179.5 | 179.8 | 176.4 | 0 | 109.8 | T847 E848 | K845-T847 PolarHBondContact O-N 3.48Å; K845-E848 PolarHBondContact N-OE1 2.8Å; K845-E848 PolarHBondContact O-N 2.7Å | ||
| 846 | P | 58 | Low | 60.8 | Low | 64 Ų | 64 | 74.8 Ų | 74.8 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -15.6 | 179 | 23.3 | -31.9 | 0 | 0 | 0 | 113.6 | N787 | N787-P846 PolarHBondContact ND2-O 3.22Š|
| 847 | T | 59.4 | Low | 62.2 | Low | 111 Ų | 111 | 73.3 Ų | 73.3 | 68% | 0.681 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -7.5 | -175 | 52 | 0 | 0 | 0 | 0 | 115.2 | K845 T849 | K845-T847 PolarHBondContact O-N 3.48Å; T847-T849 PolarHBondContact O-N 3.38Å |
| 848 | E | 72.6 | Confident | 63.8 | Low | 76 Ų | 76 | 69.8 Ų | 69.8 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | trans | -79.7 | 120.1 | -176.4 | -69.2 | 172.1 | -144.7 | 0 | 0 | 111.4 | T828 K844 K845 | T828-E848 WeakPolarHBondContact CB-O 3.27Å; T828-E848 HydrophobicContact CG2-CB 3.7Å; T828-E848 WeakPolarHBondContact CG2-O 3.32Å; T828-E848 PolarHBondContact N-O 3.17Å; T828-E848 PolarHBondContact OG1-O 3.17Å; K844-E848 VanDerWaalsContact CG-OE2 3.28Å; K844-E848 WeakPolarHBondContact CG-OE2 3.26Å; K845-E848 PolarHBondContact N-OE1 2.8Å; K845-E848 PolarHBondContact O-N 2.7Å | ||
| 849 | T | 76.6 | Confident | 65.4 | Low | 66 Ų | 66 | 62.9 Ų | 62.9 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 150.4 | 173.3 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | D825 V826 T847 | D825-T849 HydrophobicContact CB-CG2 4.38Å; V826-T849 CarbonylContact O-C 3.59Å; V826-T849 WeakPolarHBondContact O-CA 3.4Å; T847-T849 PolarHBondContact O-N 3.38Å |
| 850 | I | 75.6 | Confident | 67 | Low | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.6 | 171.9 | -67.2 | 162.9 | 0 | 0 | 0 | 107.8 | D825 V826 T828 V852 L951 I954 | D825-I850 WeakPolarHBondContact CA-O 2.91Å; V826-I850 PolarHBondContact N-O 3.04Å; V826-I850 PolarHBondContact O-N 3.17Å; T828-I850 HydrophobicContact CG2-CD1 3.63Å; T828-I850 HydrophobicContact CG2-CG1 3.57Å; I850-V852 HydrophobicContact CB-CG2 4.15Å; I850-V852 HydrophobicContact CG2-CG2 3.67Å; I850-L951 HydrophobicContact CD1-CD2 3.96Å; I850-L951 HydrophobicContact CG1-CD2 4.28Å; I850-L951 HydrophobicContact CG2-CD1 3.81Å; I850-L951 HydrophobicContact CG2-CD2 3.7Å; I850-L951 HydrophobicContact CG2-CG 4.26Å; I850-I954 HydrophobicContact CD1-CD1 3.48Å; I850-I954 VanDerWaalsContact CD1-CD1 3.48Å |
| 851 | K | 75.7 | Confident | 68.6 | Low | 131 Ų | 131 | 54.7 Ų | 54.7 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 113 | 170.7 | -77.5 | -176.5 | -178.6 | -171.4 | 0 | 110.1 | L823 I824 D825 | L823-K851 HydrophobicContact CB-CB 4.13Å; L823-K851 HydrophobicContact CB-CG 4.47Å; L823-K851 HydrophobicContact CD1-CB 4.35Å; L823-K851 HydrophobicContact CD1-CD 4.45Å; I824-K851 WeakPolarHBondContact O-CA 3.46Å; D825-K851 WeakPolarHBondContact OD1-CE 3.39Å; D825-K851 WeakPolarHBondContact OD1-CG 3.34Å |
| 852 | V | 75.2 | Confident | 70.3 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136 | -171.7 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | I824 V826 I850 T856 L860 | I824-V852 PolarHBondContact N-O 3.47Å; I824-V852 PolarHBondContact O-N 2.94Å; V826-V852 HydrophobicContact CB-CG2 4.11Å; V826-V852 HydrophobicContact CG2-CB 4.07Å; V826-V852 HydrophobicContact CG2-CG2 4.11Å; I850-V852 HydrophobicContact CB-CG2 4.15Å; I850-V852 HydrophobicContact CG2-CG2 3.67Å; V852-T856 WeakPolarHBondContact CG1-OG1 3.25Å; V852-L860 HydrophobicContact CG1-CD1 4.41Å |
| 853 | N | 74.8 | Confident | 72.2 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 164.7 | 178.3 | 74.9 | 15.8 | 0 | 0 | 0 | 111.1 | L823 V855 T856 C857 | L823-N853 HydrophobicContact CD2-CB 4.2Å; N853-V855 VanDerWaalsContact C-N 3.29Å; N853-V855 PolarHBondContact O-N 3.37Å; N853-V855 PolarHBondContact OD1-N 3.47Å; N853-T856 PolarHBondContact N-OG1 3.01Å; N853-T856 VanDerWaalsContact N-OG1 3.11Å; N853-T856 PolarHBondContact O-N 3.06Å; N853-T856 PolarHBondContact O-OG1 3.39Å; N853-T856 WeakPolarHBondContact OD1-CB 3.36Å; N853-T856 WeakPolarHBondContact OD1-CG2 3.47Å; N853-T856 PolarHBondContact OD1-N 3.25Å; N853-T856 PolarHBondContact OD1-OG1 3.48Å; N853-C857 PolarHBondContact O-N 2.83Å; N853-C857 PolarHBondContact O-SG 3.19Å |
| 854 | I | 79.1 | Confident | 74.3 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | -177.5 | -64.4 | -175.7 | 0 | 0 | 0 | 112 | L814 I817 D819 L822 I824 T856 C857 L858 Y934 | L814-I854 HydrophobicContact CB-CG2 4.26Å; I817-I854 HydrophobicContact CB-CD1 3.98Å; I817-I854 HydrophobicContact CG2-CD1 3.95Å; I817-I854 WeakPolarHBondContact O-CD1 3.34Å; D819-I854 VanDerWaalsContact O-CD1 3.28Å; D819-I854 WeakPolarHBondContact O-CD1 3.24Å; L822-I854 HydrophobicContact CB-CD1 4.15Å; L822-I854 HydrophobicContact CB-CG1 4.43Å; L822-I854 HydrophobicContact CD2-CD1 4.17Å; I824-I854 HydrophobicContact CD1-CG1 4.23Å; I854-T856 PolarHBondContact O-N 3.42Å; I854-C857 WeakPolarHBondContact O-CB 3.49Å; I854-C857 PolarHBondContact O-N 3.01Å; I854-L858 HydrophobicContact CG2-CD1 4.23Å; I854-L858 HydrophobicContact CG2-CG 4.46Å; I854-L858 WeakPolarHBondContact O-CG 3.48Å; I854-L858 PolarHBondContact O-N 3.12Å; I854-Y934 HydrophobicContact CB-CE1 4.36Å; I854-Y934 HydrophobicContact CG2-CE1 4.18Å; I854-Y934 HydrophobicContact CG2-CE2 4.11Å |
| 855 | V | 73 | Confident | 75.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.1 | -39.3 | -176.2 | -165.9 | 0 | 0 | 0 | 0 | 112.2 | N853 C857 L858 H859 Y934 I935 I940 F945 | N853-V855 VanDerWaalsContact C-N 3.29Å; N853-V855 PolarHBondContact O-N 3.37Å; N853-V855 PolarHBondContact OD1-N 3.47Å; V855-C857 VanDerWaalsContact C-N 3.29Å; V855-C857 PolarHBondContact O-N 3.42Å; V855-L858 PolarHBondContact O-N 3.45Å; V855-L858 VanDerWaalsContact O-N 3.17Å; V855-H859 PolarHBondContact O-CD2 2.98Å; V855-H859 PolarHBondContact O-N 2.98Å; V855-Y934 HydrophobicContact CG2-CD1 3.64Å; V855-Y934 HydrophobicContact CG2-CE1 3.51Å; V855-I935 HydrophobicContact CG1-CD1 4.2Å; V855-I935 HydrophobicContact CG1-CG1 4.2Å; V855-I940 HydrophobicContact CG2-CD1 3.85Å; V855-F945 HydrophobicContact CB-CE1 3.74Å; V855-F945 HydrophobicContact CB-CZ 3.45Å; V855-F945 VanDerWaalsContact CB-CZ 3.45Å; V855-F945 HydrophobicContact CG1-CE1 3.94Å; V855-F945 HydrophobicContact CG1-CZ 3.42Å; V855-F945 VanDerWaalsContact CG1-CZ 3.42Å; V855-F945 HydrophobicContact CG2-CE1 4.47Å; V855-F945 HydrophobicContact CG2-CZ 3.85Å |
| 856 | T | 74.9 | Confident | 77.2 | Confident | 25 Ų | 25 | 32.8 Ų | 32.8 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -33.3 | 174.5 | 45 | 0 | 0 | 0 | 0 | 111.4 | V852 N853 I854 H859 L860 F945 F958 | V852-T856 WeakPolarHBondContact CG1-OG1 3.25Å; N853-T856 PolarHBondContact N-OG1 3.01Å; N853-T856 VanDerWaalsContact N-OG1 3.11Å; N853-T856 PolarHBondContact O-N 3.06Å; N853-T856 PolarHBondContact O-OG1 3.39Å; N853-T856 WeakPolarHBondContact OD1-CB 3.36Å; N853-T856 WeakPolarHBondContact OD1-CG2 3.47Å; N853-T856 PolarHBondContact OD1-N 3.25Å; N853-T856 PolarHBondContact OD1-OG1 3.48Å; I854-T856 PolarHBondContact O-N 3.42Å; T856-H859 PolarHBondContact O-N 2.88Å; T856-L860 WeakPolarHBondContact O-CB 3.48Å; T856-L860 WeakPolarHBondContact O-CG 3.48Å; T856-L860 PolarHBondContact O-N 2.84Å; T856-F945 HydrophobicContact CG2-CD1 4.38Å; T856-F945 HydrophobicContact CG2-CE1 4.21Å; T856-F958 HydrophobicContact CG2-CD1 4.43Å |
| 857 | C | 81.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 168.3 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | L811 L814 N853 I854 V855 L860 G861 | L811-C857 WeakPolarHBondContact CB-O 3.35Å; L811-C857 HydrophobicContact CD2-CB 4.16Å; L814-C857 HydrophobicContact CD1-CB 3.54Å; N853-C857 PolarHBondContact O-N 2.83Å; N853-C857 PolarHBondContact O-SG 3.19Å; I854-C857 WeakPolarHBondContact O-CB 3.49Å; I854-C857 PolarHBondContact O-N 3.01Å; V855-C857 VanDerWaalsContact C-N 3.29Å; V855-C857 PolarHBondContact O-N 3.42Å; C857-L860 WeakPolarHBondContact O-CB 3.39Å; C857-L860 PolarHBondContact O-N 3.33Å; C857-G861 PolarHBondContact O-N 3.05Å |
| 858 | L | 81.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.2 | -67.8 | 172.9 | 0 | 0 | 0 | 112.4 | I854 V855 G861 G862 N927 Q931 Y934 | I854-L858 HydrophobicContact CG2-CD1 4.23Å; I854-L858 HydrophobicContact CG2-CG 4.46Å; I854-L858 WeakPolarHBondContact O-CG 3.48Å; I854-L858 PolarHBondContact O-N 3.12Å; V855-L858 PolarHBondContact O-N 3.45Å; V855-L858 VanDerWaalsContact O-N 3.17Å; L858-G861 PolarHBondContact O-N 3.34Å; L858-G862 PolarHBondContact O-N 3.45Å; L858-N927 PolarHBondContact O-ND2 3.01Å; L858-Q931 HydrophobicContact CB-CB 4.39Å; L858-Q931 HydrophobicContact CB-CG 4.24Å; L858-Q931 HydrophobicContact CD1-CB 4.46Å; L858-Y934 HydrophobicContact CD1-CG 4.45Å |
| 859 | H | 79.5 | Confident | 79.8 | Confident | 26 Ų | 26 | 24.5 Ų | 24.5 | 12% | 0.12 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 171.3 | -82.4 | -77.2 | 0 | 0 | 0 | 111.6 | V855 T856 G861 G862 I863 Q931 | V855-H859 PolarHBondContact O-CD2 2.98Å; V855-H859 PolarHBondContact O-N 2.98Å; T856-H859 PolarHBondContact O-N 2.88Å; H859-G861 VanDerWaalsContact C-N 3.3Å; H859-G861 PolarHBondContact O-N 3.36Å; H859-G862 PolarHBondContact O-N 2.91Å; H859-I863 WeakPolarHBondContact O-CG1 3.38Å; H859-I863 PolarHBondContact O-N 3.44Å; H859-I863 VanDerWaalsContact O-N 3.09Å; H859-Q931 PolarHBondContact CD2-NE2 3.41Å; H859-Q931 PolarHBondContact CE1-NE2 3.13Å; H859-Q931 VanDerWaalsContact CG-NE2 3.3Å; H859-Q931 PolarHBondContact ND1-NE2 3.37Å; H859-Q931 PolarHBondContact NE2-NE2 3.25Å |
| 860 | L | 80.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 175.2 | -79.1 | 172.1 | 0 | 0 | 0 | 111.1 | L811 V831 M834 V852 T856 C857 G862 I863 Y864 F958 | L811-L860 HydrophobicContact CD1-CB 3.75Å; V831-L860 HydrophobicContact CG2-CD1 4.25Å; M834-L860 HydrophobicContact CE-CD2 4.45Å; V852-L860 HydrophobicContact CG1-CD1 4.41Å; T856-L860 WeakPolarHBondContact O-CB 3.48Å; T856-L860 WeakPolarHBondContact O-CG 3.48Å; T856-L860 PolarHBondContact O-N 2.84Å; C857-L860 WeakPolarHBondContact O-CB 3.39Å; C857-L860 PolarHBondContact O-N 3.33Å; L860-G862 VanDerWaalsContact C-N 3.31Å; L860-G862 PolarHBondContact O-N 3.15Å; L860-I863 PolarHBondContact O-N 3.06Å; L860-I863 VanDerWaalsContact O-N 3.15Å; L860-Y864 VanDerWaalsContact O-CD2 3.29Å; L860-Y864 WeakPolarHBondContact O-CD2 3.43Å; L860-Y864 PolarHBondContact O-N 3.27Å; L860-F958 HydrophobicContact CD1-CZ 4.43Å; L860-F958 HydrophobicContact CD2-CE1 4.15Å; L860-F958 HydrophobicContact CD2-CZ 3.74Å; L860-F958 HydrophobicContact CG-CE1 4.05Å; L860-F958 HydrophobicContact CG-CZ 3.98Å |
| 861 | G | 83.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.2 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G808 C857 L858 H859 I863 Y864 L865 | G808-G861 WeakPolarHBondContact CA-O 3.3Å; C857-G861 PolarHBondContact O-N 3.05Å; L858-G861 PolarHBondContact O-N 3.34Å; H859-G861 VanDerWaalsContact C-N 3.3Å; H859-G861 PolarHBondContact O-N 3.36Å; G861-I863 PolarHBondContact O-N 3.24Å; G861-Y864 PolarHBondContact O-N 3.47Å; G861-L865 WeakPolarHBondContact O-CG 3.41Å; G861-L865 PolarHBondContact O-N 3.07Å |
| 862 | G | 83.5 | Confident | 79.8 | Confident | 15 Ų | 15 | 26 Ų | 26 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L858 H859 L860 L865 A866 N927 | L858-G862 PolarHBondContact O-N 3.45Å; H859-G862 PolarHBondContact O-N 2.91Å; L860-G862 VanDerWaalsContact C-N 3.31Å; L860-G862 PolarHBondContact O-N 3.15Å; G862-L865 PolarHBondContact O-N 2.7Å; G862-A866 PolarHBondContact O-N 3.22Å; G862-N927 VanDerWaalsContact CA-ND2 3.32Å; G862-N927 WeakPolarHBondContact CA-ND2 3.21Å; G862-N927 PolarHBondContact N-ND2 3.49Å |
| 863 | I | 82.5 | Confident | 79.5 | Confident | 60 Ų | 60 | 28.7 Ų | 28.7 | 31% | 0.308 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -71.2 | -37 | -179.2 | -56.8 | 161.5 | 0 | 0 | 0 | 111.5 | M834 H859 L860 G861 A866 C867 | M834-I863 HydrophobicContact CE-CB 3.65Å; M834-I863 HydrophobicContact CE-CD1 3.4Å; M834-I863 HydrophobicContact CE-CG1 4.04Å; M834-I863 HydrophobicContact CE-CG2 3.16Å; M834-I863 HydrophobicContact SD-CB 4.31Å; M834-I863 HydrophobicContact SD-CG2 3.69Å; H859-I863 WeakPolarHBondContact O-CG1 3.38Å; H859-I863 PolarHBondContact O-N 3.44Å; H859-I863 VanDerWaalsContact O-N 3.09Å; L860-I863 PolarHBondContact O-N 3.06Å; L860-I863 VanDerWaalsContact O-N 3.15Å; G861-I863 PolarHBondContact O-N 3.24Å; I863-A866 WeakPolarHBondContact O-CB 3.5Å; I863-A866 PolarHBondContact O-N 2.74Å; I863-C867 PolarHBondContact O-N 3.18Å; I863-C867 PolarHBondContact O-SG 3.3Å |
| 864 | Y | 85.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.3 | -91 | -75.4 | 0 | 0 | 0 | 112.2 | F803 F804 T807 L811 L830 L860 G861 A866 C867 A868 | F803-Y864 HydrophobicContact CE1-CE1 4.41Å; F804-Y864 AromaticContact CD1-CD1 3.87Å; F804-Y864 HydrophobicContact CD1-CD1 3.87Å; F804-Y864 HydrophobicContact CD1-CE1 4.13Å; T807-Y864 HydrophobicContact CG2-CD1 4.21Å; T807-Y864 HydrophobicContact CG2-CE1 4.06Å; T807-Y864 WeakPolarHBondContact OG1-CD1 3.42Å; L811-Y864 HydrophobicContact CD1-CD2 4.21Å; L830-Y864 VanDerWaalsContact C-OH 3.25Å; L830-Y864 VanDerWaalsContact CA-OH 3.27Å; L830-Y864 WeakPolarHBondContact CA-OH 3.3Å; L830-Y864 WeakPolarHBondContact CB-OH 3.37Å; L830-Y864 PolarHBondContact O-OH 2.85Å; L860-Y864 VanDerWaalsContact O-CD2 3.29Å; L860-Y864 WeakPolarHBondContact O-CD2 3.43Å; L860-Y864 PolarHBondContact O-N 3.27Å; G861-Y864 PolarHBondContact O-N 3.47Å; Y864-A866 VanDerWaalsContact C-N 3.31Å; Y864-A866 PolarHBondContact O-N 2.96Å; Y864-C867 WeakPolarHBondContact O-CB 3.39Å; Y864-C867 PolarHBondContact O-N 3.01Å; Y864-C867 VanDerWaalsContact O-N 3.16Å; Y864-A868 PolarHBondContact O-N 3.05Å |
| 865 | L | 86 | Confident | 77.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 173.4 | -68.2 | 171.7 | 0 | 0 | 0 | 111.9 | G861 G862 C867 A868 L869 I920 L924 N927 | G861-L865 WeakPolarHBondContact O-CG 3.41Å; G861-L865 PolarHBondContact O-N 3.07Å; G862-L865 PolarHBondContact O-N 2.7Å; L865-C867 VanDerWaalsContact C-N 3.34Å; L865-C867 PolarHBondContact O-N 2.79Å; L865-A868 WeakPolarHBondContact O-CB 3.44Å; L865-A868 PolarHBondContact O-N 3.22Å; L865-L869 PolarHBondContact O-N 3.12Å; L865-I920 WeakPolarHBondContact O-CG2 3.44Å; L865-L924 HydrophobicContact CB-CB 4.17Å; L865-L924 HydrophobicContact CB-CD1 3.98Å; L865-L924 HydrophobicContact CB-CG 4.47Å; L865-L924 HydrophobicContact CD1-CB 4.37Å; L865-N927 HydrophobicContact CD1-CB 4.16Å |
| 866 | A | 82.5 | Confident | 76.5 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65 | -36.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G862 I863 Y864 L869 R870 L924 | G862-A866 PolarHBondContact O-N 3.22Å; I863-A866 WeakPolarHBondContact O-CB 3.5Å; I863-A866 PolarHBondContact O-N 2.74Å; Y864-A866 VanDerWaalsContact C-N 3.31Å; Y864-A866 PolarHBondContact O-N 2.96Å; A866-L869 WeakPolarHBondContact O-CB 3.37Å; A866-L869 PolarHBondContact O-N 3.16Å; A866-R870 WeakPolarHBondContact O-CB 3.35Å; A866-R870 PolarHBondContact O-N 3.24Å; A866-L924 HydrophobicContact CB-CD1 4.07Å |
| 867 | C | 81.8 | Confident | 74.3 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 172.8 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | F804 I863 Y864 L865 L869 R870 T871 | F804-C867 HydrophobicContact CB-CB 4.35Å; F804-C867 HydrophobicContact CD1-CB 3.62Å; F804-C867 HydrophobicContact CE1-CB 4.05Å; F804-C867 HydrophobicContact CG-CB 3.98Å; I863-C867 PolarHBondContact O-N 3.18Å; I863-C867 PolarHBondContact O-SG 3.3Å; Y864-C867 WeakPolarHBondContact O-CB 3.39Å; Y864-C867 PolarHBondContact O-N 3.01Å; Y864-C867 VanDerWaalsContact O-N 3.16Å; L865-C867 VanDerWaalsContact C-N 3.34Å; L865-C867 PolarHBondContact O-N 2.79Å; C867-L869 VanDerWaalsContact C-N 3.3Å; C867-L869 PolarHBondContact O-N 3.1Å; C867-R870 PolarHBondContact O-N 3.37Å; C867-T871 WeakPolarHBondContact O-CG2 3.46Å; C867-T871 PolarHBondContact O-N 3.43Å; C867-T871 PolarHBondContact O-OG1 2.86Å |
| 868 | A | 81.6 | Confident | 72 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | F804 R805 Y864 L865 T871 S872 I920 | F804-A868 HydrophobicContact CB-CB 3.59Å; R805-A868 HydrophobicContact CB-CB 4.28Å; Y864-A868 PolarHBondContact O-N 3.05Å; L865-A868 WeakPolarHBondContact O-CB 3.44Å; L865-A868 PolarHBondContact O-N 3.22Å; A868-T871 PolarHBondContact O-OG1 2.98Å; A868-S872 PolarHBondContact O-N 3.24Å; A868-S872 VanDerWaalsContact O-N 3.1Å; A868-S872 PolarHBondContact O-OG 2.91Å; A868-I920 HydrophobicContact CB-CD1 4.12Å; A868-I920 HydrophobicContact CB-CG2 4.23Å |
| 869 | L | 81.8 | Confident | 69.4 | Low | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 175 | -170.9 | 122 | 0 | 0 | 0 | 111.1 | L865 A866 C867 T871 S872 I873 I920 L921 | L865-L869 PolarHBondContact O-N 3.12Å; A866-L869 WeakPolarHBondContact O-CB 3.37Å; A866-L869 PolarHBondContact O-N 3.16Å; C867-L869 VanDerWaalsContact C-N 3.3Å; C867-L869 PolarHBondContact O-N 3.1Å; L869-T871 PolarHBondContact O-N 3.07Å; L869-S872 PolarHBondContact O-N 3.34Å; L869-S872 PolarHBondContact O-OG 3.16Å; L869-I873 HydrophobicContact CD2-CD1 3.45Å; L869-I873 VanDerWaalsContact CD2-CD1 3.45Å; L869-I873 HydrophobicContact CG-CD1 3.82Å; L869-I873 WeakPolarHBondContact O-CG1 3.4Å; L869-I873 PolarHBondContact O-N 3.18Å; L869-I920 HydrophobicContact CB-CG2 3.96Å; L869-I920 HydrophobicContact CD1-CG2 4.26Å; L869-L921 HydrophobicContact CD1-CD1 4.48Å; L869-L921 HydrophobicContact CD1-CD2 3.37Å; L869-L921 HydrophobicContact CD1-CG 3.56Å |
| 870 | R | 78.5 | Confident | 66.7 | Low | 192 Ų | 192 | 65.1 Ų | 65.1 | 73% | 0.725 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59 | -43 | 178.8 | -175.8 | 178.8 | 178 | 176.7 | 1 | 112.8 | A866 C867 I873 S874 | A866-R870 WeakPolarHBondContact O-CB 3.35Å; A866-R870 PolarHBondContact O-N 3.24Å; C867-R870 PolarHBondContact O-N 3.37Å; R870-I873 PolarHBondContact O-N 2.97Å; R870-S874 WeakPolarHBondContact O-CB 3.44Å; R870-S874 PolarHBondContact O-N 3.2Å; R870-S874 PolarHBondContact O-OG 3.05Å |
| 871 | T | 74.5 | Confident | 64.1 | Low | 43 Ų | 43 | 73.7 Ų | 73.7 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 178.8 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | F804 C867 A868 L869 I873 S874 | F804-T871 HydrophobicContact CD2-CG2 3.99Å; F804-T871 HydrophobicContact CE2-CG2 3.7Å; C867-T871 WeakPolarHBondContact O-CG2 3.46Å; C867-T871 PolarHBondContact O-N 3.43Å; C867-T871 PolarHBondContact O-OG1 2.86Å; A868-T871 PolarHBondContact O-OG1 2.98Å; L869-T871 PolarHBondContact O-N 3.07Å; T871-I873 PolarHBondContact O-N 3.38Å; T871-S874 PolarHBondContact O-OG 3.03Å |
| 872 | S | 73.4 | Confident | 61.4 | Low | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.119 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 173.9 | 71 | 0 | 0 | 0 | 0 | 112.6 | A868 L869 S875 | A868-S872 PolarHBondContact O-N 3.24Å; A868-S872 VanDerWaalsContact O-N 3.1Å; A868-S872 PolarHBondContact O-OG 2.91Å; L869-S872 PolarHBondContact O-N 3.34Å; L869-S872 PolarHBondContact O-OG 3.16Å; S872-S875 PolarHBondContact O-OG 3Å |
| 873 | I | 70.8 | Confident | 58.7 | Low | 68 Ų | 68 | 86.2 Ų | 86.2 | 35% | 0.349 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.2 | -42 | 178.8 | -64.6 | 167.9 | 0 | 0 | 0 | 112.2 | L869 R870 T871 S875 I876 | L869-I873 HydrophobicContact CD2-CD1 3.45Å; L869-I873 VanDerWaalsContact CD2-CD1 3.45Å; L869-I873 HydrophobicContact CG-CD1 3.82Å; L869-I873 WeakPolarHBondContact O-CG1 3.4Å; L869-I873 PolarHBondContact O-N 3.18Å; R870-I873 PolarHBondContact O-N 2.97Å; T871-I873 PolarHBondContact O-N 3.38Å; I873-S875 PolarHBondContact O-N 2.87Å; I873-S875 VanDerWaalsContact O-N 3.09Å; I873-I876 WeakPolarHBondContact O-CA 3.37Å; I873-I876 WeakPolarHBondContact O-CB 3.39Å; I873-I876 WeakPolarHBondContact O-CG1 3.44Å; I873-I876 PolarHBondContact O-N 2.91Å |
| 874 | S | 61.2 | Low | 56 | Low | 89 Ų | 89 | 88.3 Ų | 88.3 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.9 | -18.8 | -177.9 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | R870 T871 I876 | R870-S874 WeakPolarHBondContact O-CB 3.44Å; R870-S874 PolarHBondContact O-N 3.2Å; R870-S874 PolarHBondContact O-OG 3.05Å; T871-S874 PolarHBondContact O-OG 3.03Å; S874-I876 PolarHBondContact O-N 3.23Å |
| 875 | S | 53.7 | Low | 53.4 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -6 | 171 | 77 | 0 | 0 | 0 | 0 | 113.5 | S872 I873 | S872-S875 PolarHBondContact O-OG 3Å; I873-S875 PolarHBondContact O-N 2.87Å; I873-S875 VanDerWaalsContact O-N 3.09Å |
| 876 | I | 48.9 | Very low | 50.5 | Low | 46 Ų | 46 | 98.8 Ų | 98.8 | 24% | 0.236 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -102.6 | 108.7 | 178.5 | -48.1 | 170.9 | 0 | 0 | 0 | 107.5 | I873 S874 Y878 I917 | I873-I876 WeakPolarHBondContact O-CA 3.37Å; I873-I876 WeakPolarHBondContact O-CB 3.39Å; I873-I876 WeakPolarHBondContact O-CG1 3.44Å; I873-I876 PolarHBondContact O-N 2.91Å; S874-I876 PolarHBondContact O-N 3.23Å; I876-Y878 HydrophobicContact CB-CD2 4.15Å; I876-Y878 HydrophobicContact CB-CE2 4.07Å; I876-Y878 HydrophobicContact CG2-CD2 3.64Å; I876-Y878 HydrophobicContact CG2-CE2 3.39Å; I876-Y878 PolarHBondContact O-N 2.77Å; I876-I917 HydrophobicContact CD1-CD1 4.28Å |
| 877 | R | 28.6 | Very low | 48 | Very low | 248 Ų | 248 | 102.5 Ų | 102.5 | 94% | 0.936 | 55% | 0.546 | S | S | * | . | trans | -68.1 | 102.2 | 170.4 | -77.3 | -176.6 | 178.1 | 178.2 | -0.2 | 108.6 | ||||
| 878 | Y | 31.8 | Very low | 45.3 | Very low | 165 Ų | 165 | 108.8 Ų | 108.8 | 65% | 0.647 | 58% | 0.576 | S | S | * | * | trans | -95.4 | 138.7 | 166.3 | -86.8 | -80.1 | 0 | 0 | 0 | 110.6 | I876 | I876-Y878 HydrophobicContact CB-CD2 4.15Å; I876-Y878 HydrophobicContact CB-CE2 4.07Å; I876-Y878 HydrophobicContact CG2-CD2 3.64Å; I876-Y878 HydrophobicContact CG2-CE2 3.39Å; I876-Y878 PolarHBondContact O-N 2.77Å | ||
| 879 | P | 26.8 | Very low | 42.8 | Very low | 112 Ų | 112 | 113.3 Ų | 113.3 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | trans | -65.3 | 139.7 | 164.6 | -12.1 | 26.7 | 0 | 0 | 0 | 110.3 | H881 | P879-H881 PolarHBondContact O-N 3.28Š| ||
| 880 | S | 22.7 | Very low | 40.1 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -67.9 | 83.8 | 179.6 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 881 | H | 25.6 | Very low | 37.6 | Very low | 181 Ų | 181 | 114.6 Ų | 114.6 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | trans | -135.8 | 132.9 | 151.8 | -81.4 | -65.9 | 0 | 0 | 0 | 109.3 | P879 | P879-H881 PolarHBondContact O-N 3.28Š| ||
| 882 | S | 28.4 | Very low | 35.3 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -38 | 128.7 | -176.2 | 38.5 | 0 | 0 | 0 | 0 | 114.3 | D884 | S882-D884 PolarHBondContact O-N 2.97Š| ||
| 883 | L | 25.7 | Very low | 32.9 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 96% | 0.958 | 70% | 0.696 | S | S | * | * | trans | -61.3 | 80.1 | 156.2 | -80.4 | 144.3 | 0 | 0 | 0 | 108.4 | ||||
| 884 | D | 25.7 | Very low | 30.8 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | trans | -91.7 | 123.2 | 161.2 | -97.8 | -31.8 | 0 | 0 | 0 | 108.6 | S882 N886 | S882-D884 PolarHBondContact O-N 2.97Å; D884-N886 PolarHBondContact O-N 3.24Å | ||
| 885 | P | 30.5 | Very low | 29 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -65.1 | -8 | -173.5 | -4.2 | 11 | 0 | 0 | 0 | 114.7 | V887 | P885-V887 VanDerWaalsContact C-N 3.34Å; P885-V887 PolarHBondContact O-N 3.4Å |
| 886 | N | 26.9 | Very low | 27.5 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -81.4 | -9.1 | -175.3 | -69.3 | -14.9 | 0 | 0 | 0 | 114.1 | D884 L888 S889 | D884-N886 PolarHBondContact O-N 3.24Å; N886-L888 VanDerWaalsContact C-N 3.34Å; N886-S889 PolarHBondContact O-OG 3.24Å |
| 887 | V | 28.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -81.4 | -15.4 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | P885 S889 | P885-V887 VanDerWaalsContact C-N 3.34Å; P885-V887 PolarHBondContact O-N 3.4Å; V887-S889 VanDerWaalsContact C-N 3.33Å |
| 888 | L | 26.1 | Very low | 26 | Very low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -85.3 | 0.7 | 176.2 | -78.1 | 162.6 | 0 | 0 | 0 | 114 | N886 | N886-L888 VanDerWaalsContact C-N 3.34Š|
| 889 | S | 29.4 | Very low | 25.6 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -118.4 | 3 | -177.5 | 59.5 | 0 | 0 | 0 | 0 | 116.2 | N886 V887 | N886-S889 PolarHBondContact O-OG 3.24Å; V887-S889 VanDerWaalsContact C-N 3.33Å |
| 890 | S | 24 | Very low | 25.3 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 57% | 0.566 | 77% | 0.772 | S | S | * | * | trans | -126.6 | 77.6 | 176.4 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 891 | N | 25.7 | Very low | 25.3 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | -145.1 | 52.8 | 151.2 | -89.6 | -20 | 0 | 0 | 0 | 108.1 | ||||
| 892 | K | 25.9 | Very low | 25.2 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -106.5 | 135.5 | 147.7 | -71.8 | -175.3 | 177.5 | -178.9 | 0 | 104.6 | ||||
| 893 | D | 24.6 | Very low | 24.9 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 95.5 | 74.5 | 180 | -45.9 | -17.5 | 0 | 0 | 0 | 114.8 | ||||
| 894 | T | 26.4 | Very low | 24.8 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | -155.1 | 106 | 123.9 | 44.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 895 | E | 22.2 | Very low | 24.7 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 151 | 165.3 | -65.3 | 177.8 | 146.6 | 0 | 0 | 111.4 | ||||
| 896 | S | 22.9 | Very low | 24.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 58.7 | 103 | 151.2 | 66.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 897 | S | 26.4 | Very low | 24.7 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | 170 | 138.1 | 112.7 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 898 | T | 20.9 | Very low | 25.4 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -53.9 | 130.3 | 174.3 | 46.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 899 | S | 22.4 | Very low | 26.6 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 161.6 | 111.6 | 123.4 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 900 | T | 21.2 | Very low | 28.4 | Very low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 43.4 | 113.8 | 134.4 | 54.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 901 | T | 21.6 | Very low | 30.8 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 61.7 | 102 | 131.3 | 59.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 902 | T | 23.2 | Very low | 33.1 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | -163.6 | 106.9 | 124.9 | 39.3 | 0 | 0 | 0 | 0 | 110.4 | T904 | T902-T904 PolarHBondContact O-N 3.02Š| |||
| 903 | T | 22.4 | Very low | 35.5 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | 19.3 | 95.2 | 141.9 | 55.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 904 | T | 23.5 | Very low | 38.1 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | trans | -108 | 115.7 | 141.6 | 50.2 | 0 | 0 | 0 | 0 | 107.4 | T902 T906 | T902-T904 PolarHBondContact O-N 3.02Å; T904-T906 VanDerWaalsContact C-N 3.26Å; T904-T906 PolarHBondContact O-N 3.43Å | ||
| 905 | S | 23.8 | Very low | 40.8 | Very low | 122 Ų | 122 | 107.4 Ų | 107.4 | 85% | 0.853 | 63% | 0.631 | S | S | * | * | trans | -56.6 | 84.4 | 170.2 | 52 | 0 | 0 | 0 | 0 | 110.8 | T907 | S905-T907 PolarHBondContact O-N 3.15Š| ||
| 906 | T | 29.2 | Very low | 43.7 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | trans | -73.8 | 109.2 | 165.9 | 50 | 0 | 0 | 0 | 0 | 107.1 | T904 K908 | T904-T906 VanDerWaalsContact C-N 3.26Å; T904-T906 PolarHBondContact O-N 3.43Å; T906-K908 PolarHBondContact O-N 3.13Å | ||
| 907 | T | 29.3 | Very low | 46.7 | Very low | 127 Ų | 127 | 96.3 Ų | 96.3 | 78% | 0.779 | 57% | 0.569 | S | S | * | * | trans | -50.8 | 101.1 | 175.2 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | S905 T909 | S905-T907 PolarHBondContact O-N 3.15Å; T907-T909 PolarHBondContact O-N 2.86Å | ||
| 908 | K | 41.7 | Very low | 49.5 | Very low | 208 Ų | 208 | 90.6 Ų | 90.6 | 90% | 0.904 | 53% | 0.529 | S | S | * | . | trans | -59 | 107.5 | 177.2 | -75.6 | -176.8 | 174.4 | -175.3 | 0 | 109 | T906 D910 | T906-K908 PolarHBondContact O-N 3.13Å; K908-D910 PolarHBondContact O-N 3.3Å | ||
| 909 | T | 51.6 | Low | 52.7 | Low | 69 Ų | 69 | 84.7 Ų | 84.7 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | trans | -68.9 | 123.6 | 169 | 45.8 | 0 | 0 | 0 | 0 | 109 | T907 | T907-T909 PolarHBondContact O-N 2.86Š| ||
| 910 | D | 68 | Low | 55.7 | Low | 88 Ų | 88 | 79.7 Ų | 79.7 | 47% | 0.471 | 46% | 0.458 | S | S | . | . | trans | -58.4 | 118.5 | -177.5 | -149 | -4 | 0 | 0 | 0 | 111.2 | K908 L912 K913 L914 | K908-D910 PolarHBondContact O-N 3.3Å; D910-L912 PolarHBondContact O-N 3.18Å; D910-K913 HydrophobicContact CB-CB 4.27Å; D910-K913 HydrophobicContact CB-CD 3.91Å; D910-K913 HydrophobicContact CB-CG 3.96Å; D910-K913 WeakPolarHBondContact O-CB 3.45Å; D910-K913 PolarHBondContact O-N 2.87Å; D910-L914 PolarHBondContact O-N 3.45Å | ||
| 911 | P | 74.3 | Confident | 59 | Low | 34 Ų | 34 | 75 Ų | 75 | 22% | 0.221 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.7 | -29.6 | -173.3 | 22.9 | -33 | 0 | 0 | 0 | 112.6 | K913 L914 L915 L985 I988 Y989 | P911-K913 VanDerWaalsContact C-N 3.32Å; P911-K913 PolarHBondContact O-N 2.92Å; P911-L914 PolarHBondContact O-N 3.4Å; P911-L915 PolarHBondContact O-N 3.36Å; P911-L915 VanDerWaalsContact O-N 3.11Å; P911-L985 HydrophobicContact CB-CD2 3.99Å; P911-L985 VanDerWaalsContact O-CD2 3.32Å; P911-L985 WeakPolarHBondContact O-CD2 3.2Å; P911-I988 HydrophobicContact CB-CG2 4.44Å; P911-Y989 HydrophobicContact CB-CE2 4.24Å |
| 912 | L | 74.6 | Confident | 62.2 | Low | 75 Ų | 75 | 69.1 Ų | 69.1 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 176.4 | -152.4 | 151.8 | 0 | 0 | 0 | 111.9 | D910 L915 I916 | D910-L912 PolarHBondContact O-N 3.18Å; L912-L915 PolarHBondContact O-N 3.44Å; L912-I916 HydrophobicContact CD2-CD1 4.04Å; L912-I916 WeakPolarHBondContact O-CG1 3.49Å; L912-I916 PolarHBondContact O-N 2.81Å |
| 913 | K | 75.2 | Confident | 65.2 | Low | 91 Ų | 91 | 63.2 Ų | 63.2 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71 | -39.5 | 176.1 | -68.9 | -178.4 | -174.9 | 178.9 | 0 | 111.9 | D910 P911 L915 I916 I917 | D910-K913 HydrophobicContact CB-CB 4.27Å; D910-K913 HydrophobicContact CB-CD 3.91Å; D910-K913 HydrophobicContact CB-CG 3.96Å; D910-K913 WeakPolarHBondContact O-CB 3.45Å; D910-K913 PolarHBondContact O-N 2.87Å; P911-K913 VanDerWaalsContact C-N 3.32Å; P911-K913 PolarHBondContact O-N 2.92Å; K913-L915 VanDerWaalsContact C-N 3.27Å; K913-L915 PolarHBondContact O-N 3.48Å; K913-I916 PolarHBondContact O-N 3.27Å; K913-I917 WeakPolarHBondContact O-CG1 3.34Å; K913-I917 PolarHBondContact O-N 2.86Å |
| 914 | L | 80.1 | Confident | 68.4 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 173.8 | -84.8 | 160 | 0 | 0 | 0 | 111.3 | D910 P911 I916 I917 S918 L981 L985 | D910-L914 PolarHBondContact O-N 3.45Å; P911-L914 PolarHBondContact O-N 3.4Å; L914-I916 VanDerWaalsContact C-N 3.34Å; L914-I916 PolarHBondContact O-N 2.89Å; L914-I917 PolarHBondContact O-N 3.32Å; L914-S918 PolarHBondContact O-N 3.43Å; L914-S918 PolarHBondContact O-OG 2.98Å; L914-L981 HydrophobicContact CD2-CD2 3.95Å; L914-L985 HydrophobicContact CB-CD1 3.86Å; L914-L985 HydrophobicContact CB-CD2 3.58Å; L914-L985 HydrophobicContact CB-CG 3.9Å; L914-L985 HydrophobicContact CD1-CD2 4.16Å |
| 915 | L | 82.9 | Confident | 71.4 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 175.8 | -174.8 | 64.3 | 0 | 0 | 0 | 112.2 | P911 L912 K913 S918 S919 L982 L985 L1025 I1026 L1029 | P911-L915 PolarHBondContact O-N 3.36Å; P911-L915 VanDerWaalsContact O-N 3.11Å; L912-L915 PolarHBondContact O-N 3.44Å; K913-L915 VanDerWaalsContact C-N 3.27Å; K913-L915 PolarHBondContact O-N 3.48Å; L915-S918 WeakPolarHBondContact CA-OG 3.49Å; L915-S918 PolarHBondContact O-OG 3.15Å; L915-S919 WeakPolarHBondContact O-CB 3.48Å; L915-S919 PolarHBondContact O-N 3.2Å; L915-S919 VanDerWaalsContact O-N 3.13Å; L915-L982 HydrophobicContact CD1-CD2 4.17Å; L915-L985 HydrophobicContact CB-CD1 4.06Å; L915-L985 HydrophobicContact CD1-CD1 4.31Å; L915-L1025 HydrophobicContact CD2-CD2 4.03Å; L915-I1026 HydrophobicContact CD1-CD1 4.36Å; L915-I1026 HydrophobicContact CD1-CG1 3.53Å; L915-L1029 HydrophobicContact CD1-CD1 3.87Å |
| 916 | I | 83.1 | Confident | 74.5 | Confident | 40 Ų | 40 | 47.2 Ų | 47.2 | 21% | 0.205 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -47 | 175.3 | -65.9 | 166.9 | 0 | 0 | 0 | 110.3 | F801 L912 K913 L914 S918 S919 I920 | F801-I916 HydrophobicContact CD2-CG2 4.14Å; F801-I916 HydrophobicContact CE2-CG2 3.65Å; F801-I916 HydrophobicContact CZ-CD1 4.21Å; F801-I916 HydrophobicContact CZ-CG2 4.14Å; L912-I916 HydrophobicContact CD2-CD1 4.04Å; L912-I916 WeakPolarHBondContact O-CG1 3.49Å; L912-I916 PolarHBondContact O-N 2.81Å; K913-I916 PolarHBondContact O-N 3.27Å; L914-I916 VanDerWaalsContact C-N 3.34Å; L914-I916 PolarHBondContact O-N 2.89Å; I916-S918 PolarHBondContact O-N 2.87Å; I916-S919 PolarHBondContact O-N 3.21Å; I916-S919 PolarHBondContact O-OG 2.95Å; I916-I920 HydrophobicContact CG2-CD1 3.9Å; I916-I920 WeakPolarHBondContact O-CG1 3.36Å; I916-I920 PolarHBondContact O-N 3.39Å; I916-I920 VanDerWaalsContact O-N 3.1Å |
| 917 | I | 85 | Confident | 77.3 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -48 | -179.6 | -67.7 | 165.6 | 0 | 0 | 0 | 111.1 | I876 K913 L914 S919 I920 L921 L981 | I876-I917 HydrophobicContact CD1-CD1 4.28Å; K913-I917 WeakPolarHBondContact O-CG1 3.34Å; K913-I917 PolarHBondContact O-N 2.86Å; L914-I917 PolarHBondContact O-N 3.32Å; I917-S919 VanDerWaalsContact C-N 3.33Å; I917-S919 PolarHBondContact O-N 3.04Å; I917-I920 PolarHBondContact O-N 2.97Å; I917-L921 HydrophobicContact CG2-CD1 4.18Å; I917-L921 PolarHBondContact O-N 3.11Å; I917-L981 HydrophobicContact CG2-CD1 4.09Å |
| 918 | S | 85.7 | Confident | 80 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | L914 L915 I916 I920 L921 I922 L982 | L914-S918 PolarHBondContact O-N 3.43Å; L914-S918 PolarHBondContact O-OG 2.98Å; L915-S918 WeakPolarHBondContact CA-OG 3.49Å; L915-S918 PolarHBondContact O-OG 3.15Å; I916-S918 PolarHBondContact O-N 2.87Å; S918-I920 VanDerWaalsContact C-N 3.32Å; S918-I920 PolarHBondContact O-N 3.27Å; S918-L921 PolarHBondContact O-N 3.12Å; S918-I922 WeakPolarHBondContact O-CG1 3.19Å; S918-I922 PolarHBondContact O-N 3.1Å; S918-I922 VanDerWaalsContact O-N 3.1Å; S918-L982 WeakPolarHBondContact OG-CD2 3.45Å |
| 919 | S | 87 | Confident | 82.2 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 175.8 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | R805 L915 I916 I917 S923 | R805-S919 PolarHBondContact NH1-OG 3.29Å; L915-S919 WeakPolarHBondContact O-CB 3.48Å; L915-S919 PolarHBondContact O-N 3.2Å; L915-S919 VanDerWaalsContact O-N 3.13Å; I916-S919 PolarHBondContact O-N 3.21Å; I916-S919 PolarHBondContact O-OG 2.95Å; I917-S919 VanDerWaalsContact C-N 3.33Å; I917-S919 PolarHBondContact O-N 3.04Å; S919-S923 PolarHBondContact O-N 3.48Å |
| 920 | I | 86.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71 | -41.3 | 178 | -65.5 | 165.8 | 0 | 0 | 0 | 110.6 | F801 L865 A868 L869 I916 I917 S918 I922 S923 L924 | F801-I920 HydrophobicContact CD2-CD1 4.43Å; L865-I920 WeakPolarHBondContact O-CG2 3.44Å; A868-I920 HydrophobicContact CB-CD1 4.12Å; A868-I920 HydrophobicContact CB-CG2 4.23Å; L869-I920 HydrophobicContact CB-CG2 3.96Å; L869-I920 HydrophobicContact CD1-CG2 4.26Å; I916-I920 HydrophobicContact CG2-CD1 3.9Å; I916-I920 WeakPolarHBondContact O-CG1 3.36Å; I916-I920 PolarHBondContact O-N 3.39Å; I916-I920 VanDerWaalsContact O-N 3.1Å; I917-I920 PolarHBondContact O-N 2.97Å; S918-I920 VanDerWaalsContact C-N 3.32Å; S918-I920 PolarHBondContact O-N 3.27Å; I920-I922 VanDerWaalsContact C-N 3.3Å; I920-I922 PolarHBondContact O-N 2.9Å; I920-S923 PolarHBondContact O-N 3.41Å; I920-L924 WeakPolarHBondContact O-CB 3.47Å; I920-L924 PolarHBondContact O-N 3.38Å |
| 921 | L | 89.2 | Confident | 84.4 | Confident | 22 Ų | 22 | 23.3 Ų | 23.3 | 12% | 0.115 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 176 | -75.5 | 168.4 | 0 | 0 | 0 | 112 | L869 I917 S918 L924 G925 A978 L981 | L869-L921 HydrophobicContact CD1-CD1 4.48Å; L869-L921 HydrophobicContact CD1-CD2 3.37Å; L869-L921 HydrophobicContact CD1-CG 3.56Å; I917-L921 HydrophobicContact CG2-CD1 4.18Å; I917-L921 PolarHBondContact O-N 3.11Å; S918-L921 PolarHBondContact O-N 3.12Å; L921-L924 PolarHBondContact O-N 3.23Å; L921-G925 PolarHBondContact O-N 3.24Å; L921-A978 HydrophobicContact CB-CB 3.71Å; L921-A978 HydrophobicContact CD1-CB 4.38Å; L921-L981 HydrophobicContact CD1-CD1 3.68Å |
| 922 | I | 89.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 176 | -66.8 | 167.3 | 0 | 0 | 0 | 111.2 | S918 I920 L924 G925 I926 A978 L982 L1029 R1032 A1033 | S918-I922 WeakPolarHBondContact O-CG1 3.19Å; S918-I922 PolarHBondContact O-N 3.1Å; S918-I922 VanDerWaalsContact O-N 3.1Å; I920-I922 VanDerWaalsContact C-N 3.3Å; I920-I922 PolarHBondContact O-N 2.9Å; I922-L924 VanDerWaalsContact C-N 3.27Å; I922-L924 PolarHBondContact O-N 3.41Å; I922-G925 PolarHBondContact O-N 3.37Å; I922-I926 HydrophobicContact CG2-CD1 3.72Å; I922-I926 HydrophobicContact CG2-CG1 4.46Å; I922-I926 VanDerWaalsContact O-CG1 3.28Å; I922-I926 WeakPolarHBondContact O-CG1 3.42Å; I922-I926 PolarHBondContact O-N 3.21Å; I922-A978 HydrophobicContact CG1-CB 3.77Å; I922-L982 HydrophobicContact CD1-CD1 3.72Å; I922-L1029 HydrophobicContact CD1-CB 3.85Å; I922-L1029 HydrophobicContact CD1-CD2 4.21Å; I922-L1029 WeakPolarHBondContact CD1-O 3.27Å; I922-R1032 HydrophobicContact CG2-CG 4.06Å; I922-A1033 HydrophobicContact CD1-CB 3.97Å; I922-A1033 HydrophobicContact CG1-CB 3.97Å |
| 923 | S | 87.1 | Confident | 85 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.8 | -42.1 | 175.5 | -79.6 | 0 | 0 | 0 | 0 | 111.5 | D809 S919 I920 I926 N927 | D809-S923 WeakPolarHBondContact OD1-CB 3.44Å; D809-S923 PolarHBondContact OD1-OG 3.45Å; S919-S923 PolarHBondContact O-N 3.48Å; I920-S923 PolarHBondContact O-N 3.41Å; S923-I926 PolarHBondContact O-N 3.27Å; S923-N927 WeakPolarHBondContact O-CB 3.46Å; S923-N927 PolarHBondContact O-N 3.43Å |
| 924 | L | 89.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 19.7 Ų | 19.7 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | -179.3 | -176.4 | 138.4 | 0 | 0 | 0 | 112.1 | L865 A866 I920 L921 I922 N927 Q928 T974 | L865-L924 HydrophobicContact CB-CB 4.17Å; L865-L924 HydrophobicContact CB-CD1 3.98Å; L865-L924 HydrophobicContact CB-CG 4.47Å; L865-L924 HydrophobicContact CD1-CB 4.37Å; A866-L924 HydrophobicContact CB-CD1 4.07Å; I920-L924 WeakPolarHBondContact O-CB 3.47Å; I920-L924 PolarHBondContact O-N 3.38Å; L921-L924 PolarHBondContact O-N 3.23Å; I922-L924 VanDerWaalsContact C-N 3.27Å; I922-L924 PolarHBondContact O-N 3.41Å; L924-N927 PolarHBondContact O-N 3.44Å; L924-Q928 WeakPolarHBondContact O-CG 3.37Å; L924-Q928 PolarHBondContact O-N 2.98Å; L924-T974 HydrophobicContact CD2-CG2 3.58Å |
| 925 | G | 87 | Confident | 84.9 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L921 I922 Q928 L929 S971 T974 | L921-G925 PolarHBondContact O-N 3.24Å; I922-G925 PolarHBondContact O-N 3.37Å; G925-Q928 PolarHBondContact O-N 3.15Å; G925-L929 PolarHBondContact O-N 2.82Å; G925-S971 WeakPolarHBondContact O-CB 3.47Å; G925-T974 VanDerWaalsContact CA-OG1 3.26Å; G925-T974 WeakPolarHBondContact CA-OG1 3.49Å |
| 926 | I | 87.6 | Confident | 84.5 | Confident | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.138 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 175 | -67.9 | 168.1 | 0 | 0 | 0 | 111.3 | I922 S923 Q928 L929 N930 R1032 | I922-I926 HydrophobicContact CG2-CD1 3.72Å; I922-I926 HydrophobicContact CG2-CG1 4.46Å; I922-I926 VanDerWaalsContact O-CG1 3.28Å; I922-I926 WeakPolarHBondContact O-CG1 3.42Å; I922-I926 PolarHBondContact O-N 3.21Å; S923-I926 PolarHBondContact O-N 3.27Å; I926-Q928 VanDerWaalsContact C-N 3.32Å; I926-Q928 PolarHBondContact O-N 3.08Å; I926-L929 PolarHBondContact O-N 3.46Å; I926-N930 WeakPolarHBondContact O-CB 3.24Å; I926-N930 VanDerWaalsContact O-CG 3.29Å; I926-N930 PolarHBondContact O-N 3.44Å; I926-R1032 HydrophobicContact CD1-CG 4.01Å |
| 927 | N | 88 | Confident | 83.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.1 | -176.2 | 72.9 | 0 | 0 | 0 | 111.6 | S812 L858 G862 L865 S923 L924 N930 Q931 | S812-N927 VanDerWaalsContact CA-OD1 3.3Å; S812-N927 WeakPolarHBondContact CA-OD1 3.39Å; S812-N927 WeakPolarHBondContact CB-OD1 3.5Å; L858-N927 PolarHBondContact O-ND2 3.01Å; G862-N927 VanDerWaalsContact CA-ND2 3.32Å; G862-N927 WeakPolarHBondContact CA-ND2 3.21Å; G862-N927 PolarHBondContact N-ND2 3.49Å; L865-N927 HydrophobicContact CD1-CB 4.16Å; S923-N927 WeakPolarHBondContact O-CB 3.46Å; S923-N927 PolarHBondContact O-N 3.43Å; L924-N927 PolarHBondContact O-N 3.44Å; N927-N930 PolarHBondContact O-N 3.24Å; N927-Q931 VanDerWaalsContact O-CB 3.3Å; N927-Q931 WeakPolarHBondContact O-CB 3.47Å; N927-Q931 PolarHBondContact O-N 3.41Å |
| 928 | Q | 87 | Confident | 82.9 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.6 | -70.8 | 169.6 | -19.3 | 0 | 0 | 112 | L924 G925 I926 Q931 G932 L970 T974 | L924-Q928 WeakPolarHBondContact O-CG 3.37Å; L924-Q928 PolarHBondContact O-N 2.98Å; G925-Q928 PolarHBondContact O-N 3.15Å; I926-Q928 VanDerWaalsContact C-N 3.32Å; I926-Q928 PolarHBondContact O-N 3.08Å; Q928-Q931 PolarHBondContact O-N 3.42Å; Q928-G932 PolarHBondContact O-N 3.06Å; Q928-L970 VanDerWaalsContact OE1-C 3.24Å; Q928-L970 PolarHBondContact OE1-O 2.97Å; Q928-T974 PolarHBondContact OE1-OG1 3.38Å |
| 929 | L | 86.7 | Confident | 81.9 | Confident | 23 Ų | 23 | 33.1 Ų | 33.1 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 175.7 | 171.7 | 140.8 | 0 | 0 | 0 | 111.9 | G925 I926 Q931 G932 Y933 S1036 V1040 | G925-L929 PolarHBondContact O-N 2.82Å; I926-L929 PolarHBondContact O-N 3.46Å; L929-Q931 VanDerWaalsContact C-N 3.3Å; L929-Q931 PolarHBondContact O-N 2.86Å; L929-G932 PolarHBondContact O-N 3.39Å; L929-Y933 PolarHBondContact O-N 3.24Å; L929-S1036 WeakPolarHBondContact CD1-O 3.08Å; L929-V1040 HydrophobicContact CD1-CB 4.19Å; L929-V1040 HydrophobicContact CD1-CG2 3.46Å; L929-V1040 VanDerWaalsContact CD1-CG2 3.46Å; L929-V1040 VanDerWaalsContact CD1-N 3.29Å |
| 930 | N | 83.7 | Confident | 80.7 | Confident | 44 Ų | 44 | 34 Ų | 34 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | -179.3 | -77.4 | -13 | 0 | 0 | 0 | 112 | S815 I926 N927 Y933 Y934 | S815-N930 PolarHBondContact OG-ND2 2.92Å; I926-N930 WeakPolarHBondContact O-CB 3.24Å; I926-N930 VanDerWaalsContact O-CG 3.29Å; I926-N930 PolarHBondContact O-N 3.44Å; N927-N930 PolarHBondContact O-N 3.24Å; N930-Y933 PolarHBondContact O-N 2.9Å; N930-Y934 WeakPolarHBondContact O-CB 3.31Å; N930-Y934 PolarHBondContact O-N 3.45Å |
| 931 | Q | 82.8 | Confident | 79.2 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.4 | -173.8 | -175.8 | -7.9 | 0 | 0 | 111.9 | L858 H859 N927 Q928 L929 Y934 I935 L967 | L858-Q931 HydrophobicContact CB-CB 4.39Å; L858-Q931 HydrophobicContact CB-CG 4.24Å; L858-Q931 HydrophobicContact CD1-CB 4.46Å; H859-Q931 PolarHBondContact CD2-NE2 3.41Å; H859-Q931 PolarHBondContact CE1-NE2 3.13Å; H859-Q931 VanDerWaalsContact CG-NE2 3.3Å; H859-Q931 PolarHBondContact ND1-NE2 3.37Å; H859-Q931 PolarHBondContact NE2-NE2 3.25Å; N927-Q931 VanDerWaalsContact O-CB 3.3Å; N927-Q931 WeakPolarHBondContact O-CB 3.47Å; N927-Q931 PolarHBondContact O-N 3.41Å; Q928-Q931 PolarHBondContact O-N 3.42Å; L929-Q931 VanDerWaalsContact C-N 3.3Å; L929-Q931 PolarHBondContact O-N 2.86Å; Q931-Y934 PolarHBondContact O-N 3.12Å; Q931-I935 HydrophobicContact CG-CD1 4.19Å; Q931-I935 WeakPolarHBondContact O-CG1 3.19Å; Q931-I935 PolarHBondContact O-N 3.44Å; Q931-L967 HydrophobicContact CB-CD1 4.16Å; Q931-L967 HydrophobicContact CG-CD1 3.73Å |
| 932 | G | 81.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q928 L929 Y934 I935 Q936 | Q928-G932 PolarHBondContact O-N 3.06Å; L929-G932 PolarHBondContact O-N 3.39Å; G932-Y934 PolarHBondContact O-N 2.89Å; G932-I935 PolarHBondContact O-N 3.39Å; G932-Q936 PolarHBondContact O-N 2.83Å; G932-Q936 VanDerWaalsContact O-N 3.08Å |
| 933 | Y | 78.9 | Confident | 75.4 | Confident | 119 Ų | 119 | 47.2 Ų | 47.2 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 178.1 | -170.8 | -99.1 | 0 | 0 | 0 | 112.4 | L929 N930 I935 Q936 R937 | L929-Y933 PolarHBondContact O-N 3.24Å; N930-Y933 PolarHBondContact O-N 2.9Å; Y933-I935 PolarHBondContact O-N 3.26Å; Y933-Q936 PolarHBondContact O-N 3.36Å; Y933-R937 WeakPolarHBondContact O-CB 2.96Å; Y933-R937 PolarHBondContact O-N 2.93Å |
| 934 | Y | 77.5 | Confident | 73.5 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | -179.7 | -172.2 | -92.1 | 0 | 0 | 0 | 112.6 | I817 D819 P820 I854 V855 L858 N930 Q931 G932 N938 I940 | I817-Y934 WeakPolarHBondContact O-CE2 3.45Å; D819-Y934 PolarHBondContact O-OH 2.91Å; P820-Y934 WeakPolarHBondContact CA-OH 3.26Å; I854-Y934 HydrophobicContact CB-CE1 4.36Å; I854-Y934 HydrophobicContact CG2-CE1 4.18Å; I854-Y934 HydrophobicContact CG2-CE2 4.11Å; V855-Y934 HydrophobicContact CG2-CD1 3.64Å; V855-Y934 HydrophobicContact CG2-CE1 3.51Å; L858-Y934 HydrophobicContact CD1-CG 4.45Å; N930-Y934 WeakPolarHBondContact O-CB 3.31Å; N930-Y934 PolarHBondContact O-N 3.45Å; Q931-Y934 PolarHBondContact O-N 3.12Å; G932-Y934 PolarHBondContact O-N 2.89Å; Y934-N938 VanDerWaalsContact CE2-ND2 3.28Å; Y934-N938 WeakPolarHBondContact CE2-ND2 3.45Å; Y934-N938 PolarHBondContact O-N 3.41Å; Y934-I940 HydrophobicContact CD1-CD1 4.03Å; Y934-I940 HydrophobicContact CE1-CD1 3.71Å |
| 935 | I | 76.3 | Confident | 71.5 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 178.5 | -64.2 | 166.3 | 0 | 0 | 0 | 110.6 | V855 Q931 G932 Y933 N939 I940 P964 L967 | V855-I935 HydrophobicContact CG1-CD1 4.2Å; V855-I935 HydrophobicContact CG1-CG1 4.2Å; Q931-I935 HydrophobicContact CG-CD1 4.19Å; Q931-I935 WeakPolarHBondContact O-CG1 3.19Å; Q931-I935 PolarHBondContact O-N 3.44Å; G932-I935 PolarHBondContact O-N 3.39Å; Y933-I935 PolarHBondContact O-N 3.26Å; I935-N939 PolarHBondContact O-N 2.82Å; I935-I940 PolarHBondContact O-N 3.43Å; I935-P964 HydrophobicContact CB-CG 4.13Å; I935-P964 HydrophobicContact CG2-CG 3.66Å; I935-L967 HydrophobicContact CD1-CD1 3.93Å |
| 936 | Q | 74.3 | Confident | 69.3 | Low | 86 Ų | 86 | 56.6 Ų | 56.6 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 179.5 | -170.3 | -179.3 | 11.8 | 0 | 0 | 112.1 | G932 Y933 N939 | G932-Q936 PolarHBondContact O-N 2.83Å; G932-Q936 VanDerWaalsContact O-N 3.08Å; Y933-Q936 PolarHBondContact O-N 3.36Å; Q936-N939 PolarHBondContact O-OD1 3.14Å |
| 937 | R | 68.2 | Low | 67 | Low | 98 Ų | 98 | 63.6 Ų | 63.6 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.9 | -34.9 | -174.8 | -170.7 | 174.9 | -178.6 | -160.2 | -8.4 | 114 | D818 Y933 | D818-R937 IonicContact OD1-CZ 2.65Å; D818-R937 IonicContact OD1-NH1 3.09Å; D818-R937 PolarHBondContact OD1-NH1 3.39Å; D818-R937 IonicContact OD2-CZ 2.82Å; D818-R937 IonicContact OD2-NE 2.97Å; D818-R937 IonicContact OD2-NH1 3.72Å; D818-R937 PolarHBondContact OD2-NH1 3.5Å; D818-R937 IonicContact OD2-NH2 3.02Å; D818-R937 PolarHBondContact OD2-NH2 2.94Å; Y933-R937 WeakPolarHBondContact O-CB 2.96Å; Y933-R937 PolarHBondContact O-N 2.93Å |
| 938 | N | 67.2 | Low | 64.8 | Low | 46 Ų | 46 | 66.8 Ų | 66.8 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 3.6 | -178.3 | -73.9 | -35.5 | 0 | 0 | 0 | 113.4 | Y934 I940 | Y934-N938 VanDerWaalsContact CE2-ND2 3.28Å; Y934-N938 WeakPolarHBondContact CE2-ND2 3.45Å; Y934-N938 PolarHBondContact O-N 3.41Å; N938-I940 HydrophobicContact CB-CD1 3.84Å; N938-I940 HydrophobicContact CB-CG1 3.57Å; N938-I940 PolarHBondContact O-N 3.14Å; N938-I940 VanDerWaalsContact O-N 3.12Å |
| 939 | N | 63.5 | Low | 62.3 | Low | 147 Ų | 147 | 71.9 Ų | 71.9 | 79% | 0.786 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 41.8 | -175.3 | -72.2 | -20.4 | 0 | 0 | 0 | 112.3 | I935 Q936 S941 | I935-N939 PolarHBondContact O-N 2.82Å; Q936-N939 PolarHBondContact O-OD1 3.14Å; N939-S941 PolarHBondContact O-N 3.07Å |
| 940 | I | 63.5 | Low | 60.2 | Low | 29 Ų | 29 | 79.8 Ų | 79.8 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | trans | -70.6 | 108.7 | -175.6 | -60.2 | 174.5 | 0 | 0 | 0 | 107.7 | V855 Y934 I935 N938 S944 F945 | V855-I940 HydrophobicContact CG2-CD1 3.85Å; Y934-I940 HydrophobicContact CD1-CD1 4.03Å; Y934-I940 HydrophobicContact CE1-CD1 3.71Å; I935-I940 PolarHBondContact O-N 3.43Å; N938-I940 HydrophobicContact CB-CD1 3.84Å; N938-I940 HydrophobicContact CB-CG1 3.57Å; N938-I940 PolarHBondContact O-N 3.14Å; N938-I940 VanDerWaalsContact O-N 3.12Å; I940-S944 WeakPolarHBondContact CG2-OG 2.87Å; I940-F945 HydrophobicContact CG2-CD2 4.19Å; I940-F945 HydrophobicContact CG2-CE2 3.73Å | ||
| 941 | S | 55.4 | Low | 58.2 | Low | 54 Ų | 54 | 79.8 Ų | 79.8 | 38% | 0.378 | 40% | 0.401 | S | S | . | . | trans | -61.2 | 144.4 | 172.9 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | N939 E943 S944 | N939-S941 PolarHBondContact O-N 3.07Å; S941-E943 PolarHBondContact O-N 2.97Å; S941-E943 VanDerWaalsContact O-N 3.09Å; S941-S944 PolarHBondContact O-N 2.87Å; S941-S944 VanDerWaalsContact O-N 3.13Å; S941-S944 PolarHBondContact O-OG 3.15Å; S941-S944 PolarHBondContact OG-N 2.91Å; S941-S944 PolarHBondContact OG-OG 2.66Å | ||
| 942 | P | 51.5 | Low | 56.2 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -53.4 | -32 | 172.8 | -21.6 | 29.9 | 0 | 0 | 0 | 112.3 | S944 I961 | P942-S944 PolarHBondContact O-N 3.39Å; P942-I961 HydrophobicContact CB-CD1 4.39Å; P942-I961 WeakPolarHBondContact O-CD1 3.4Å |
| 943 | E | 46.1 | Very low | 54.5 | Low | 155 Ų | 155 | 95.5 Ų | 95.5 | 72% | 0.724 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -70.4 | -26.9 | -177.7 | -63.5 | -176.3 | 173.1 | 0 | 0 | 114.2 | S941 F945 I946 | S941-E943 PolarHBondContact O-N 2.97Å; S941-E943 VanDerWaalsContact O-N 3.09Å; E943-F945 PolarHBondContact O-N 2.83Å; E943-I946 PolarHBondContact O-N 3.03Å |
| 944 | S | 48 | Very low | 52.9 | Low | 57 Ų | 57 | 91.1 Ų | 91.1 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -69.5 | -16.7 | -179.2 | 43.6 | 0 | 0 | 0 | 0 | 114.4 | I940 S941 P942 I946 | I940-S944 WeakPolarHBondContact CG2-OG 2.87Å; S941-S944 PolarHBondContact O-N 2.87Å; S941-S944 VanDerWaalsContact O-N 3.13Å; S941-S944 PolarHBondContact O-OG 3.15Å; S941-S944 PolarHBondContact OG-N 2.91Å; S941-S944 PolarHBondContact OG-OG 2.66Å; P942-S944 PolarHBondContact O-N 3.39Å; S944-I946 VanDerWaalsContact C-N 3.31Å; S944-I946 PolarHBondContact O-N 3.08Å |
| 945 | F | 46.4 | Very low | 51 | Low | 30 Ų | 30 | 93.5 Ų | 93.5 | 13% | 0.132 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -68 | -29.2 | 176.4 | -88.6 | -91.3 | 0 | 0 | 0 | 113.7 | V855 T856 I940 E943 K947 I961 | V855-F945 HydrophobicContact CB-CE1 3.74Å; V855-F945 HydrophobicContact CB-CZ 3.45Å; V855-F945 VanDerWaalsContact CB-CZ 3.45Å; V855-F945 HydrophobicContact CG1-CE1 3.94Å; V855-F945 HydrophobicContact CG1-CZ 3.42Å; V855-F945 VanDerWaalsContact CG1-CZ 3.42Å; V855-F945 HydrophobicContact CG2-CE1 4.47Å; V855-F945 HydrophobicContact CG2-CZ 3.85Å; T856-F945 HydrophobicContact CG2-CD1 4.38Å; T856-F945 HydrophobicContact CG2-CE1 4.21Å; I940-F945 HydrophobicContact CG2-CD2 4.19Å; I940-F945 HydrophobicContact CG2-CE2 3.73Å; E943-F945 PolarHBondContact O-N 2.83Å; F945-K947 VanDerWaalsContact C-N 3.28Å; F945-K947 PolarHBondContact O-N 3.06Å; F945-I961 HydrophobicContact CB-CD1 3.92Å; F945-I961 HydrophobicContact CD2-CD1 3.91Å; F945-I961 HydrophobicContact CG-CD1 3.98Å |
| 946 | I | 40.4 | Very low | 49.4 | Very low | 133 Ų | 133 | 101.4 Ų | 101.4 | 68% | 0.682 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -77.1 | -17.5 | -170.6 | -61.2 | 171.7 | 0 | 0 | 0 | 111.4 | E943 S944 T948 | E943-I946 PolarHBondContact O-N 3.03Å; S944-I946 VanDerWaalsContact C-N 3.31Å; S944-I946 PolarHBondContact O-N 3.08Å; I946-T948 PolarHBondContact O-N 3.36Å |
| 947 | K | 40.4 | Very low | 47.9 | Very low | 173 Ų | 173 | 99.9 Ų | 99.9 | 75% | 0.752 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -85.4 | 3.1 | -170.2 | -75.9 | -176.6 | 178.2 | 173.4 | 0 | 116.6 | F945 N949 | F945-K947 VanDerWaalsContact C-N 3.28Å; F945-K947 PolarHBondContact O-N 3.06Å; K947-N949 PolarHBondContact O-N 2.91Å |
| 948 | T | 40.6 | Very low | 47 | Very low | 68 Ų | 68 | 97.7 Ų | 97.7 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | trans | -78.6 | 74.5 | 165.9 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | I946 Q950 | I946-T948 PolarHBondContact O-N 3.36Å; T948-Q950 VanDerWaalsContact C-N 3.25Å; T948-Q950 PolarHBondContact O-N 3.46Å | ||
| 949 | N | 35.2 | Very low | 45.8 | Very low | 134 Ų | 134 | 101.3 Ų | 101.3 | 72% | 0.717 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 46 | -173.6 | -84.1 | -11.1 | 0 | 0 | 0 | 116.5 | K947 | K947-N949 PolarHBondContact O-N 2.91Š|
| 950 | Q | 42.6 | Very low | 45.1 | Very low | 188 Ų | 188 | 102.4 Ų | 102.4 | 88% | 0.879 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 20.8 | 171.1 | -71.3 | -164.4 | -14.1 | 0 | 0 | 115.8 | T948 | T948-Q950 VanDerWaalsContact C-N 3.25Å; T948-Q950 PolarHBondContact O-N 3.46Å |
| 951 | L | 41.3 | Very low | 44.6 | Very low | 44 Ų | 44 | 104 Ų | 104 | 23% | 0.23 | 53% | 0.532 | C | S | . | . | trans | -128.2 | 24.3 | -169.9 | -77.6 | 165.6 | 0 | 0 | 0 | 117 | I850 H953 I954 V955 | I850-L951 HydrophobicContact CD1-CD2 3.96Å; I850-L951 HydrophobicContact CG1-CD2 4.28Å; I850-L951 HydrophobicContact CG2-CD1 3.81Å; I850-L951 HydrophobicContact CG2-CD2 3.7Å; I850-L951 HydrophobicContact CG2-CG 4.26Å; L951-H953 PolarHBondContact O-N 2.83Å; L951-I954 HydrophobicContact CD2-CB 4.39Å; L951-I954 HydrophobicContact CD2-CD1 4Å; L951-I954 PolarHBondContact O-N 3.02Å; L951-V955 HydrophobicContact CB-CG2 4.05Å; L951-V955 WeakPolarHBondContact O-CG2 3.5Å | ||
| 952 | D | 42.1 | Very low | 44.7 | Very low | 149 Ų | 149 | 104.6 Ų | 104.6 | 80% | 0.797 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -27 | -174.1 | -67 | -10 | 0 | 0 | 0 | 115.9 | ||
| 953 | H | 45.3 | Very low | 45.6 | Very low | 188 Ų | 188 | 105.1 Ų | 105.1 | 87% | 0.87 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0 | -179.2 | -66.5 | -52.5 | 0 | 0 | 0 | 116.1 | L951 | L951-H953 PolarHBondContact O-N 2.83Š|
| 954 | I | 44.3 | Very low | 47 | Very low | 27 Ų | 27 | 99.1 Ų | 99.1 | 14% | 0.138 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -0.6 | -177.7 | -55.7 | 177 | 0 | 0 | 0 | 111.8 | V831 I850 L951 P957 F958 | V831-I954 HydrophobicContact CG1-CG2 3.57Å; I850-I954 HydrophobicContact CD1-CD1 3.48Å; I850-I954 VanDerWaalsContact CD1-CD1 3.48Å; L951-I954 HydrophobicContact CD2-CB 4.39Å; L951-I954 HydrophobicContact CD2-CD1 4Å; L951-I954 PolarHBondContact O-N 3.02Å; I954-P957 WeakPolarHBondContact O-CD 3.3Å; I954-F958 HydrophobicContact CG2-CE2 4.29Å |
| 955 | V | 38.8 | Very low | 48.5 | Very low | 55 Ų | 55 | 102 Ų | 102 | 33% | 0.333 | 51% | 0.512 | S | S | . | . | trans | -82.7 | -17.8 | -165.6 | 170.6 | 0 | 0 | 0 | 0 | 115.2 | L951 F958 | L951-V955 HydrophobicContact CB-CG2 4.05Å; L951-V955 WeakPolarHBondContact O-CG2 3.5Å; V955-F958 PolarHBondContact O-N 3.14Å | ||
| 956 | E | 41.5 | Very low | 50.1 | Low | 178 Ų | 178 | 105.3 Ų | 105.3 | 83% | 0.832 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -52.3 | -44.8 | -178.8 | -76.4 | -168.1 | 164.4 | 0 | 0 | 115.1 | F958 | E956-F958 VanDerWaalsContact C-N 3.28Å; E956-F958 PolarHBondContact O-N 2.87Å |
| 957 | P | 43.9 | Very low | 52.2 | Low | 54 Ų | 54 | 99 Ų | 99 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -72.3 | -12.6 | 177.2 | 25.2 | -33.3 | 0 | 0 | 0 | 115.2 | I954 | I954-P957 WeakPolarHBondContact O-CD 3.3Š|
| 958 | F | 48.5 | Very low | 54.4 | Low | 53 Ų | 53 | 91.5 Ų | 91.5 | 23% | 0.232 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -99.9 | 0.7 | -173.9 | -68.4 | -77.9 | 0 | 0 | 0 | 114.6 | V831 T856 L860 I954 V955 E956 F960 | V831-F958 HydrophobicContact CG1-CE2 4.19Å; V831-F958 HydrophobicContact CG1-CZ 4.33Å; T856-F958 HydrophobicContact CG2-CD1 4.43Å; L860-F958 HydrophobicContact CD1-CZ 4.43Å; L860-F958 HydrophobicContact CD2-CE1 4.15Å; L860-F958 HydrophobicContact CD2-CZ 3.74Å; L860-F958 HydrophobicContact CG-CE1 4.05Å; L860-F958 HydrophobicContact CG-CZ 3.98Å; I954-F958 HydrophobicContact CG2-CE2 4.29Å; V955-F958 PolarHBondContact O-N 3.14Å; E956-F958 VanDerWaalsContact C-N 3.28Å; E956-F958 PolarHBondContact O-N 2.87Å; F958-F960 PolarHBondContact O-N 3.5Å |
| 959 | N | 42.5 | Very low | 56.6 | Low | 121 Ų | 121 | 95.9 Ų | 95.9 | 65% | 0.647 | 47% | 0.472 | S | S | * | . | trans | -73.6 | -0.9 | 179.8 | -81.5 | -14.6 | 0 | 0 | 0 | 114.8 | I961 | N959-I961 PolarHBondContact O-N 2.98Š| ||
| 960 | F | 49.4 | Very low | 59 | Low | 171 Ų | 171 | 92.2 Ų | 92.2 | 75% | 0.75 | 45% | 0.453 | S | S | * | . | trans | -95.7 | 86.8 | 173.6 | -74.6 | -82.7 | 0 | 0 | 0 | 111 | F958 M962 | F958-F960 PolarHBondContact O-N 3.5Å; F960-M962 PolarHBondContact O-N 3.41Å | ||
| 961 | I | 51.8 | Low | 61.2 | Low | 63 Ų | 63 | 83.3 Ų | 83.3 | 32% | 0.323 | 41% | 0.411 | S | S | . | . | trans | -79.9 | 108.7 | 165.6 | -57 | 172.6 | 0 | 0 | 0 | 106.9 | P942 F945 N959 | P942-I961 HydrophobicContact CB-CD1 4.39Å; P942-I961 WeakPolarHBondContact O-CD1 3.4Å; F945-I961 HydrophobicContact CB-CD1 3.92Å; F945-I961 HydrophobicContact CD2-CD1 3.91Å; F945-I961 HydrophobicContact CG-CD1 3.98Å; N959-I961 PolarHBondContact O-N 2.98Å | ||
| 962 | M | 58.5 | Low | 63.5 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | trans | -74.9 | 138.6 | 170.3 | -67.2 | -170.8 | -152.7 | 0 | 0 | 109.9 | F960 E966 L967 L970 | F960-M962 PolarHBondContact O-N 3.41Å; M962-E966 HydrophobicContact CB-CB 4.5Å; M962-L967 HydrophobicContact CB-CD1 4.29Å; M962-L967 HydrophobicContact CB-CD2 4.04Å; M962-L967 HydrophobicContact CB-CG 3.79Å; M962-L967 HydrophobicContact CG-CD2 4.43Å; M962-L967 HydrophobicContact SD-CD2 3.61Å; M962-L967 HydrophobicContact SD-CG 4.23Å; M962-L970 HydrophobicContact CE-CD1 3.97Å; M962-L970 HydrophobicContact SD-CD1 3.42Å; M962-L970 WeakPolarHBondContact SD-CD1 3.31Å | ||
| 963 | I | 70.8 | Confident | 65.8 | Low | 101 Ų | 101 | 78.3 Ų | 78.3 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | trans | -69.4 | 144.7 | 173.6 | -59.9 | 172.1 | 0 | 0 | 0 | 108 | N965 E966 L967 | I963-N965 HydrophobicContact CG2-CB 4.5Å; I963-N965 PolarHBondContact O-N 3.49Å; I963-E966 HydrophobicContact CB-CG 4.28Å; I963-E966 PolarHBondContact N-OE2 2.84Å; I963-E966 WeakPolarHBondContact O-CB 3.5Å; I963-E966 PolarHBondContact O-N 2.94Å; I963-L967 PolarHBondContact O-N 3.39Å | ||
| 964 | P | 75 | Confident | 67.9 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -47.3 | -41.2 | 179.4 | -31.2 | 35.8 | 0 | 0 | 0 | 114 | I935 E966 L967 F968 | I935-P964 HydrophobicContact CB-CG 4.13Å; I935-P964 HydrophobicContact CG2-CG 3.66Å; P964-E966 VanDerWaalsContact C-N 3.34Å; P964-E966 PolarHBondContact O-N 2.69Å; P964-L967 WeakPolarHBondContact O-CB 3.36Å; P964-L967 PolarHBondContact O-N 3.33Å; P964-F968 HydrophobicContact CB-CE2 3.97Å; P964-F968 HydrophobicContact CB-CZ 4.45Å; P964-F968 WeakPolarHBondContact O-CD2 3.45Å; P964-F968 VanDerWaalsContact O-CG 3.28Å; P964-F968 WeakPolarHBondContact O-CG 3.48Å; P964-F968 PolarHBondContact O-N 3.1Å |
| 965 | N | 78.6 | Confident | 70.1 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.5 | -35.2 | 179.1 | -65.3 | 0.1 | 0 | 0 | 0 | 113.4 | I963 F968 Y969 | I963-N965 HydrophobicContact CG2-CB 4.5Å; I963-N965 PolarHBondContact O-N 3.49Å; N965-F968 PolarHBondContact O-N 3.47Å; N965-Y969 PolarHBondContact O-N 3.44Å; N965-Y969 VanDerWaalsContact O-N 3.07Å |
| 966 | E | 81.6 | Confident | 72.5 | Confident | 99 Ų | 99 | 70 Ų | 70 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 176 | -64.7 | 176.2 | 156.1 | 0 | 0 | 111.1 | M962 I963 P964 F968 Y969 L970 | M962-E966 HydrophobicContact CB-CB 4.5Å; I963-E966 HydrophobicContact CB-CG 4.28Å; I963-E966 PolarHBondContact N-OE2 2.84Å; I963-E966 WeakPolarHBondContact O-CB 3.5Å; I963-E966 PolarHBondContact O-N 2.94Å; P964-E966 VanDerWaalsContact C-N 3.34Å; P964-E966 PolarHBondContact O-N 2.69Å; E966-F968 VanDerWaalsContact C-N 3.34Å; E966-Y969 PolarHBondContact O-N 2.96Å; E966-L970 WeakPolarHBondContact O-CB 3.33Å; E966-L970 VanDerWaalsContact O-CG 3.31Å; E966-L970 WeakPolarHBondContact O-CG 3.34Å; E966-L970 PolarHBondContact O-N 3.18Å |
| 967 | L | 83.8 | Confident | 74.8 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.5 | -72.8 | 168.3 | 0 | 0 | 0 | 111.7 | Q931 I935 M962 I963 P964 L970 S971 | Q931-L967 HydrophobicContact CB-CD1 4.16Å; Q931-L967 HydrophobicContact CG-CD1 3.73Å; I935-L967 HydrophobicContact CD1-CD1 3.93Å; M962-L967 HydrophobicContact CB-CD1 4.29Å; M962-L967 HydrophobicContact CB-CD2 4.04Å; M962-L967 HydrophobicContact CB-CG 3.79Å; M962-L967 HydrophobicContact CG-CD2 4.43Å; M962-L967 HydrophobicContact SD-CD2 3.61Å; M962-L967 HydrophobicContact SD-CG 4.23Å; I963-L967 PolarHBondContact O-N 3.39Å; P964-L967 WeakPolarHBondContact O-CB 3.36Å; P964-L967 PolarHBondContact O-N 3.33Å; L967-L970 PolarHBondContact O-N 2.91Å; L967-S971 WeakPolarHBondContact O-CB 3.25Å; L967-S971 PolarHBondContact O-N 2.99Å; L967-S971 PolarHBondContact O-OG 2.92Å |
| 968 | F | 86.4 | Confident | 76.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.5 | -61.2 | -41.4 | 0 | 0 | 0 | 111.4 | P964 N965 E966 L970 S971 E972 V1040 T1043 | P964-F968 HydrophobicContact CB-CE2 3.97Å; P964-F968 HydrophobicContact CB-CZ 4.45Å; P964-F968 WeakPolarHBondContact O-CD2 3.45Å; P964-F968 VanDerWaalsContact O-CG 3.28Å; P964-F968 WeakPolarHBondContact O-CG 3.48Å; P964-F968 PolarHBondContact O-N 3.1Å; N965-F968 PolarHBondContact O-N 3.47Å; E966-F968 VanDerWaalsContact C-N 3.34Å; F968-L970 PolarHBondContact O-N 3.42Å; F968-S971 WeakPolarHBondContact CA-OG 3.28Å; F968-S971 PolarHBondContact O-N 2.65Å; F968-S971 PolarHBondContact O-OG 3.35Å; F968-E972 PolarHBondContact O-N 2.87Å; F968-V1040 HydrophobicContact CB-CG1 4.36Å; F968-T1043 HydrophobicContact CE1-CG2 4.03Å; F968-T1043 HydrophobicContact CZ-CG2 4.04Å |
| 969 | Y | 86.5 | Confident | 78.9 | Confident | 161 Ų | 161 | 60.9 Ų | 60.9 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 175.7 | -177.3 | -98.9 | 0 | 0 | 0 | 112.8 | N965 E966 E972 S973 | N965-Y969 PolarHBondContact O-N 3.44Å; N965-Y969 VanDerWaalsContact O-N 3.07Å; E966-Y969 PolarHBondContact O-N 2.96Å; Y969-E972 WeakPolarHBondContact O-CB 3.21Å; Y969-E972 PolarHBondContact O-N 2.93Å; Y969-S973 PolarHBondContact O-N 2.93Å; Y969-S973 PolarHBondContact O-OG 3.4Å |
| 970 | L | 86.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175 | -73.1 | 172.9 | 0 | 0 | 0 | 111.7 | Q928 M962 E966 L967 F968 E972 S973 T974 | Q928-L970 VanDerWaalsContact OE1-C 3.24Å; Q928-L970 PolarHBondContact OE1-O 2.97Å; M962-L970 HydrophobicContact CE-CD1 3.97Å; M962-L970 HydrophobicContact SD-CD1 3.42Å; M962-L970 WeakPolarHBondContact SD-CD1 3.31Å; E966-L970 WeakPolarHBondContact O-CB 3.33Å; E966-L970 VanDerWaalsContact O-CG 3.31Å; E966-L970 WeakPolarHBondContact O-CG 3.34Å; E966-L970 PolarHBondContact O-N 3.18Å; L967-L970 PolarHBondContact O-N 2.91Å; F968-L970 PolarHBondContact O-N 3.42Å; L970-E972 VanDerWaalsContact C-N 3.29Å; L970-E972 PolarHBondContact O-N 3.42Å; L970-S973 PolarHBondContact O-N 3.07Å; L970-S973 PolarHBondContact O-OG 2.89Å; L970-T974 WeakPolarHBondContact O-CB 3.46Å; L970-T974 VanDerWaalsContact O-CG2 3.24Å; L970-T974 WeakPolarHBondContact O-CG2 3.42Å; L970-T974 PolarHBondContact O-N 3.49Å; L970-T974 PolarHBondContact O-OG1 3.44Å |
| 971 | S | 88.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177 | 74.7 | 0 | 0 | 0 | 0 | 111.9 | G925 L967 F968 T974 L975 V1040 | G925-S971 WeakPolarHBondContact O-CB 3.47Å; L967-S971 WeakPolarHBondContact O-CB 3.25Å; L967-S971 PolarHBondContact O-N 2.99Å; L967-S971 PolarHBondContact O-OG 2.92Å; F968-S971 WeakPolarHBondContact CA-OG 3.28Å; F968-S971 PolarHBondContact O-N 2.65Å; F968-S971 PolarHBondContact O-OG 3.35Å; S971-T974 WeakPolarHBondContact CA-OG1 3.4Å; S971-T974 PolarHBondContact O-OG1 3.48Å; S971-L975 WeakPolarHBondContact O-CB 3.26Å; S971-L975 WeakPolarHBondContact O-CD1 3.49Å; S971-L975 WeakPolarHBondContact O-CG 3.34Å; S971-L975 PolarHBondContact O-N 2.82Å; S971-L975 VanDerWaalsContact O-N 3.09Å; S971-V1040 VanDerWaalsContact OG-CG2 3.26Å; S971-V1040 WeakPolarHBondContact OG-CG2 3.39Å |
| 972 | E | 89.6 | Confident | 84.7 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -50.3 | 176.7 | -164.4 | -170.5 | 151.4 | 0 | 0 | 111.5 | F968 Y969 L970 T974 L975 K976 L1037 V1040 Y1041 | F968-E972 PolarHBondContact O-N 2.87Å; Y969-E972 WeakPolarHBondContact O-CB 3.21Å; Y969-E972 PolarHBondContact O-N 2.93Å; L970-E972 VanDerWaalsContact C-N 3.29Å; L970-E972 PolarHBondContact O-N 3.42Å; E972-T974 VanDerWaalsContact C-N 3.35Å; E972-T974 PolarHBondContact O-N 2.91Å; E972-L975 PolarHBondContact O-N 3.39Å; E972-K976 HydrophobicContact CG-CD 4.26Å; E972-K976 WeakPolarHBondContact O-CB 3.38Å; E972-K976 WeakPolarHBondContact O-CG 3.12Å; E972-K976 PolarHBondContact O-N 3.34Å; E972-K976 WeakPolarHBondContact OE1-CE 3.39Å; E972-K976 IonicContact OE1-NZ 3.65Å; E972-K976 PolarHBondContact OE1-NZ 3.4Å; E972-L1037 HydrophobicContact CG-CD2 4.41Å; E972-V1040 HydrophobicContact CB-CG1 4.21Å; E972-Y1041 HydrophobicContact CG-CE1 4.42Å |
| 973 | S | 90 | Very high | 86.1 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | -179 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | Y969 L970 N977 | Y969-S973 PolarHBondContact O-N 2.93Å; Y969-S973 PolarHBondContact O-OG 3.4Å; L970-S973 PolarHBondContact O-N 3.07Å; L970-S973 PolarHBondContact O-OG 2.89Å; S973-N977 WeakPolarHBondContact O-CB 3.24Å; S973-N977 PolarHBondContact O-N 3.39Å; S973-N977 VanDerWaalsContact O-N 3.07Å; S973-N977 PolarHBondContact O-ND2 3.24Å |
| 974 | T | 89.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.9 | -40.1 | -179.1 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | L924 G925 Q928 L970 S971 E972 N977 A978 | L924-T974 HydrophobicContact CD2-CG2 3.58Å; G925-T974 VanDerWaalsContact CA-OG1 3.26Å; G925-T974 WeakPolarHBondContact CA-OG1 3.49Å; Q928-T974 PolarHBondContact OE1-OG1 3.38Å; L970-T974 WeakPolarHBondContact O-CB 3.46Å; L970-T974 VanDerWaalsContact O-CG2 3.24Å; L970-T974 WeakPolarHBondContact O-CG2 3.42Å; L970-T974 PolarHBondContact O-N 3.49Å; L970-T974 PolarHBondContact O-OG1 3.44Å; S971-T974 WeakPolarHBondContact CA-OG1 3.4Å; S971-T974 PolarHBondContact O-OG1 3.48Å; E972-T974 VanDerWaalsContact C-N 3.35Å; E972-T974 PolarHBondContact O-N 2.91Å; T974-N977 PolarHBondContact O-N 3.35Å; T974-A978 PolarHBondContact O-N 3.02Å |
| 975 | L | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68 | -41 | 175.9 | -69.8 | 171.5 | 0 | 0 | 0 | 112.1 | S971 E972 A978 L979 A1033 S1036 L1037 V1040 | S971-L975 WeakPolarHBondContact O-CB 3.26Å; S971-L975 WeakPolarHBondContact O-CD1 3.49Å; S971-L975 WeakPolarHBondContact O-CG 3.34Å; S971-L975 PolarHBondContact O-N 2.82Å; S971-L975 VanDerWaalsContact O-N 3.09Å; E972-L975 PolarHBondContact O-N 3.39Å; L975-A978 WeakPolarHBondContact O-CB 3.11Å; L975-A978 PolarHBondContact O-N 3.25Å; L975-L979 WeakPolarHBondContact O-CG 3.49Å; L975-L979 PolarHBondContact O-N 3.41Å; L975-A1033 HydrophobicContact CD2-CB 4.48Å; L975-S1036 WeakPolarHBondContact CD1-OG 3.48Å; L975-S1036 VanDerWaalsContact CD2-OG 3.26Å; L975-S1036 WeakPolarHBondContact CD2-OG 3.42Å; L975-L1037 HydrophobicContact CB-CD1 4.27Å; L975-L1037 HydrophobicContact CB-CG 4.4Å; L975-V1040 HydrophobicContact CD1-CG2 4.19Å |
| 976 | K | 90.6 | Very high | 87.6 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.6 | -75.3 | 178.6 | 174.9 | 175.5 | 0 | 111.8 | E972 A978 L979 Q980 L1037 Y1041 | E972-K976 HydrophobicContact CG-CD 4.26Å; E972-K976 WeakPolarHBondContact O-CB 3.38Å; E972-K976 WeakPolarHBondContact O-CG 3.12Å; E972-K976 PolarHBondContact O-N 3.34Å; E972-K976 WeakPolarHBondContact OE1-CE 3.39Å; E972-K976 IonicContact OE1-NZ 3.65Å; E972-K976 PolarHBondContact OE1-NZ 3.4Å; K976-A978 VanDerWaalsContact C-N 3.34Å; K976-A978 PolarHBondContact O-N 3.42Å; K976-L979 PolarHBondContact O-N 3.04Å; K976-Q980 WeakPolarHBondContact O-CG 3.36Å; K976-Q980 PolarHBondContact O-N 3.14Å; K976-Q980 VanDerWaalsContact O-N 3.08Å; K976-L1037 HydrophobicContact CG-CD1 4.05Å; K976-Y1041 PolarHBondContact NZ-OH 2.92Å |
| 977 | N | 88.9 | Confident | 87.7 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 174.9 | -71.5 | -16.4 | 0 | 0 | 0 | 112.3 | S973 T974 L981 | S973-N977 WeakPolarHBondContact O-CB 3.24Å; S973-N977 PolarHBondContact O-N 3.39Å; S973-N977 VanDerWaalsContact O-N 3.07Å; S973-N977 PolarHBondContact O-ND2 3.24Å; T974-N977 PolarHBondContact O-N 3.35Å; N977-L981 WeakPolarHBondContact O-CG 3.34Å; N977-L981 PolarHBondContact O-N 2.93Å |
| 978 | A | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L921 I922 T974 L975 K976 L981 L982 | L921-A978 HydrophobicContact CB-CB 3.71Å; L921-A978 HydrophobicContact CD1-CB 4.38Å; I922-A978 HydrophobicContact CG1-CB 3.77Å; T974-A978 PolarHBondContact O-N 3.02Å; L975-A978 WeakPolarHBondContact O-CB 3.11Å; L975-A978 PolarHBondContact O-N 3.25Å; K976-A978 VanDerWaalsContact C-N 3.34Å; K976-A978 PolarHBondContact O-N 3.42Å; A978-L981 PolarHBondContact O-N 3.35Å; A978-L982 WeakPolarHBondContact O-CG 3.37Å; A978-L982 PolarHBondContact O-N 2.72Å |
| 979 | L | 89.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.8 | -76.7 | 169.8 | 0 | 0 | 0 | 111.5 | L975 K976 L981 L982 D983 Q1030 A1033 W1034 L1037 | L975-L979 WeakPolarHBondContact O-CG 3.49Å; L975-L979 PolarHBondContact O-N 3.41Å; K976-L979 PolarHBondContact O-N 3.04Å; L979-L981 VanDerWaalsContact C-N 3.27Å; L979-L981 PolarHBondContact O-N 3.24Å; L979-L982 PolarHBondContact O-N 2.89Å; L979-D983 VanDerWaalsContact O-CG 3.27Å; L979-D983 PolarHBondContact O-N 3.38Å; L979-Q1030 HydrophobicContact CD2-CB 4.36Å; L979-Q1030 HydrophobicContact CD2-CG 4.32Å; L979-A1033 HydrophobicContact CD1-CB 4.45Å; L979-A1033 HydrophobicContact CD2-CB 3.69Å; L979-A1033 HydrophobicContact CG-CB 3.88Å; L979-W1034 HydrophobicContact CD1-CD2 3.9Å; L979-W1034 HydrophobicContact CD1-CE3 4.3Å; L979-W1034 HydrophobicContact CD1-CG 4.31Å; L979-W1034 HydrophobicContact CD1-CH2 4.42Å; L979-W1034 HydrophobicContact CD1-CZ2 4.02Å; L979-W1034 HydrophobicContact CD2-CD2 4.5Å; L979-W1034 HydrophobicContact CD2-CG 4.25Å; L979-L1037 HydrophobicContact CD1-CD1 3.77Å |
| 980 | Q | 89.4 | Confident | 87.2 | Confident | 121 Ų | 121 | 40.1 Ų | 40.1 | 57% | 0.565 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -56.3 | -40.5 | 176.5 | -72 | 177.6 | -5.3 | 0 | 0 | 112.5 | K976 N984 | K976-Q980 WeakPolarHBondContact O-CG 3.36Å; K976-Q980 PolarHBondContact O-N 3.14Å; K976-Q980 VanDerWaalsContact O-N 3.08Å; Q980-N984 VanDerWaalsContact O-CG 3.23Å; Q980-N984 PolarHBondContact O-N 3.47Å; Q980-N984 VanDerWaalsContact O-N 3.15Å; Q980-N984 PolarHBondContact O-ND2 3.04Å |
| 981 | L | 87.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.4 | -38.4 | 176.1 | -68.7 | 176.2 | 0 | 0 | 0 | 112.7 | L914 I917 L921 N977 A978 L979 L985 | L914-L981 HydrophobicContact CD2-CD2 3.95Å; I917-L981 HydrophobicContact CG2-CD1 4.09Å; L921-L981 HydrophobicContact CD1-CD1 3.68Å; N977-L981 WeakPolarHBondContact O-CG 3.34Å; N977-L981 PolarHBondContact O-N 2.93Å; A978-L981 PolarHBondContact O-N 3.35Å; L979-L981 VanDerWaalsContact C-N 3.27Å; L979-L981 PolarHBondContact O-N 3.24Å; L981-L985 WeakPolarHBondContact O-CG 3.34Å; L981-L985 PolarHBondContact O-N 3.04Å |
| 982 | L | 88.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.3 | -35.6 | 177.6 | -73.4 | 167.5 | 0 | 0 | 0 | 112.2 | L915 S918 I922 A978 L979 L985 S986 I1026 L1029 Q1030 | L915-L982 HydrophobicContact CD1-CD2 4.17Å; S918-L982 WeakPolarHBondContact OG-CD2 3.45Å; I922-L982 HydrophobicContact CD1-CD1 3.72Å; A978-L982 WeakPolarHBondContact O-CG 3.37Å; A978-L982 PolarHBondContact O-N 2.72Å; L979-L982 PolarHBondContact O-N 2.89Å; L982-L985 HydrophobicContact CD2-CD1 4.32Å; L982-L985 WeakPolarHBondContact O-CB 3.19Å; L982-L985 PolarHBondContact O-N 3.28Å; L982-S986 WeakPolarHBondContact O-CB 3.36Å; L982-S986 PolarHBondContact O-N 2.84Å; L982-I1026 HydrophobicContact CB-CG2 4.35Å; L982-I1026 HydrophobicContact CD2-CG1 4.35Å; L982-I1026 HydrophobicContact CD2-CG2 4.09Å; L982-L1029 HydrophobicContact CD1-CB 3.85Å; L982-L1029 HydrophobicContact CD2-CB 4.24Å; L982-L1029 HydrophobicContact CD2-CD1 4.23Å; L982-Q1030 HydrophobicContact CB-CG 3.74Å; L982-Q1030 HydrophobicContact CD1-CG 3.95Å; L982-Q1030 HydrophobicContact CG-CG 4.41Å |
| 983 | D | 87.4 | Confident | 86 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 175.3 | -67.2 | -19.3 | 0 | 0 | 0 | 110.1 | L979 L985 S986 S987 Q1030 | L979-D983 VanDerWaalsContact O-CG 3.27Å; L979-D983 PolarHBondContact O-N 3.38Å; D983-L985 VanDerWaalsContact C-N 3.33Å; D983-L985 PolarHBondContact O-N 2.91Å; D983-S986 PolarHBondContact O-N 3.46Å; D983-S986 PolarHBondContact O-OG 3.5Å; D983-S987 PolarHBondContact O-N 3.24Å; D983-Q1030 PolarHBondContact OD1-NE2 2.91Å |
| 984 | N | 84.8 | Confident | 85.5 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 172.8 | -68.3 | -12.1 | 0 | 0 | 0 | 111.6 | Q980 S987 I988 | Q980-N984 VanDerWaalsContact O-CG 3.23Å; Q980-N984 PolarHBondContact O-N 3.47Å; Q980-N984 VanDerWaalsContact O-N 3.15Å; Q980-N984 PolarHBondContact O-ND2 3.04Å; N984-S987 PolarHBondContact O-N 3.42Å; N984-S987 PolarHBondContact O-OG 3.21Å; N984-I988 WeakPolarHBondContact O-CG1 3.4Å; N984-I988 PolarHBondContact O-N 3.48Å; N984-I988 VanDerWaalsContact O-N 3.08Å |
| 985 | L | 85.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.7 | -80 | 172.1 | 0 | 0 | 0 | 113.5 | P911 L914 L915 L981 L982 D983 S987 I988 Y989 I1026 | P911-L985 HydrophobicContact CB-CD2 3.99Å; P911-L985 VanDerWaalsContact O-CD2 3.32Å; P911-L985 WeakPolarHBondContact O-CD2 3.2Å; L914-L985 HydrophobicContact CB-CD1 3.86Å; L914-L985 HydrophobicContact CB-CD2 3.58Å; L914-L985 HydrophobicContact CB-CG 3.9Å; L914-L985 HydrophobicContact CD1-CD2 4.16Å; L915-L985 HydrophobicContact CB-CD1 4.06Å; L915-L985 HydrophobicContact CD1-CD1 4.31Å; L981-L985 WeakPolarHBondContact O-CG 3.34Å; L981-L985 PolarHBondContact O-N 3.04Å; L982-L985 HydrophobicContact CD2-CD1 4.32Å; L982-L985 WeakPolarHBondContact O-CB 3.19Å; L982-L985 PolarHBondContact O-N 3.28Å; D983-L985 VanDerWaalsContact C-N 3.33Å; D983-L985 PolarHBondContact O-N 2.91Å; L985-S987 VanDerWaalsContact C-N 3.26Å; L985-S987 PolarHBondContact O-N 2.82Å; L985-I988 PolarHBondContact O-N 2.85Å; L985-Y989 HydrophobicContact CD2-CE2 4.23Å; L985-Y989 VanDerWaalsContact O-CD2 3.32Å; L985-Y989 WeakPolarHBondContact O-CD2 3.47Å; L985-Y989 PolarHBondContact O-N 3.49Å; L985-I1026 HydrophobicContact CB-CD1 4.08Å |
| 986 | S | 85.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 177.8 | 76.2 | 0 | 0 | 0 | 0 | 111 | L982 D983 G990 | L982-S986 WeakPolarHBondContact O-CB 3.36Å; L982-S986 PolarHBondContact O-N 2.84Å; D983-S986 PolarHBondContact O-N 3.46Å; D983-S986 PolarHBondContact O-OG 3.5Å; S986-G990 PolarHBondContact O-N 2.97Å |
| 987 | S | 83.7 | Confident | 83.1 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 173.5 | 70.1 | 0 | 0 | 0 | 0 | 111.8 | D983 N984 L985 Y989 G990 E991 | D983-S987 PolarHBondContact O-N 3.24Å; N984-S987 PolarHBondContact O-N 3.42Å; N984-S987 PolarHBondContact O-OG 3.21Å; L985-S987 VanDerWaalsContact C-N 3.26Å; L985-S987 PolarHBondContact O-N 2.82Å; S987-Y989 PolarHBondContact O-N 2.83Å; S987-G990 PolarHBondContact O-N 3.45Å; S987-E991 WeakPolarHBondContact O-CG 3.28Å; S987-E991 PolarHBondContact O-N 2.93Å |
| 988 | I | 81.5 | Confident | 82.2 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 178.9 | -65.6 | 163.4 | 0 | 0 | 0 | 111.6 | P911 N984 L985 G990 E991 L992 | P911-I988 HydrophobicContact CB-CG2 4.44Å; N984-I988 WeakPolarHBondContact O-CG1 3.4Å; N984-I988 PolarHBondContact O-N 3.48Å; N984-I988 VanDerWaalsContact O-N 3.08Å; L985-I988 PolarHBondContact O-N 2.85Å; I988-G990 VanDerWaalsContact C-N 3.31Å; I988-E991 PolarHBondContact O-N 2.92Å; I988-L992 HydrophobicContact CG2-CD1 4.08Å; I988-L992 WeakPolarHBondContact O-CB 3.45Å; I988-L992 WeakPolarHBondContact O-CG 3.41Å; I988-L992 PolarHBondContact O-N 3.49Å |
| 989 | Y | 83.2 | Confident | 80.8 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.1 | -28 | 178 | -77.1 | -62.7 | 0 | 0 | 0 | 112.7 | P911 L985 S987 L992 L993 I1019 R1022 I1026 | P911-Y989 HydrophobicContact CB-CE2 4.24Å; L985-Y989 HydrophobicContact CD2-CE2 4.23Å; L985-Y989 VanDerWaalsContact O-CD2 3.32Å; L985-Y989 WeakPolarHBondContact O-CD2 3.47Å; L985-Y989 PolarHBondContact O-N 3.49Å; S987-Y989 PolarHBondContact O-N 2.83Å; Y989-L992 HydrophobicContact CD1-CD1 4.12Å; Y989-L992 HydrophobicContact CE1-CD1 4.45Å; Y989-L993 VanDerWaalsContact O-CB 3.32Å; Y989-L993 WeakPolarHBondContact O-CB 3.17Å; Y989-L993 PolarHBondContact O-N 3.43Å; Y989-I1019 HydrophobicContact CD1-CG2 4.24Å; Y989-R1022 PolarHBondContact OH-NH1 3.14Å; Y989-I1026 HydrophobicContact CD2-CD1 3.43Å; Y989-I1026 VanDerWaalsContact CD2-CD1 3.43Å; Y989-I1026 HydrophobicContact CE2-CD1 3.88Å; Y989-I1026 HydrophobicContact CG-CD1 4.45Å |
| 990 | G | 82.3 | Confident | 79.4 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | S986 S987 I988 L993 E994 | S986-G990 PolarHBondContact O-N 2.97Å; S987-G990 PolarHBondContact O-N 3.45Å; I988-G990 VanDerWaalsContact C-N 3.31Å; G990-L993 PolarHBondContact O-N 3.38Å; G990-E994 PolarHBondContact O-N 3.33Å |
| 991 | E | 80.4 | Confident | 77.8 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.7 | -46.2 | 174.6 | -73 | 175.3 | 179.2 | 0 | 0 | 111.4 | S987 I988 L993 E994 E995 | S987-E991 WeakPolarHBondContact O-CG 3.28Å; S987-E991 PolarHBondContact O-N 2.93Å; I988-E991 PolarHBondContact O-N 2.92Å; E991-L993 VanDerWaalsContact C-N 3.34Å; E991-L993 PolarHBondContact O-N 3.46Å; E991-E994 PolarHBondContact O-N 3.3Å; E991-E995 WeakPolarHBondContact O-CG 3.44Å; E991-E995 PolarHBondContact O-N 2.99Å |
| 992 | L | 77.7 | Confident | 76 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.257 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 175.1 | -80 | 164 | 0 | 0 | 0 | 112.7 | I988 Y989 E995 I996 I1019 | I988-L992 HydrophobicContact CG2-CD1 4.08Å; I988-L992 WeakPolarHBondContact O-CB 3.45Å; I988-L992 WeakPolarHBondContact O-CG 3.41Å; I988-L992 PolarHBondContact O-N 3.49Å; Y989-L992 HydrophobicContact CD1-CD1 4.12Å; Y989-L992 HydrophobicContact CE1-CD1 4.45Å; L992-E995 PolarHBondContact O-N 3.48Å; L992-I996 WeakPolarHBondContact O-CG1 3.41Å; L992-I996 PolarHBondContact O-N 2.91Å; L992-I996 VanDerWaalsContact O-N 3.09Å; L992-I1019 HydrophobicContact CB-CD1 4.44Å |
| 993 | L | 80.3 | Confident | 73.5 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.6 | -174.5 | 68.8 | 0 | 0 | 0 | 111.1 | Y989 G990 E991 I996 L997 E1016 I1019 I1023 | Y989-L993 VanDerWaalsContact O-CB 3.32Å; Y989-L993 WeakPolarHBondContact O-CB 3.17Å; Y989-L993 PolarHBondContact O-N 3.43Å; G990-L993 PolarHBondContact O-N 3.38Å; E991-L993 VanDerWaalsContact C-N 3.34Å; E991-L993 PolarHBondContact O-N 3.46Å; L993-I996 PolarHBondContact O-N 3.24Å; L993-L997 HydrophobicContact CG-CD1 4.06Å; L993-L997 HydrophobicContact CG-CG 4.49Å; L993-L997 WeakPolarHBondContact O-CB 3.41Å; L993-L997 WeakPolarHBondContact O-CG 3.47Å; L993-L997 PolarHBondContact O-N 2.84Å; L993-E1016 HydrophobicContact CD1-CG 4.18Å; L993-I1019 HydrophobicContact CB-CG2 4.16Å; L993-I1019 HydrophobicContact CD1-CG2 4.27Å; L993-I1023 HydrophobicContact CB-CD1 4.46Å; L993-I1023 HydrophobicContact CD2-CD1 3.93Å |
| 994 | E | 79.7 | Confident | 71.1 | Confident | 113 Ų | 113 | 80 Ų | 80 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 175 | -77.1 | -169.9 | -169.5 | 0 | 0 | 112.7 | G990 E991 L997 K998 | G990-E994 PolarHBondContact O-N 3.33Å; E991-E994 PolarHBondContact O-N 3.3Å; E994-L997 PolarHBondContact O-N 3.36Å; E994-K998 WeakPolarHBondContact O-CB 3.43Å; E994-K998 VanDerWaalsContact O-CG 3.25Å; E994-K998 WeakPolarHBondContact O-CG 3.27Å; E994-K998 PolarHBondContact O-N 2.91Å; E994-K998 IonicContact OE2-NZ 3.46Å |
| 995 | E | 74.9 | Confident | 69.3 | Low | 115 Ų | 115 | 81.6 Ų | 81.6 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 174.4 | -75.7 | 179.9 | 167.2 | 0 | 0 | 110.9 | E991 L992 L997 K998 E999 | E991-E995 WeakPolarHBondContact O-CG 3.44Å; E991-E995 PolarHBondContact O-N 2.99Å; L992-E995 PolarHBondContact O-N 3.48Å; E995-L997 VanDerWaalsContact C-N 3.34Å; E995-L997 PolarHBondContact O-N 3.04Å; E995-K998 WeakPolarHBondContact O-CB 3.46Å; E995-K998 PolarHBondContact O-N 3.19Å; E995-K998 VanDerWaalsContact O-N 3.16Å; E995-E999 PolarHBondContact O-N 3.35Å |
| 996 | I | 70.6 | Confident | 67.3 | Low | 20 Ų | 20 | 86.6 Ų | 86.6 | 10% | 0.103 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.8 | -67.8 | 166.7 | 0 | 0 | 0 | 111.6 | L992 L993 E999 K1000 I1019 | L992-I996 WeakPolarHBondContact O-CG1 3.41Å; L992-I996 PolarHBondContact O-N 2.91Å; L992-I996 VanDerWaalsContact O-N 3.09Å; L993-I996 PolarHBondContact O-N 3.24Å; I996-E999 PolarHBondContact O-N 3.38Å; I996-K1000 PolarHBondContact O-N 3.36Å; I996-I1019 HydrophobicContact CD1-CD1 3.27Å |
| 997 | L | 74.1 | Confident | 64.8 | Low | 77 Ų | 77 | 89.2 Ų | 89.2 | 40% | 0.403 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 176.4 | -71.7 | 172.3 | 0 | 0 | 0 | 112.2 | L993 E994 E995 S1001 | L993-L997 HydrophobicContact CG-CD1 4.06Å; L993-L997 HydrophobicContact CG-CG 4.49Å; L993-L997 WeakPolarHBondContact O-CB 3.41Å; L993-L997 WeakPolarHBondContact O-CG 3.47Å; L993-L997 PolarHBondContact O-N 2.84Å; E994-L997 PolarHBondContact O-N 3.36Å; E995-L997 VanDerWaalsContact C-N 3.34Å; E995-L997 PolarHBondContact O-N 3.04Å; L997-S1001 PolarHBondContact O-N 3.17Å |
| 998 | K | 70.3 | Confident | 62.4 | Low | 120 Ų | 120 | 92.4 Ų | 92.4 | 52% | 0.522 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 174 | -78 | 167.9 | -175.3 | 157.6 | 0 | 111.2 | E994 E995 S1001 L1002 | E994-K998 WeakPolarHBondContact O-CB 3.43Å; E994-K998 VanDerWaalsContact O-CG 3.25Å; E994-K998 WeakPolarHBondContact O-CG 3.27Å; E994-K998 PolarHBondContact O-N 2.91Å; E994-K998 IonicContact OE2-NZ 3.46Å; E995-K998 WeakPolarHBondContact O-CB 3.46Å; E995-K998 PolarHBondContact O-N 3.19Å; E995-K998 VanDerWaalsContact O-N 3.16Å; K998-S1001 PolarHBondContact O-N 3.4Å; K998-S1001 VanDerWaalsContact O-N 3.15Å; K998-S1001 PolarHBondContact O-OG 2.91Å; K998-L1002 PolarHBondContact O-N 3.04Å |
| 999 | E | 60.3 | Low | 60 | Low | 115 Ų | 115 | 95.3 Ų | 95.3 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.6 | -74.9 | -178.9 | 162.5 | 0 | 0 | 111.8 | E995 I996 S1001 L1002 | E995-E999 PolarHBondContact O-N 3.35Å; I996-E999 PolarHBondContact O-N 3.38Å; E999-S1001 VanDerWaalsContact C-N 3.25Å; E999-S1001 PolarHBondContact O-N 3.01Å; E999-L1002 PolarHBondContact O-N 3.03Å |
| 1000 | K | 59.1 | Low | 57.7 | Low | 100 Ų | 100 | 100.2 Ų | 100.2 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -26.7 | 174.8 | -75.4 | -172.8 | -177.9 | -178.1 | 0 | 114 | I996 L1002 E1016 | I996-K1000 PolarHBondContact O-N 3.36Å; K1000-L1002 VanDerWaalsContact C-N 3.35Å; K1000-E1016 IonicContact NZ-OE2 3.89Å; K1000-E1016 PolarHBondContact NZ-OE2 3.26Å |
| 1001 | S | 56.3 | Low | 55.4 | Low | 95 Ų | 95 | 106.8 Ų | 106.8 | 66% | 0.664 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.8 | -20.5 | 179.3 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | L997 K998 E999 | L997-S1001 PolarHBondContact O-N 3.17Å; K998-S1001 PolarHBondContact O-N 3.4Å; K998-S1001 VanDerWaalsContact O-N 3.15Å; K998-S1001 PolarHBondContact O-OG 2.91Å; E999-S1001 VanDerWaalsContact C-N 3.25Å; E999-S1001 PolarHBondContact O-N 3.01Å |
| 1002 | L | 50 | Low | 53.6 | Low | 142 Ų | 142 | 109 Ų | 109 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -93.8 | -13.2 | -176.7 | -79.7 | 161.4 | 0 | 0 | 0 | 114 | K998 E999 K1000 | K998-L1002 PolarHBondContact O-N 3.04Å; E999-L1002 PolarHBondContact O-N 3.03Å; K1000-L1002 VanDerWaalsContact C-N 3.35Å |
| 1003 | H | 36.8 | Very low | 51.9 | Low | 129 Ų | 129 | 111.2 Ų | 111.2 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -107 | 116.8 | -177.1 | -79.6 | -68.4 | 0 | 0 | 0 | 112.8 | ||
| 1004 | E | 36.2 | Very low | 50.4 | Low | 169 Ų | 169 | 113.2 Ų | 113.2 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | trans | -56.2 | 138.9 | 163.2 | -74 | -176 | 159.1 | 0 | 0 | 109.8 | S1006 | E1004-S1006 VanDerWaalsContact C-N 3.25Å; E1004-S1006 PolarHBondContact O-N 3.39Å | ||
| 1005 | P | 47.2 | Very low | 49.7 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 85% | 0.851 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 40.4 | -156.4 | 33 | -37.8 | 0 | 0 | 0 | 115.4 | ||
| 1006 | S | 43.9 | Very low | 49.5 | Very low | 107 Ų | 107 | 109.7 Ų | 109.7 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -2.3 | 179.2 | 56.6 | 0 | 0 | 0 | 0 | 116.3 | E1004 | E1004-S1006 VanDerWaalsContact C-N 3.25Å; E1004-S1006 PolarHBondContact O-N 3.39Å |
| 1007 | T | 33.3 | Very low | 49.6 | Very low | 99 Ų | 99 | 113.7 Ų | 113.7 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | trans | -146.4 | 90.7 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1008 | I | 32.1 | Very low | 49.6 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | trans | -118.8 | 94.9 | 163.5 | -57.7 | 175.2 | 0 | 0 | 0 | 106.7 | ||||
| 1009 | T | 32.4 | Very low | 50 | Low | 120 Ų | 120 | 108 Ų | 108 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | trans | -137.2 | 90.4 | 174.2 | 48.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1010 | T | 33.9 | Very low | 51 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 64% | 0.638 | 58% | 0.577 | S | S | * | * | trans | -162.2 | 117.1 | 161.6 | 33.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1011 | D | 34.4 | Very low | 52 | Low | 163 Ų | 163 | 106.6 Ų | 106.6 | 87% | 0.872 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 148.9 | 166.8 | -67.8 | -54.9 | 0 | 0 | 0 | 111.5 | ||
| 1012 | D | 41.7 | Very low | 53.2 | Low | 169 Ų | 169 | 105.2 Ų | 105.2 | 90% | 0.904 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.4 | 10.9 | -176.2 | -66.7 | -17.8 | 0 | 0 | 0 | 118.2 | I1014 | D1012-I1014 PolarHBondContact O-N 3.43Š|
| 1013 | E | 41.9 | Very low | 54.9 | Low | 94 Ų | 94 | 99.9 Ų | 99.9 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | trans | -73.8 | 116 | 162 | -75.1 | -175.9 | -161.9 | 0 | 0 | 110.1 | D1015 | E1013-D1015 PolarHBondContact O-N 3.31Š| ||
| 1014 | I | 50.2 | Low | 57.2 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | trans | -57 | 114.5 | 167.7 | -56.1 | 172.2 | 0 | 0 | 0 | 106.9 | D1012 E1016 D1018 I1019 | D1012-I1014 PolarHBondContact O-N 3.43Å; I1014-E1016 PolarHBondContact O-N 3.23Å; I1014-D1018 HydrophobicContact CG2-CB 4.35Å; I1014-I1019 HydrophobicContact CB-CD1 4.11Å; I1014-I1019 HydrophobicContact CB-CG1 4.18Å; I1014-I1019 HydrophobicContact CG2-CD1 3.89Å; I1014-I1019 HydrophobicContact CG2-CG1 3.41Å; I1014-I1019 VanDerWaalsContact CG2-CG1 3.41Å | ||
| 1015 | D | 63.8 | Low | 59.7 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | trans | -46.7 | 130.3 | -179.5 | -90.1 | -32.1 | 0 | 0 | 0 | 110.8 | E1013 Q1017 D1018 I1019 | E1013-D1015 PolarHBondContact O-N 3.31Å; D1015-Q1017 PolarHBondContact O-N 2.95Å; D1015-D1018 HydrophobicContact CB-CB 4.01Å; D1015-D1018 WeakPolarHBondContact O-CA 3.36Å; D1015-D1018 WeakPolarHBondContact O-CB 3.35Å; D1015-D1018 PolarHBondContact O-N 3Å; D1015-I1019 PolarHBondContact O-N 3.39Å | ||
| 1016 | E | 72 | Confident | 61.6 | Low | 43 Ų | 43 | 87.1 Ų | 87.1 | 20% | 0.201 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -50.6 | -37 | 175.4 | 179.1 | -174.1 | 157.2 | 0 | 0 | 110.9 | L993 K1000 I1014 R1020 | L993-E1016 HydrophobicContact CD1-CG 4.18Å; K1000-E1016 IonicContact NZ-OE2 3.89Å; K1000-E1016 PolarHBondContact NZ-OE2 3.26Å; I1014-E1016 PolarHBondContact O-N 3.23Å; E1016-R1020 WeakPolarHBondContact O-CB 3.5Å; E1016-R1020 VanDerWaalsContact O-CG 3.26Å; E1016-R1020 WeakPolarHBondContact O-CG 3.36Å; E1016-R1020 PolarHBondContact O-N 3.44Å; E1016-R1020 IonicContact OE1-CZ 2.82Å; E1016-R1020 IonicContact OE1-NE 2.78Å; E1016-R1020 PolarHBondContact OE1-NE 3.1Å; E1016-R1020 IonicContact OE1-NH1 2.73Å; E1016-R1020 PolarHBondContact OE1-NH1 3.34Å; E1016-R1020 IonicContact OE1-NH2 3.22Å; E1016-R1020 PolarHBondContact OE1-NH2 3.26Å |
| 1017 | Q | 72.7 | Confident | 63.8 | Low | 105 Ų | 105 | 86.3 Ų | 86.3 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176.8 | -169.7 | 59 | 33.4 | 0 | 0 | 112.4 | D1015 R1020 D1021 | D1015-Q1017 PolarHBondContact O-N 2.95Å; Q1017-R1020 PolarHBondContact O-N 3.16Å; Q1017-D1021 PolarHBondContact NE2-OD1 3.24Å; Q1017-D1021 WeakPolarHBondContact O-CB 3.46Å; Q1017-D1021 PolarHBondContact O-N 3.14Å |
| 1018 | D | 73.7 | Confident | 66.5 | Low | 77 Ų | 77 | 87.3 Ų | 87.3 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.4 | -91.4 | 12 | 0 | 0 | 0 | 111.7 | I1014 D1015 D1021 R1022 | I1014-D1018 HydrophobicContact CG2-CB 4.35Å; D1015-D1018 HydrophobicContact CB-CB 4.01Å; D1015-D1018 WeakPolarHBondContact O-CA 3.36Å; D1015-D1018 WeakPolarHBondContact O-CB 3.35Å; D1015-D1018 PolarHBondContact O-N 3Å; D1018-D1021 PolarHBondContact O-N 3.34Å; D1018-R1022 VanDerWaalsContact O-CG 3.28Å; D1018-R1022 WeakPolarHBondContact O-CG 3.35Å; D1018-R1022 PolarHBondContact O-N 3.42Å |
| 1019 | I | 77.2 | Confident | 69.2 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.2 | -60.5 | -175.6 | 0 | 0 | 0 | 110.2 | Y989 L992 L993 I996 I1014 D1015 D1021 R1022 I1023 | Y989-I1019 HydrophobicContact CD1-CG2 4.24Å; L992-I1019 HydrophobicContact CB-CD1 4.44Å; L993-I1019 HydrophobicContact CB-CG2 4.16Å; L993-I1019 HydrophobicContact CD1-CG2 4.27Å; I996-I1019 HydrophobicContact CD1-CD1 3.27Å; I1014-I1019 HydrophobicContact CB-CD1 4.11Å; I1014-I1019 HydrophobicContact CB-CG1 4.18Å; I1014-I1019 HydrophobicContact CG2-CD1 3.89Å; I1014-I1019 HydrophobicContact CG2-CG1 3.41Å; I1014-I1019 VanDerWaalsContact CG2-CG1 3.41Å; D1015-I1019 PolarHBondContact O-N 3.39Å; I1019-D1021 VanDerWaalsContact C-N 3.31Å; I1019-D1021 PolarHBondContact O-N 3.17Å; I1019-R1022 PolarHBondContact O-N 3.02Å; I1019-I1023 HydrophobicContact CG2-CD1 3.87Å; I1019-I1023 HydrophobicContact CG2-CG1 4.35Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.47Å; I1019-I1023 PolarHBondContact O-N 3.41Å |
| 1020 | R | 81.3 | Confident | 72.1 | Confident | 105 Ų | 105 | 77 Ų | 77 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 175.2 | -77.2 | 176.9 | 175 | -178.8 | 3.7 | 112 | E1016 Q1017 R1022 I1023 N1024 | E1016-R1020 WeakPolarHBondContact O-CB 3.5Å; E1016-R1020 VanDerWaalsContact O-CG 3.26Å; E1016-R1020 WeakPolarHBondContact O-CG 3.36Å; E1016-R1020 PolarHBondContact O-N 3.44Å; E1016-R1020 IonicContact OE1-CZ 2.82Å; E1016-R1020 IonicContact OE1-NE 2.78Å; E1016-R1020 PolarHBondContact OE1-NE 3.1Å; E1016-R1020 IonicContact OE1-NH1 2.73Å; E1016-R1020 PolarHBondContact OE1-NH1 3.34Å; E1016-R1020 IonicContact OE1-NH2 3.22Å; E1016-R1020 PolarHBondContact OE1-NH2 3.26Å; Q1017-R1020 PolarHBondContact O-N 3.16Å; R1020-R1022 VanDerWaalsContact C-N 3.35Å; R1020-I1023 PolarHBondContact O-N 3.1Å; R1020-N1024 WeakPolarHBondContact O-CB 3.4Å; R1020-N1024 PolarHBondContact O-N 2.98Å; R1020-N1024 PolarHBondContact O-ND2 3.35Å |
| 1021 | D | 80.6 | Confident | 74.9 | Confident | 80 Ų | 80 | 72 Ų | 72 | 43% | 0.428 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 177.9 | -74.1 | -8.4 | 0 | 0 | 0 | 111.5 | Q1017 D1018 I1019 N1024 L1025 | Q1017-D1021 PolarHBondContact NE2-OD1 3.24Å; Q1017-D1021 WeakPolarHBondContact O-CB 3.46Å; Q1017-D1021 PolarHBondContact O-N 3.14Å; D1018-D1021 PolarHBondContact O-N 3.34Å; I1019-D1021 VanDerWaalsContact C-N 3.31Å; I1019-D1021 PolarHBondContact O-N 3.17Å; D1021-N1024 PolarHBondContact O-N 3.09Å; D1021-L1025 WeakPolarHBondContact O-CB 3.11Å; D1021-L1025 PolarHBondContact O-N 3.02Å |
| 1022 | R | 82.3 | Confident | 77.5 | Confident | 67 Ų | 67 | 70.1 Ų | 70.1 | 25% | 0.253 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 173 | -71.7 | 175.2 | -170 | -165.3 | 7.9 | 112.5 | Y989 D1018 I1019 R1020 N1024 L1025 I1026 | Y989-R1022 PolarHBondContact OH-NH1 3.14Å; D1018-R1022 VanDerWaalsContact O-CG 3.28Å; D1018-R1022 WeakPolarHBondContact O-CG 3.35Å; D1018-R1022 PolarHBondContact O-N 3.42Å; I1019-R1022 PolarHBondContact O-N 3.02Å; R1020-R1022 VanDerWaalsContact C-N 3.35Å; R1022-N1024 VanDerWaalsContact C-N 3.3Å; R1022-N1024 PolarHBondContact O-N 3.19Å; R1022-L1025 WeakPolarHBondContact O-CB 3.47Å; R1022-L1025 PolarHBondContact O-N 3.48Å; R1022-I1026 VanDerWaalsContact O-CG1 3.31Å; R1022-I1026 WeakPolarHBondContact O-CG1 3.34Å; R1022-I1026 PolarHBondContact O-N 3.38Å |
| 1023 | I | 84.7 | Confident | 79.9 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 173.4 | -70 | 168.7 | 0 | 0 | 0 | 110 | L993 I1019 R1020 L1025 I1026 K1027 | L993-I1023 HydrophobicContact CB-CD1 4.46Å; L993-I1023 HydrophobicContact CD2-CD1 3.93Å; I1019-I1023 HydrophobicContact CG2-CD1 3.87Å; I1019-I1023 HydrophobicContact CG2-CG1 4.35Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.47Å; I1019-I1023 PolarHBondContact O-N 3.41Å; R1020-I1023 PolarHBondContact O-N 3.1Å; I1023-L1025 VanDerWaalsContact C-N 3.33Å; I1023-L1025 PolarHBondContact O-N 3.22Å; I1023-I1026 PolarHBondContact O-N 3.34Å; I1023-K1027 HydrophobicContact CG2-CD 4.3Å; I1023-K1027 WeakPolarHBondContact O-CB 3.13Å; I1023-K1027 WeakPolarHBondContact O-CG 2.99Å; I1023-K1027 PolarHBondContact O-N 3.12Å |
| 1024 | N | 86.3 | Confident | 82.3 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.2 | -72.4 | -24.2 | 0 | 0 | 0 | 112.2 | R1020 D1021 R1022 K1027 K1028 | R1020-N1024 WeakPolarHBondContact O-CB 3.4Å; R1020-N1024 PolarHBondContact O-N 2.98Å; R1020-N1024 PolarHBondContact O-ND2 3.35Å; D1021-N1024 PolarHBondContact O-N 3.09Å; R1022-N1024 VanDerWaalsContact C-N 3.3Å; R1022-N1024 PolarHBondContact O-N 3.19Å; N1024-K1027 PolarHBondContact O-N 3.25Å; N1024-K1028 WeakPolarHBondContact O-CG 3.44Å; N1024-K1028 PolarHBondContact O-N 3.3Å |
| 1025 | L | 87.1 | Confident | 84.2 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 44% | 0.44 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 174.1 | -178.9 | 62.1 | 0 | 0 | 0 | 111.9 | L915 D1021 R1022 I1023 K1027 K1028 L1029 | L915-L1025 HydrophobicContact CD2-CD2 4.03Å; D1021-L1025 WeakPolarHBondContact O-CB 3.11Å; D1021-L1025 PolarHBondContact O-N 3.02Å; R1022-L1025 WeakPolarHBondContact O-CB 3.47Å; R1022-L1025 PolarHBondContact O-N 3.48Å; I1023-L1025 VanDerWaalsContact C-N 3.33Å; I1023-L1025 PolarHBondContact O-N 3.22Å; L1025-K1027 VanDerWaalsContact C-N 3.35Å; L1025-K1028 PolarHBondContact O-N 3.19Å; L1025-L1029 HydrophobicContact CG-CD1 4.44Å; L1025-L1029 WeakPolarHBondContact O-CG 3.32Å; L1025-L1029 PolarHBondContact O-N 3.29Å |
| 1026 | I | 88.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 175.2 | -72 | 163.3 | 0 | 0 | 0 | 110.2 | L915 L982 L985 Y989 R1022 I1023 K1028 L1029 Q1030 | L915-I1026 HydrophobicContact CD1-CD1 4.36Å; L915-I1026 HydrophobicContact CD1-CG1 3.53Å; L982-I1026 HydrophobicContact CB-CG2 4.35Å; L982-I1026 HydrophobicContact CD2-CG1 4.35Å; L982-I1026 HydrophobicContact CD2-CG2 4.09Å; L985-I1026 HydrophobicContact CB-CD1 4.08Å; Y989-I1026 HydrophobicContact CD2-CD1 3.43Å; Y989-I1026 VanDerWaalsContact CD2-CD1 3.43Å; Y989-I1026 HydrophobicContact CE2-CD1 3.88Å; Y989-I1026 HydrophobicContact CG-CD1 4.45Å; R1022-I1026 VanDerWaalsContact O-CG1 3.31Å; R1022-I1026 WeakPolarHBondContact O-CG1 3.34Å; R1022-I1026 PolarHBondContact O-N 3.38Å; I1023-I1026 PolarHBondContact O-N 3.34Å; I1026-K1028 VanDerWaalsContact C-N 3.34Å; I1026-K1028 PolarHBondContact O-N 3.38Å; I1026-L1029 CarbonylContact O-C 3.58Å; I1026-L1029 WeakPolarHBondContact O-CB 3.42Å; I1026-L1029 PolarHBondContact O-N 3.03Å; I1026-L1029 VanDerWaalsContact O-N 3.09Å; I1026-Q1030 HydrophobicContact CG2-CG 4.38Å; I1026-Q1030 WeakPolarHBondContact O-CG 3.48Å; I1026-Q1030 PolarHBondContact O-N 3.46Å |
| 1027 | K | 89.7 | Confident | 86.1 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 39% | 0.391 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 175.5 | -76.9 | 180 | -179.9 | -178.6 | 0 | 112.7 | I1023 N1024 L1025 L1029 Q1030 S1031 Y1062 | I1023-K1027 HydrophobicContact CG2-CD 4.3Å; I1023-K1027 WeakPolarHBondContact O-CB 3.13Å; I1023-K1027 WeakPolarHBondContact O-CG 2.99Å; I1023-K1027 PolarHBondContact O-N 3.12Å; N1024-K1027 PolarHBondContact O-N 3.25Å; L1025-K1027 VanDerWaalsContact C-N 3.35Å; K1027-L1029 PolarHBondContact O-N 3.3Å; K1027-Q1030 PolarHBondContact O-N 2.78Å; K1027-S1031 WeakPolarHBondContact O-CB 3.18Å; K1027-S1031 PolarHBondContact O-N 2.94Å; K1027-Y1062 WeakPolarHBondContact CB-O 3.44Å; K1027-Y1062 HydrophobicContact CG-CD1 4.41Å; K1027-Y1062 WeakPolarHBondContact O-CB 3.42Å |
| 1028 | K | 89.2 | Confident | 86.8 | Confident | 120 Ų | 120 | 46 Ų | 46 | 52% | 0.522 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -39.2 | 174.7 | -74.7 | 177.2 | -179.3 | -179.5 | 0 | 112.3 | N1024 L1025 I1026 R1032 | N1024-K1028 WeakPolarHBondContact O-CG 3.44Å; N1024-K1028 PolarHBondContact O-N 3.3Å; L1025-K1028 PolarHBondContact O-N 3.19Å; I1026-K1028 VanDerWaalsContact C-N 3.34Å; I1026-K1028 PolarHBondContact O-N 3.38Å; K1028-R1032 WeakPolarHBondContact O-CB 3.24Å; K1028-R1032 PolarHBondContact O-N 3.32Å |
| 1029 | L | 90 | Very high | 87.3 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 12% | 0.12 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69 | -42.9 | 176.1 | -70.3 | 174.6 | 0 | 0 | 0 | 112 | L915 I922 L982 L1025 I1026 K1027 R1032 A1033 | L915-L1029 HydrophobicContact CD1-CD1 3.87Å; I922-L1029 HydrophobicContact CD1-CB 3.85Å; I922-L1029 HydrophobicContact CD1-CD2 4.21Å; I922-L1029 WeakPolarHBondContact CD1-O 3.27Å; L982-L1029 HydrophobicContact CD1-CB 3.85Å; L982-L1029 HydrophobicContact CD2-CB 4.24Å; L982-L1029 HydrophobicContact CD2-CD1 4.23Å; L1025-L1029 HydrophobicContact CG-CD1 4.44Å; L1025-L1029 WeakPolarHBondContact O-CG 3.32Å; L1025-L1029 PolarHBondContact O-N 3.29Å; I1026-L1029 CarbonylContact O-C 3.58Å; I1026-L1029 WeakPolarHBondContact O-CB 3.42Å; I1026-L1029 PolarHBondContact O-N 3.03Å; I1026-L1029 VanDerWaalsContact O-N 3.09Å; K1027-L1029 PolarHBondContact O-N 3.3Å; L1029-R1032 PolarHBondContact O-N 3.2Å; L1029-A1033 WeakPolarHBondContact O-CB 3.33Å; L1029-A1033 PolarHBondContact O-N 2.95Å |
| 1030 | Q | 92.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 173.6 | -75.4 | 168.2 | -44 | 0 | 0 | 110.8 | L979 L982 D983 I1026 K1027 R1032 A1033 W1034 Y1062 | L979-Q1030 HydrophobicContact CD2-CB 4.36Å; L979-Q1030 HydrophobicContact CD2-CG 4.32Å; L982-Q1030 HydrophobicContact CB-CG 3.74Å; L982-Q1030 HydrophobicContact CD1-CG 3.95Å; L982-Q1030 HydrophobicContact CG-CG 4.41Å; D983-Q1030 PolarHBondContact OD1-NE2 2.91Å; I1026-Q1030 HydrophobicContact CG2-CG 4.38Å; I1026-Q1030 WeakPolarHBondContact O-CG 3.48Å; I1026-Q1030 PolarHBondContact O-N 3.46Å; K1027-Q1030 PolarHBondContact O-N 2.78Å; Q1030-R1032 VanDerWaalsContact C-N 3.31Å; Q1030-R1032 PolarHBondContact O-N 3.19Å; Q1030-A1033 PolarHBondContact O-N 2.89Å; Q1030-W1034 VanDerWaalsContact O-CD1 3.22Å; Q1030-W1034 PolarHBondContact O-N 3.12Å; Q1030-Y1062 HydrophobicContact CB-CD1 4.08Å; Q1030-Y1062 HydrophobicContact CB-CD2 4.05Å; Q1030-Y1062 HydrophobicContact CB-CE1 4.47Å; Q1030-Y1062 HydrophobicContact CB-CE2 4.49Å; Q1030-Y1062 HydrophobicContact CB-CG 3.85Å; Q1030-Y1062 VanDerWaalsContact OE1-CE1 3.3Å |
| 1031 | S | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 175.1 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | K1027 A1035 A1059 N1063 N1066 | K1027-S1031 WeakPolarHBondContact O-CB 3.18Å; K1027-S1031 PolarHBondContact O-N 2.94Å; S1031-A1035 VanDerWaalsContact O-CB 3.29Å; S1031-A1035 WeakPolarHBondContact O-CB 3.28Å; S1031-A1035 PolarHBondContact O-N 3.45Å; S1031-A1059 WeakPolarHBondContact CB-O 3.47Å; S1031-A1059 WeakPolarHBondContact O-CB 3.04Å; S1031-A1059 PolarHBondContact OG-O 3.46Å; S1031-N1063 VanDerWaalsContact CB-CB 3.43Å; S1031-N1063 WeakPolarHBondContact OG-CB 3.49Å; S1031-N1066 PolarHBondContact OG-ND2 3.39Å; S1031-N1066 VanDerWaalsContact OG-ND2 3.07Å |
| 1032 | R | 90.9 | Very high | 88.1 | Confident | 123 Ų | 123 | 40.6 Ų | 40.6 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.6 | -43 | 177.3 | -175.7 | 175.1 | 176.8 | 179.8 | -4.5 | 112 | I922 I926 K1028 L1029 Q1030 A1035 S1036 | I922-R1032 HydrophobicContact CG2-CG 4.06Å; I926-R1032 HydrophobicContact CD1-CG 4.01Å; K1028-R1032 WeakPolarHBondContact O-CB 3.24Å; K1028-R1032 PolarHBondContact O-N 3.32Å; L1029-R1032 PolarHBondContact O-N 3.2Å; Q1030-R1032 VanDerWaalsContact C-N 3.31Å; Q1030-R1032 PolarHBondContact O-N 3.19Å; R1032-A1035 PolarHBondContact O-N 2.97Å; R1032-S1036 PolarHBondContact O-N 3.37Å; R1032-S1036 PolarHBondContact O-OG 2.7Å; R1032-S1036 VanDerWaalsContact O-OG 3.06Å |
| 1033 | A | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I922 L975 L979 L1029 Q1030 A1035 S1036 L1037 | I922-A1033 HydrophobicContact CD1-CB 3.97Å; I922-A1033 HydrophobicContact CG1-CB 3.97Å; L975-A1033 HydrophobicContact CD2-CB 4.48Å; L979-A1033 HydrophobicContact CD1-CB 4.45Å; L979-A1033 HydrophobicContact CD2-CB 3.69Å; L979-A1033 HydrophobicContact CG-CB 3.88Å; L1029-A1033 WeakPolarHBondContact O-CB 3.33Å; L1029-A1033 PolarHBondContact O-N 2.95Å; Q1030-A1033 PolarHBondContact O-N 2.89Å; A1033-A1035 PolarHBondContact O-N 3.37Å; A1033-S1036 WeakPolarHBondContact CA-OG 3.33Å; A1033-S1036 PolarHBondContact O-N 3.11Å; A1033-S1036 PolarHBondContact O-OG 2.98Å; A1033-L1037 WeakPolarHBondContact O-CB 3.47Å; A1033-L1037 PolarHBondContact O-N 2.66Å |
| 1034 | W | 94 | Very high | 87.4 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 175.3 | -80.9 | 115.1 | 0 | 0 | 0 | 112.5 | L979 Q1030 S1036 L1037 A1038 Y1054 C1055 Q1058 A1059 Y1062 | L979-W1034 HydrophobicContact CD1-CD2 3.9Å; L979-W1034 HydrophobicContact CD1-CE3 4.3Å; L979-W1034 HydrophobicContact CD1-CG 4.31Å; L979-W1034 HydrophobicContact CD1-CH2 4.42Å; L979-W1034 HydrophobicContact CD1-CZ2 4.02Å; L979-W1034 HydrophobicContact CD2-CD2 4.5Å; L979-W1034 HydrophobicContact CD2-CG 4.25Å; Q1030-W1034 VanDerWaalsContact O-CD1 3.22Å; Q1030-W1034 PolarHBondContact O-N 3.12Å; W1034-S1036 PolarHBondContact O-N 2.88Å; W1034-L1037 WeakPolarHBondContact O-CB 3.18Å; W1034-L1037 PolarHBondContact O-N 2.87Å; W1034-A1038 PolarHBondContact O-N 3.42Å; W1034-Y1054 HydrophobicContact CH2-CE1 4.19Å; W1034-Y1054 HydrophobicContact CZ3-CE1 4.18Å; W1034-C1055 HydrophobicContact CE3-CB 4.18Å; W1034-Q1058 HydrophobicContact CB-CB 4.46Å; W1034-Q1058 HydrophobicContact CD2-CB 3.74Å; W1034-Q1058 HydrophobicContact CD2-CG 4.4Å; W1034-Q1058 HydrophobicContact CE3-CB 4.12Å; W1034-Q1058 HydrophobicContact CE3-CG 4.5Å; W1034-Q1058 HydrophobicContact CG-CB 3.89Å; W1034-Q1058 HydrophobicContact CZ2-CG 4.43Å; W1034-A1059 HydrophobicContact CB-CB 3.75Å; W1034-Y1062 AromaticContact CD1-CD2 3.76Å; W1034-Y1062 AromaticContact CD1-CE2 3.75Å; W1034-Y1062 AromaticContact NE1-CD2 3.97Å; W1034-Y1062 AromaticContact NE1-CE2 3.44Å |
| 1035 | A | 88.7 | Confident | 86.3 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1031 R1032 A1033 A1038 G1039 A1059 V1069 | S1031-A1035 VanDerWaalsContact O-CB 3.29Å; S1031-A1035 WeakPolarHBondContact O-CB 3.28Å; S1031-A1035 PolarHBondContact O-N 3.45Å; R1032-A1035 PolarHBondContact O-N 2.97Å; A1033-A1035 PolarHBondContact O-N 3.37Å; A1035-A1038 WeakPolarHBondContact O-CB 3.43Å; A1035-G1039 PolarHBondContact O-N 3.44Å; A1035-A1059 HydrophobicContact CB-CB 4.22Å; A1035-V1069 HydrophobicContact CB-CG2 3.55Å |
| 1036 | S | 87 | Confident | 85.7 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -34.6 | 174 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | L929 L975 R1032 A1033 W1034 G1039 V1040 | L929-S1036 WeakPolarHBondContact CD1-O 3.08Å; L975-S1036 WeakPolarHBondContact CD1-OG 3.48Å; L975-S1036 VanDerWaalsContact CD2-OG 3.26Å; L975-S1036 WeakPolarHBondContact CD2-OG 3.42Å; R1032-S1036 PolarHBondContact O-N 3.37Å; R1032-S1036 PolarHBondContact O-OG 2.7Å; R1032-S1036 VanDerWaalsContact O-OG 3.06Å; A1033-S1036 WeakPolarHBondContact CA-OG 3.33Å; A1033-S1036 PolarHBondContact O-N 3.11Å; A1033-S1036 PolarHBondContact O-OG 2.98Å; W1034-S1036 PolarHBondContact O-N 2.88Å; S1036-G1039 CarbonylContact O-C 3.36Å; S1036-G1039 VanDerWaalsContact O-CA 3.31Å; S1036-G1039 WeakPolarHBondContact O-CA 3.36Å; S1036-G1039 PolarHBondContact O-N 2.73Å; S1036-V1040 PolarHBondContact O-N 2.95Å |
| 1037 | L | 90.1 | Very high | 84.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.3 | -132.4 | 160.5 | 0 | 0 | 0 | 111.3 | E972 L975 K976 L979 A1033 W1034 G1039 V1040 Y1041 | E972-L1037 HydrophobicContact CG-CD2 4.41Å; L975-L1037 HydrophobicContact CB-CD1 4.27Å; L975-L1037 HydrophobicContact CB-CG 4.4Å; K976-L1037 HydrophobicContact CG-CD1 4.05Å; L979-L1037 HydrophobicContact CD1-CD1 3.77Å; A1033-L1037 WeakPolarHBondContact O-CB 3.47Å; A1033-L1037 PolarHBondContact O-N 2.66Å; W1034-L1037 WeakPolarHBondContact O-CB 3.18Å; W1034-L1037 PolarHBondContact O-N 2.87Å; L1037-G1039 PolarHBondContact O-N 2.82Å; L1037-V1040 WeakPolarHBondContact O-CB 3.44Å; L1037-V1040 PolarHBondContact O-N 3.25Å; L1037-V1040 VanDerWaalsContact O-N 3.1Å; L1037-Y1041 HydrophobicContact CD2-CD2 4.01Å; L1037-Y1041 HydrophobicContact CD2-CE1 4.04Å; L1037-Y1041 HydrophobicContact CD2-CE2 3.29Å; L1037-Y1041 WeakPolarHBondContact CD2-OH 3.39Å; L1037-Y1041 PolarHBondContact O-N 3.42Å; L1037-Y1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | A | 87 | Confident | 84.6 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | W1034 A1035 Y1041 S1042 I1052 C1055 L1056 | W1034-A1038 PolarHBondContact O-N 3.42Å; A1035-A1038 WeakPolarHBondContact O-CB 3.43Å; A1038-Y1041 PolarHBondContact O-N 3.01Å; A1038-S1042 PolarHBondContact O-N 3.34Å; A1038-I1052 HydrophobicContact CB-CG2 4.36Å; A1038-C1055 HydrophobicContact CB-CB 3.66Å; A1038-L1056 HydrophobicContact CB-CD2 3.79Å; A1038-L1056 HydrophobicContact CB-CG 3.92Å |
| 1039 | G | 84.5 | Confident | 84.1 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1035 S1036 L1037 S1042 | A1035-G1039 PolarHBondContact O-N 3.44Å; S1036-G1039 CarbonylContact O-C 3.36Å; S1036-G1039 VanDerWaalsContact O-CA 3.31Å; S1036-G1039 WeakPolarHBondContact O-CA 3.36Å; S1036-G1039 PolarHBondContact O-N 2.73Å; L1037-G1039 PolarHBondContact O-N 2.82Å; G1039-S1042 PolarHBondContact O-N 3.06Å; G1039-S1042 PolarHBondContact O-OG 2.92Å |
| 1040 | V | 86.2 | Confident | 83.7 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -50.5 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | L929 F968 S971 E972 L975 S1036 L1037 S1042 T1043 | L929-V1040 HydrophobicContact CD1-CB 4.19Å; L929-V1040 HydrophobicContact CD1-CG2 3.46Å; L929-V1040 VanDerWaalsContact CD1-CG2 3.46Å; L929-V1040 VanDerWaalsContact CD1-N 3.29Å; F968-V1040 HydrophobicContact CB-CG1 4.36Å; S971-V1040 VanDerWaalsContact OG-CG2 3.26Å; S971-V1040 WeakPolarHBondContact OG-CG2 3.39Å; E972-V1040 HydrophobicContact CB-CG1 4.21Å; L975-V1040 HydrophobicContact CD1-CG2 4.19Å; S1036-V1040 PolarHBondContact O-N 2.95Å; L1037-V1040 WeakPolarHBondContact O-CB 3.44Å; L1037-V1040 PolarHBondContact O-N 3.25Å; L1037-V1040 VanDerWaalsContact O-N 3.1Å; V1040-S1042 VanDerWaalsContact C-N 3.25Å; V1040-S1042 PolarHBondContact O-N 3.28Å; V1040-T1043 PolarHBondContact O-N 3.05Å; V1040-T1043 PolarHBondContact O-OG1 3.05Å |
| 1041 | Y | 86.4 | Confident | 83.4 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -24.6 | -179.9 | -62.1 | -36 | 0 | 0 | 0 | 113.6 | E972 K976 L1037 A1038 T1043 S1044 L1048 E1051 | E972-Y1041 HydrophobicContact CG-CE1 4.42Å; K976-Y1041 PolarHBondContact NZ-OH 2.92Å; L1037-Y1041 HydrophobicContact CD2-CD2 4.01Å; L1037-Y1041 HydrophobicContact CD2-CE1 4.04Å; L1037-Y1041 HydrophobicContact CD2-CE2 3.29Å; L1037-Y1041 WeakPolarHBondContact CD2-OH 3.39Å; L1037-Y1041 PolarHBondContact O-N 3.42Å; L1037-Y1041 VanDerWaalsContact O-N 3.08Å; A1038-Y1041 PolarHBondContact O-N 3.01Å; Y1041-T1043 PolarHBondContact O-N 3.28Å; Y1041-S1044 PolarHBondContact O-N 2.97Å; Y1041-S1044 PolarHBondContact O-OG 3.31Å; Y1041-L1048 HydrophobicContact CD1-CD1 4.26Å; Y1041-L1048 HydrophobicContact CG-CD1 4.44Å; Y1041-E1051 HydrophobicContact CD2-CB 4.29Å |
| 1042 | S | 81.7 | Confident | 83.1 | Confident | 76 Ų | 76 | 56 Ų | 56 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12.3 | 173.1 | 75.5 | 0 | 0 | 0 | 0 | 114.4 | A1038 G1039 V1040 | A1038-S1042 PolarHBondContact O-N 3.34Å; G1039-S1042 PolarHBondContact O-N 3.06Å; G1039-S1042 PolarHBondContact O-OG 2.92Å; V1040-S1042 VanDerWaalsContact C-N 3.25Å; V1040-S1042 PolarHBondContact O-N 3.28Å |
| 1043 | T | 77.3 | Confident | 82.9 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -12.2 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | F968 V1040 Y1041 | F968-T1043 HydrophobicContact CE1-CG2 4.03Å; F968-T1043 HydrophobicContact CZ-CG2 4.04Å; V1040-T1043 PolarHBondContact O-N 3.05Å; V1040-T1043 PolarHBondContact O-OG1 3.05Å; Y1041-T1043 PolarHBondContact O-N 3.28Å |
| 1044 | S | 75.1 | Confident | 82.9 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -73.4 | 141.7 | 175.8 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | Y1041 E1046 L1048 | Y1041-S1044 PolarHBondContact O-N 2.97Å; Y1041-S1044 PolarHBondContact O-OG 3.31Å; S1044-E1046 PolarHBondContact O-N 2.85Å; S1044-E1046 PolarHBondContact OG-O 3.48Å; S1044-L1048 WeakPolarHBondContact OG-CD1 3.47Å |
| 1045 | D | 63.9 | Low | 82.7 | Confident | 167 Ų | 167 | 55.6 Ų | 55.6 | 89% | 0.893 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -67.4 | -10.8 | 173.4 | -68.1 | -33.9 | 0 | 0 | 0 | 113 | ||
| 1046 | E | 74.2 | Confident | 82.7 | Confident | 141 Ų | 141 | 54.6 Ų | 54.6 | 66% | 0.659 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -77.6 | 140.9 | 175.8 | -62.9 | -177 | 176.8 | 0 | 0 | 111.1 | S1044 L1048 | S1044-E1046 PolarHBondContact O-N 2.85Å; S1044-E1046 PolarHBondContact OG-O 3.48Å; E1046-L1048 HydrophobicContact CB-CD2 4.24Å; E1046-L1048 HydrophobicContact CB-CG 4.01Å; E1046-L1048 PolarHBondContact O-N 3.39Å |
| 1047 | N | 72.6 | Confident | 82.9 | Confident | 155 Ų | 155 | 56.4 Ų | 56.4 | 83% | 0.829 | 31% | 0.31 | S | S | * | . | trans | -70.7 | 76 | 174.4 | -84.5 | -13.4 | 0 | 0 | 0 | 110.7 | D1049 | N1047-D1049 VanDerWaalsContact C-N 3.26Å; N1047-D1049 PolarHBondContact O-N 3.4Å | ||
| 1048 | L | 81.8 | Confident | 82.9 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | trans | -90.3 | 31.5 | 177.8 | -61.2 | -177 | 0 | 0 | 0 | 112.7 | Y1041 S1044 E1046 S1050 E1051 I1052 | Y1041-L1048 HydrophobicContact CD1-CD1 4.26Å; Y1041-L1048 HydrophobicContact CG-CD1 4.44Å; S1044-L1048 WeakPolarHBondContact OG-CD1 3.47Å; E1046-L1048 HydrophobicContact CB-CD2 4.24Å; E1046-L1048 HydrophobicContact CB-CG 4.01Å; E1046-L1048 PolarHBondContact O-N 3.39Å; L1048-S1050 PolarHBondContact O-N 3.2Å; L1048-S1050 VanDerWaalsContact O-N 3.14Å; L1048-E1051 VanDerWaalsContact CA-OE2 3.26Å; L1048-E1051 WeakPolarHBondContact CA-OE2 3.3Å; L1048-E1051 HydrophobicContact CB-CB 4.27Å; L1048-E1051 HydrophobicContact CD2-CG 4.41Å; L1048-E1051 PolarHBondContact O-N 2.94Å; L1048-E1051 VanDerWaalsContact O-N 3.17Å; L1048-I1052 VanDerWaalsContact O-CG1 3.22Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.49Å; L1048-I1052 PolarHBondContact O-N 3.16Å | ||
| 1049 | D | 79.5 | Confident | 83 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.7 | -31.1 | -177.7 | -82 | -18.5 | 0 | 0 | 0 | 112.1 | N1047 T1053 | N1047-D1049 VanDerWaalsContact C-N 3.26Å; N1047-D1049 PolarHBondContact O-N 3.4Å; D1049-T1053 VanDerWaalsContact O-CB 3.3Å; D1049-T1053 WeakPolarHBondContact O-CB 3.2Å; D1049-T1053 PolarHBondContact O-N 3.46Å; D1049-T1053 PolarHBondContact O-OG1 3.3Å |
| 1050 | S | 82.2 | Confident | 83.2 | Confident | 83 Ų | 83 | 58 Ų | 58 | 58% | 0.58 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -71.9 | -41.6 | 179.5 | 81.3 | 0 | 0 | 0 | 0 | 112.4 | L1048 T1053 Y1054 | L1048-S1050 PolarHBondContact O-N 3.2Å; L1048-S1050 VanDerWaalsContact O-N 3.14Å; S1050-T1053 PolarHBondContact O-N 2.86Å; S1050-Y1054 WeakPolarHBondContact O-CB 3.44Å; S1050-Y1054 PolarHBondContact O-N 2.73Å |
| 1051 | E | 85 | Confident | 83.4 | Confident | 76 Ų | 76 | 64 Ų | 64 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.4 | -39.1 | 178.5 | -65.4 | 81.6 | 170.8 | 0 | 0 | 110.8 | Y1041 L1048 Y1054 C1055 | Y1041-E1051 HydrophobicContact CD2-CB 4.29Å; L1048-E1051 VanDerWaalsContact CA-OE2 3.26Å; L1048-E1051 WeakPolarHBondContact CA-OE2 3.3Å; L1048-E1051 HydrophobicContact CB-CB 4.27Å; L1048-E1051 HydrophobicContact CD2-CG 4.41Å; L1048-E1051 PolarHBondContact O-N 2.94Å; L1048-E1051 VanDerWaalsContact O-N 3.17Å; E1051-Y1054 PolarHBondContact O-N 3.33Å; E1051-C1055 WeakPolarHBondContact O-CB 3.34Å; E1051-C1055 PolarHBondContact O-N 3.14Å; E1051-C1055 PolarHBondContact O-SG 2.74Å |
| 1052 | I | 86.3 | Confident | 83.5 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 172.4 | -65.3 | 164.7 | 0 | 0 | 0 | 109.6 | A1038 L1048 Y1054 C1055 L1056 L1076 | A1038-I1052 HydrophobicContact CB-CG2 4.36Å; L1048-I1052 VanDerWaalsContact O-CG1 3.22Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.49Å; L1048-I1052 PolarHBondContact O-N 3.16Å; I1052-Y1054 VanDerWaalsContact C-N 3.32Å; I1052-Y1054 PolarHBondContact O-N 3.48Å; I1052-C1055 PolarHBondContact O-N 2.97Å; I1052-L1056 HydrophobicContact CG2-CD1 3.95Å; I1052-L1056 HydrophobicContact CG2-CG 4.4Å; I1052-L1056 VanDerWaalsContact O-CG 3.29Å; I1052-L1056 WeakPolarHBondContact O-CG 3.5Å; I1052-L1056 PolarHBondContact O-N 2.99Å; I1052-L1076 HydrophobicContact CB-CD1 4.16Å; I1052-L1076 HydrophobicContact CG2-CD1 3.55Å |
| 1053 | T | 86.3 | Confident | 83.8 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | D1049 S1050 C1055 L1056 C1057 L1073 L1076 | D1049-T1053 VanDerWaalsContact O-CB 3.3Å; D1049-T1053 WeakPolarHBondContact O-CB 3.2Å; D1049-T1053 PolarHBondContact O-N 3.46Å; D1049-T1053 PolarHBondContact O-OG1 3.3Å; S1050-T1053 PolarHBondContact O-N 2.86Å; T1053-C1055 PolarHBondContact O-N 3.4Å; T1053-L1056 PolarHBondContact O-N 2.85Å; T1053-C1057 WeakPolarHBondContact O-CB 3.39Å; T1053-C1057 PolarHBondContact O-N 3.35Å; T1053-C1057 PolarHBondContact O-SG 3.41Å; T1053-L1073 HydrophobicContact CG2-CD1 4.04Å; T1053-L1076 WeakPolarHBondContact OG1-CD2 3.39Å |
| 1054 | Y | 90.3 | Very high | 84.2 | Confident | 128 Ų | 128 | 64.8 Ų | 64.8 | 50% | 0.502 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 176 | 177.1 | -97.6 | 0 | 0 | 0 | 112.2 | W1034 S1050 E1051 I1052 L1056 C1057 Q1058 | W1034-Y1054 HydrophobicContact CH2-CE1 4.19Å; W1034-Y1054 HydrophobicContact CZ3-CE1 4.18Å; S1050-Y1054 WeakPolarHBondContact O-CB 3.44Å; S1050-Y1054 PolarHBondContact O-N 2.73Å; E1051-Y1054 PolarHBondContact O-N 3.33Å; I1052-Y1054 VanDerWaalsContact C-N 3.32Å; I1052-Y1054 PolarHBondContact O-N 3.48Å; Y1054-L1056 PolarHBondContact O-N 3.47Å; Y1054-C1057 PolarHBondContact O-N 2.97Å; Y1054-Q1058 HydrophobicContact CD1-CG 4.23Å; Y1054-Q1058 HydrophobicContact CE1-CG 3.81Å; Y1054-Q1058 HydrophobicContact CE2-CG 4.2Å; Y1054-Q1058 WeakPolarHBondContact O-CG 3.41Å; Y1054-Q1058 PolarHBondContact O-N 2.64Å; Y1054-Q1058 PolarHBondContact OH-NE2 3.21Å |
| 1055 | C | 90.2 | Very high | 84.6 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 179.2 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | W1034 A1038 E1051 I1052 T1053 Q1058 A1059 | W1034-C1055 HydrophobicContact CE3-CB 4.18Å; A1038-C1055 HydrophobicContact CB-CB 3.66Å; E1051-C1055 WeakPolarHBondContact O-CB 3.34Å; E1051-C1055 PolarHBondContact O-N 3.14Å; E1051-C1055 PolarHBondContact O-SG 2.74Å; I1052-C1055 PolarHBondContact O-N 2.97Å; T1053-C1055 PolarHBondContact O-N 3.4Å; C1055-Q1058 PolarHBondContact O-N 3Å; C1055-A1059 WeakPolarHBondContact O-CB 3.44Å; C1055-A1059 PolarHBondContact O-N 3.03Å |
| 1056 | L | 89.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.1 | -66.1 | 173.6 | 0 | 0 | 0 | 111.7 | A1038 I1052 T1053 Y1054 A1059 L1060 V1069 N1072 L1073 | A1038-L1056 HydrophobicContact CB-CD2 3.79Å; A1038-L1056 HydrophobicContact CB-CG 3.92Å; I1052-L1056 HydrophobicContact CG2-CD1 3.95Å; I1052-L1056 HydrophobicContact CG2-CG 4.4Å; I1052-L1056 VanDerWaalsContact O-CG 3.29Å; I1052-L1056 WeakPolarHBondContact O-CG 3.5Å; I1052-L1056 PolarHBondContact O-N 2.99Å; T1053-L1056 PolarHBondContact O-N 2.85Å; Y1054-L1056 PolarHBondContact O-N 3.47Å; L1056-A1059 PolarHBondContact O-N 2.93Å; L1056-L1060 PolarHBondContact O-N 2.83Å; L1056-V1069 HydrophobicContact CB-CG1 4Å; L1056-V1069 HydrophobicContact CD2-CG1 3.81Å; L1056-V1069 VanDerWaalsContact O-CG1 3.27Å; L1056-V1069 WeakPolarHBondContact O-CG1 3.45Å; L1056-N1072 HydrophobicContact CD1-CB 4.23Å; L1056-N1072 HydrophobicContact CD2-CB 4.2Å; L1056-L1073 HydrophobicContact CB-CD1 4.21Å; L1056-L1073 HydrophobicContact CD1-CB 4.31Å; L1056-L1073 HydrophobicContact CD1-CD1 4.32Å |
| 1057 | C | 89.9 | Confident | 86.2 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 173.9 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | T1053 Y1054 A1059 L1060 L1061 | T1053-C1057 WeakPolarHBondContact O-CB 3.39Å; T1053-C1057 PolarHBondContact O-N 3.35Å; T1053-C1057 PolarHBondContact O-SG 3.41Å; Y1054-C1057 PolarHBondContact O-N 2.97Å; C1057-A1059 VanDerWaalsContact C-N 3.3Å; C1057-A1059 PolarHBondContact O-N 3.18Å; C1057-L1060 PolarHBondContact O-N 3.26Å; C1057-L1061 WeakPolarHBondContact O-CG 3.38Å; C1057-L1061 PolarHBondContact O-N 3.18Å |
| 1058 | Q | 90.4 | Very high | 86.7 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 173.4 | -70.7 | -60.7 | -24.8 | 0 | 0 | 111.1 | W1034 Y1054 C1055 L1060 L1061 Y1062 | W1034-Q1058 HydrophobicContact CB-CB 4.46Å; W1034-Q1058 HydrophobicContact CD2-CB 3.74Å; W1034-Q1058 HydrophobicContact CD2-CG 4.4Å; W1034-Q1058 HydrophobicContact CE3-CB 4.12Å; W1034-Q1058 HydrophobicContact CE3-CG 4.5Å; W1034-Q1058 HydrophobicContact CG-CB 3.89Å; W1034-Q1058 HydrophobicContact CZ2-CG 4.43Å; Y1054-Q1058 HydrophobicContact CD1-CG 4.23Å; Y1054-Q1058 HydrophobicContact CE1-CG 3.81Å; Y1054-Q1058 HydrophobicContact CE2-CG 4.2Å; Y1054-Q1058 WeakPolarHBondContact O-CG 3.41Å; Y1054-Q1058 PolarHBondContact O-N 2.64Å; Y1054-Q1058 PolarHBondContact OH-NE2 3.21Å; C1055-Q1058 PolarHBondContact O-N 3Å; Q1058-L1060 VanDerWaalsContact C-N 3.28Å; Q1058-L1060 PolarHBondContact O-N 3.22Å; Q1058-L1061 PolarHBondContact O-N 3.01Å; Q1058-L1061 VanDerWaalsContact O-N 3.15Å; Q1058-Y1062 WeakPolarHBondContact O-CD2 3.41Å; Q1058-Y1062 PolarHBondContact O-N 3.4Å |
| 1059 | A | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1031 W1034 A1035 C1055 L1056 C1057 N1063 V1069 | S1031-A1059 WeakPolarHBondContact CB-O 3.47Å; S1031-A1059 WeakPolarHBondContact O-CB 3.04Å; S1031-A1059 PolarHBondContact OG-O 3.46Å; W1034-A1059 HydrophobicContact CB-CB 3.75Å; A1035-A1059 HydrophobicContact CB-CB 4.22Å; C1055-A1059 WeakPolarHBondContact O-CB 3.44Å; C1055-A1059 PolarHBondContact O-N 3.03Å; L1056-A1059 PolarHBondContact O-N 2.93Å; C1057-A1059 VanDerWaalsContact C-N 3.3Å; C1057-A1059 PolarHBondContact O-N 3.18Å; A1059-N1063 PolarHBondContact O-N 3.38Å; A1059-V1069 HydrophobicContact CB-CG1 3.88Å; A1059-V1069 HydrophobicContact CB-CG2 4.04Å |
| 1060 | L | 88.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.7 | -33.5 | 174.7 | -68.4 | 175.5 | 0 | 0 | 0 | 113.3 | L1056 C1057 Q1058 Y1062 N1063 P1064 N1066 V1069 M1070 L1073 | L1056-L1060 PolarHBondContact O-N 2.83Å; C1057-L1060 PolarHBondContact O-N 3.26Å; Q1058-L1060 VanDerWaalsContact C-N 3.28Å; Q1058-L1060 PolarHBondContact O-N 3.22Å; L1060-Y1062 VanDerWaalsContact C-N 3.28Å; L1060-Y1062 PolarHBondContact O-N 2.91Å; L1060-N1063 CarbonylContact O-C 3.48Å; L1060-N1063 PolarHBondContact O-N 3.19Å; L1060-P1064 WeakPolarHBondContact O-CA 3.28Å; L1060-P1064 VanDerWaalsContact O-N 3.08Å; L1060-N1066 HydrophobicContact CD2-CB 4.47Å; L1060-V1069 HydrophobicContact CD1-CG1 4.22Å; L1060-V1069 HydrophobicContact CD2-CB 3.91Å; L1060-V1069 HydrophobicContact CD2-CG1 3.81Å; L1060-V1069 HydrophobicContact CG-CB 4.28Å; L1060-V1069 HydrophobicContact CG-CG1 3.59Å; L1060-M1070 HydrophobicContact CD1-CG 4.21Å; L1060-M1070 HydrophobicContact CD2-CE 4.42Å; L1060-M1070 HydrophobicContact CD2-CG 3.58Å; L1060-L1073 HydrophobicContact CD1-CD2 3.69Å |
| 1061 | L | 89.7 | Confident | 87.5 | Confident | 131 Ų | 131 | 41 Ų | 41 | 69% | 0.686 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60 | -40.3 | 175.6 | -74.5 | 172.9 | 0 | 0 | 0 | 111.5 | C1057 Q1058 | C1057-L1061 WeakPolarHBondContact O-CG 3.38Å; C1057-L1061 PolarHBondContact O-N 3.18Å; Q1058-L1061 PolarHBondContact O-N 3.01Å; Q1058-L1061 VanDerWaalsContact O-N 3.15Å |
| 1062 | Y | 88.5 | Confident | 87.5 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -77 | -41.8 | 176.7 | -69.8 | -73.1 | 0 | 0 | 0 | 112.8 | K1027 Q1030 W1034 Q1058 L1060 | K1027-Y1062 WeakPolarHBondContact CB-O 3.44Å; K1027-Y1062 HydrophobicContact CG-CD1 4.41Å; K1027-Y1062 WeakPolarHBondContact O-CB 3.42Å; Q1030-Y1062 HydrophobicContact CB-CD1 4.08Å; Q1030-Y1062 HydrophobicContact CB-CD2 4.05Å; Q1030-Y1062 HydrophobicContact CB-CE1 4.47Å; Q1030-Y1062 HydrophobicContact CB-CE2 4.49Å; Q1030-Y1062 HydrophobicContact CB-CG 3.85Å; Q1030-Y1062 VanDerWaalsContact OE1-CE1 3.3Å; W1034-Y1062 AromaticContact CD1-CD2 3.76Å; W1034-Y1062 AromaticContact CD1-CE2 3.75Å; W1034-Y1062 AromaticContact NE1-CD2 3.97Å; W1034-Y1062 AromaticContact NE1-CE2 3.44Å; Q1058-Y1062 WeakPolarHBondContact O-CD2 3.41Å; Q1058-Y1062 PolarHBondContact O-N 3.4Å; L1060-Y1062 VanDerWaalsContact C-N 3.28Å; L1060-Y1062 PolarHBondContact O-N 2.91Å |
| 1063 | N | 87.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | trans | -133.1 | 95.3 | 177.2 | -174.7 | 19.6 | 0 | 0 | 0 | 110.7 | S1031 A1059 L1060 D1065 N1066 | S1031-N1063 VanDerWaalsContact CB-CB 3.43Å; S1031-N1063 WeakPolarHBondContact OG-CB 3.49Å; A1059-N1063 PolarHBondContact O-N 3.38Å; L1060-N1063 CarbonylContact O-C 3.48Å; L1060-N1063 PolarHBondContact O-N 3.19Å; N1063-D1065 PolarHBondContact O-N 3.23Å; N1063-D1065 PolarHBondContact OD1-N 3.42Å; N1063-N1066 HydrophobicContact CB-CB 4.42Å; N1063-N1066 WeakPolarHBondContact O-CB 3.39Å; N1063-N1066 PolarHBondContact O-N 3.07Å | ||
| 1064 | P | 86 | Confident | 87.5 | Confident | 75 Ų | 75 | 39.2 Ų | 39.2 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.6 | -180 | 26.6 | -33.9 | 0 | 0 | 0 | 111.9 | L1060 N1066 M1070 | L1060-P1064 WeakPolarHBondContact O-CA 3.28Å; L1060-P1064 VanDerWaalsContact O-N 3.08Å; P1064-N1066 PolarHBondContact O-N 3.38Å; P1064-M1070 WeakPolarHBondContact O-CE 3.44Å |
| 1065 | D | 84.4 | Confident | 87.2 | Confident | 96 Ų | 96 | 35.8 Ų | 35.8 | 51% | 0.513 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 0.4 | -178.7 | -58.9 | -22.2 | 0 | 0 | 0 | 113.4 | N1063 T1067 I1096 | N1063-D1065 PolarHBondContact O-N 3.23Å; N1063-D1065 PolarHBondContact OD1-N 3.42Å; D1065-T1067 VanDerWaalsContact C-N 3.34Å; D1065-T1067 PolarHBondContact O-N 3.16Å; D1065-I1096 HydrophobicContact CB-CG2 3.85Å |
| 1066 | N | 85.8 | Confident | 86.8 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | trans | -76.7 | 82.7 | -176.2 | -165.5 | -13.4 | 0 | 0 | 0 | 112.2 | S1031 L1060 N1063 P1064 T1068 V1069 M1070 | S1031-N1066 PolarHBondContact OG-ND2 3.39Å; S1031-N1066 VanDerWaalsContact OG-ND2 3.07Å; L1060-N1066 HydrophobicContact CD2-CB 4.47Å; N1063-N1066 HydrophobicContact CB-CB 4.42Å; N1063-N1066 WeakPolarHBondContact O-CB 3.39Å; N1063-N1066 PolarHBondContact O-N 3.07Å; P1064-N1066 PolarHBondContact O-N 3.38Å; N1066-T1068 PolarHBondContact O-N 3.4Å; N1066-T1068 PolarHBondContact OD1-N 2.95Å; N1066-T1068 PolarHBondContact OD1-OG1 3.33Å; N1066-V1069 HydrophobicContact CB-CB 4.31Å; N1066-V1069 HydrophobicContact CB-CG2 4.24Å; N1066-V1069 VanDerWaalsContact ND2-CG2 3.26Å; N1066-V1069 WeakPolarHBondContact ND2-CG2 3.34Å; N1066-V1069 PolarHBondContact O-N 3.03Å; N1066-M1070 PolarHBondContact O-N 3.31Å; N1066-M1070 VanDerWaalsContact O-N 3.12Å | ||
| 1067 | T | 86.1 | Confident | 86.5 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -28.7 | -178.5 | 60 | 0 | 0 | 0 | 0 | 114 | D1065 V1069 M1070 V1071 A1093 I1096 N1097 N1100 | D1065-T1067 VanDerWaalsContact C-N 3.34Å; D1065-T1067 PolarHBondContact O-N 3.16Å; T1067-V1069 VanDerWaalsContact C-N 3.33Å; T1067-V1069 PolarHBondContact O-N 3.21Å; T1067-M1070 PolarHBondContact O-N 3.4Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.31Å; T1067-V1071 PolarHBondContact O-N 3.06Å; T1067-A1093 HydrophobicContact CG2-CB 4.05Å; T1067-I1096 HydrophobicContact CG2-CB 3.87Å; T1067-I1096 HydrophobicContact CG2-CG2 3.89Å; T1067-N1097 HydrophobicContact CG2-CB 3.53Å; T1067-N1100 PolarHBondContact OG1-ND2 3.19Å |
| 1068 | T | 82.5 | Confident | 85.9 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 34% | 0.344 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.5 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | N1066 N1072 | N1066-T1068 PolarHBondContact O-N 3.4Å; N1066-T1068 PolarHBondContact OD1-N 2.95Å; N1066-T1068 PolarHBondContact OD1-OG1 3.33Å; T1068-N1072 VanDerWaalsContact O-CG 3.27Å; T1068-N1072 PolarHBondContact O-N 3.33Å; T1068-N1072 VanDerWaalsContact O-N 3.1Å |
| 1069 | V | 86.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.7 | -41.5 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | A1035 L1056 A1059 L1060 N1066 T1067 V1071 N1072 L1073 | A1035-V1069 HydrophobicContact CB-CG2 3.55Å; L1056-V1069 HydrophobicContact CB-CG1 4Å; L1056-V1069 HydrophobicContact CD2-CG1 3.81Å; L1056-V1069 VanDerWaalsContact O-CG1 3.27Å; L1056-V1069 WeakPolarHBondContact O-CG1 3.45Å; A1059-V1069 HydrophobicContact CB-CG1 3.88Å; A1059-V1069 HydrophobicContact CB-CG2 4.04Å; L1060-V1069 HydrophobicContact CD1-CG1 4.22Å; L1060-V1069 HydrophobicContact CD2-CB 3.91Å; L1060-V1069 HydrophobicContact CD2-CG1 3.81Å; L1060-V1069 HydrophobicContact CG-CB 4.28Å; L1060-V1069 HydrophobicContact CG-CG1 3.59Å; N1066-V1069 HydrophobicContact CB-CB 4.31Å; N1066-V1069 HydrophobicContact CB-CG2 4.24Å; N1066-V1069 VanDerWaalsContact ND2-CG2 3.26Å; N1066-V1069 WeakPolarHBondContact ND2-CG2 3.34Å; N1066-V1069 PolarHBondContact O-N 3.03Å; T1067-V1069 VanDerWaalsContact C-N 3.33Å; T1067-V1069 PolarHBondContact O-N 3.21Å; V1069-V1071 VanDerWaalsContact C-N 3.28Å; V1069-V1071 PolarHBondContact O-N 3.43Å; V1069-N1072 PolarHBondContact O-N 3.46Å; V1069-L1073 WeakPolarHBondContact O-CB 3.45Å; V1069-L1073 PolarHBondContact O-N 3.44Å |
| 1070 | M | 89.5 | Confident | 84.7 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 173.8 | -68.5 | 178.2 | 157.4 | 0 | 0 | 111.8 | L1060 P1064 N1066 T1067 L1073 A1074 Q1092 A1093 I1096 | L1060-M1070 HydrophobicContact CD1-CG 4.21Å; L1060-M1070 HydrophobicContact CD2-CE 4.42Å; L1060-M1070 HydrophobicContact CD2-CG 3.58Å; P1064-M1070 WeakPolarHBondContact O-CE 3.44Å; N1066-M1070 PolarHBondContact O-N 3.31Å; N1066-M1070 VanDerWaalsContact O-N 3.12Å; T1067-M1070 PolarHBondContact O-N 3.4Å; M1070-L1073 PolarHBondContact O-N 3.23Å; M1070-A1074 VanDerWaalsContact O-CB 3.27Å; M1070-A1074 WeakPolarHBondContact O-CB 3.4Å; M1070-A1074 PolarHBondContact O-N 3.45Å; M1070-Q1092 HydrophobicContact CE-CB 4.2Å; M1070-Q1092 HydrophobicContact SD-CB 4.33Å; M1070-A1093 HydrophobicContact CB-CB 4.04Å; M1070-A1093 HydrophobicContact SD-CB 3.87Å; M1070-I1096 HydrophobicContact CE-CD1 3.69Å; M1070-I1096 HydrophobicContact SD-CD1 3.96Å |
| 1071 | V | 85 | Confident | 84 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | T1067 V1069 L1073 A1074 M1075 R1102 V1103 V1106 | T1067-V1071 WeakPolarHBondContact O-CG2 3.31Å; T1067-V1071 PolarHBondContact O-N 3.06Å; V1069-V1071 VanDerWaalsContact C-N 3.28Å; V1069-V1071 PolarHBondContact O-N 3.43Å; V1071-L1073 VanDerWaalsContact C-N 3.31Å; V1071-L1073 PolarHBondContact O-N 2.88Å; V1071-A1074 PolarHBondContact O-N 3.06Å; V1071-M1075 WeakPolarHBondContact O-CG 3.46Å; V1071-M1075 PolarHBondContact O-N 3.19Å; V1071-R1102 HydrophobicContact CG1-CB 3.9Å; V1071-R1102 HydrophobicContact CG2-CB 4.48Å; V1071-V1103 HydrophobicContact CG2-CB 4.1Å; V1071-V1103 HydrophobicContact CG2-CG2 3.42Å; V1071-V1103 VanDerWaalsContact CG2-CG2 3.42Å; V1071-V1106 HydrophobicContact CG1-CB 4.22Å; V1071-V1106 HydrophobicContact CG1-CG2 3.48Å; V1071-V1106 VanDerWaalsContact CG1-CG2 3.48Å |
| 1072 | N | 84.4 | Confident | 83.5 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.5 | -71.5 | -9.5 | 0 | 0 | 0 | 111.3 | L1056 T1068 V1069 M1075 L1076 | L1056-N1072 HydrophobicContact CD1-CB 4.23Å; L1056-N1072 HydrophobicContact CD2-CB 4.2Å; T1068-N1072 VanDerWaalsContact O-CG 3.27Å; T1068-N1072 PolarHBondContact O-N 3.33Å; T1068-N1072 VanDerWaalsContact O-N 3.1Å; V1069-N1072 PolarHBondContact O-N 3.46Å; N1072-M1075 PolarHBondContact O-N 3.1Å; N1072-L1076 PolarHBondContact O-N 2.87Å; N1072-L1076 VanDerWaalsContact O-N 3.09Å |
| 1073 | L | 88.4 | Confident | 83.1 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 175.4 | -173.8 | 65.5 | 0 | 0 | 0 | 111 | T1053 L1056 L1060 V1069 M1070 V1071 M1075 L1076 Q1077 L1089 | T1053-L1073 HydrophobicContact CG2-CD1 4.04Å; L1056-L1073 HydrophobicContact CB-CD1 4.21Å; L1056-L1073 HydrophobicContact CD1-CB 4.31Å; L1056-L1073 HydrophobicContact CD1-CD1 4.32Å; L1060-L1073 HydrophobicContact CD1-CD2 3.69Å; V1069-L1073 WeakPolarHBondContact O-CB 3.45Å; V1069-L1073 PolarHBondContact O-N 3.44Å; M1070-L1073 PolarHBondContact O-N 3.23Å; V1071-L1073 VanDerWaalsContact C-N 3.31Å; V1071-L1073 PolarHBondContact O-N 2.88Å; L1073-M1075 VanDerWaalsContact C-N 3.31Å; L1073-M1075 PolarHBondContact O-N 3.38Å; L1073-L1076 PolarHBondContact O-N 3.42Å; L1073-Q1077 HydrophobicContact CG-CG 4.46Å; L1073-Q1077 WeakPolarHBondContact O-CB 3.24Å; L1073-Q1077 VanDerWaalsContact O-CG 3.3Å; L1073-Q1077 WeakPolarHBondContact O-CG 3.36Å; L1073-Q1077 PolarHBondContact O-N 3.37Å; L1073-L1089 HydrophobicContact CB-CD1 4.19Å; L1073-L1089 HydrophobicContact CD2-CD1 3.75Å; L1073-L1089 HydrophobicContact CD2-CD2 4.23Å; L1073-L1089 HydrophobicContact CG-CD1 3.79Å |
| 1074 | A | 85.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1070 V1071 Q1077 M1078 A1086 L1089 V1090 V1106 | M1070-A1074 VanDerWaalsContact O-CB 3.27Å; M1070-A1074 WeakPolarHBondContact O-CB 3.4Å; M1070-A1074 PolarHBondContact O-N 3.45Å; V1071-A1074 PolarHBondContact O-N 3.06Å; A1074-Q1077 PolarHBondContact O-N 3.38Å; A1074-M1078 VanDerWaalsContact O-CB 3.3Å; A1074-M1078 WeakPolarHBondContact O-CB 3.26Å; A1074-M1078 PolarHBondContact O-N 3Å; A1074-A1086 HydrophobicContact CB-CB 4.22Å; A1074-A1086 WeakPolarHBondContact O-CB 3.04Å; A1074-L1089 HydrophobicContact CB-CB 4.05Å; A1074-L1089 HydrophobicContact CB-CD1 4.31Å; A1074-V1090 HydrophobicContact CB-CG2 3.77Å; A1074-V1106 HydrophobicContact CB-CG1 4.44Å |
| 1075 | M | 82.5 | Confident | 82.7 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.5 | -77.5 | -65.1 | -64.9 | 0 | 0 | 112.6 | V1071 N1072 L1073 M1078 K1079 V1106 Q1109 | V1071-M1075 WeakPolarHBondContact O-CG 3.46Å; V1071-M1075 PolarHBondContact O-N 3.19Å; N1072-M1075 PolarHBondContact O-N 3.1Å; L1073-M1075 VanDerWaalsContact C-N 3.31Å; L1073-M1075 PolarHBondContact O-N 3.38Å; M1075-M1078 HydrophobicContact CE-CE 3.93Å; M1075-M1078 PolarHBondContact O-N 3.45Å; M1075-M1078 HydrophobicContact SD-CE 3.64Å; M1075-K1079 PolarHBondContact O-N 3.25Å; M1075-K1079 VanDerWaalsContact O-N 3.08Å; M1075-V1106 HydrophobicContact CG-CG1 4.23Å; M1075-V1106 HydrophobicContact CG-CG2 3.62Å; M1075-V1106 HydrophobicContact SD-CB 4.27Å; M1075-V1106 HydrophobicContact SD-CG1 3.87Å; M1075-V1106 HydrophobicContact SD-CG2 3.46Å; M1075-V1106 WeakPolarHBondContact SD-CG2 3.23Å; M1075-Q1109 PolarHBondContact SD-OE1 2.81Å |
| 1076 | L | 83 | Confident | 82.7 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.2 | -162.2 | 156 | 0 | 0 | 0 | 110.5 | I1052 T1053 N1072 L1073 M1078 K1079 Q1080 | I1052-L1076 HydrophobicContact CB-CD1 4.16Å; I1052-L1076 HydrophobicContact CG2-CD1 3.55Å; T1053-L1076 WeakPolarHBondContact OG1-CD2 3.39Å; N1072-L1076 PolarHBondContact O-N 2.87Å; N1072-L1076 VanDerWaalsContact O-N 3.09Å; L1073-L1076 PolarHBondContact O-N 3.42Å; L1076-M1078 PolarHBondContact O-N 2.97Å; L1076-K1079 WeakPolarHBondContact O-CB 3.48Å; L1076-K1079 PolarHBondContact O-N 3.48Å; L1076-Q1080 HydrophobicContact CD2-CG 4.29Å; L1076-Q1080 WeakPolarHBondContact O-CG 3.39Å; L1076-Q1080 PolarHBondContact O-N 3.15Å |
| 1077 | Q | 83.1 | Confident | 82.7 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 174.9 | -67.7 | -55 | -23.8 | 0 | 0 | 113 | L1073 A1074 K1079 Q1080 G1081 Q1082 A1086 | L1073-Q1077 HydrophobicContact CG-CG 4.46Å; L1073-Q1077 WeakPolarHBondContact O-CB 3.24Å; L1073-Q1077 VanDerWaalsContact O-CG 3.3Å; L1073-Q1077 WeakPolarHBondContact O-CG 3.36Å; L1073-Q1077 PolarHBondContact O-N 3.37Å; A1074-Q1077 PolarHBondContact O-N 3.38Å; Q1077-K1079 VanDerWaalsContact C-N 3.34Å; Q1077-K1079 PolarHBondContact O-N 3.02Å; Q1077-Q1080 CarbonylContact O-C 3.54Å; Q1077-Q1080 PolarHBondContact O-N 2.74Å; Q1077-Q1080 VanDerWaalsContact O-N 3.17Å; Q1077-G1081 PolarHBondContact O-N 2.63Å; Q1077-G1081 VanDerWaalsContact O-N 3.15Å; Q1077-Q1082 HydrophobicContact CB-CB 4.3Å; Q1077-Q1082 PolarHBondContact O-N 3.18Å; Q1077-A1086 HydrophobicContact CB-CB 4.36Å |
| 1078 | M | 76.5 | Confident | 82.7 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 173.2 | -171.8 | 177.5 | 70.8 | 0 | 0 | 111.5 | A1074 M1075 L1076 Q1080 G1081 A1086 Q1109 L1110 | A1074-M1078 VanDerWaalsContact O-CB 3.3Å; A1074-M1078 WeakPolarHBondContact O-CB 3.26Å; A1074-M1078 PolarHBondContact O-N 3Å; M1075-M1078 HydrophobicContact CE-CE 3.93Å; M1075-M1078 PolarHBondContact O-N 3.45Å; M1075-M1078 HydrophobicContact SD-CE 3.64Å; L1076-M1078 PolarHBondContact O-N 2.97Å; M1078-Q1080 VanDerWaalsContact C-N 3.32Å; M1078-Q1080 PolarHBondContact O-N 3.23Å; M1078-G1081 PolarHBondContact O-N 3.34Å; M1078-A1086 HydrophobicContact CB-CB 4.4Å; M1078-Q1109 HydrophobicContact CE-CB 4.46Å; M1078-Q1109 HydrophobicContact SD-CB 4.49Å; M1078-L1110 HydrophobicContact CB-CD2 4.43Å; M1078-L1110 HydrophobicContact CG-CD2 4.02Å; M1078-L1110 HydrophobicContact SD-CD2 3.68Å; M1078-L1110 HydrophobicContact SD-CG 4.08Å |
| 1079 | K | 74.7 | Confident | 83 | Confident | 180 Ų | 180 | 50.7 Ų | 50.7 | 78% | 0.783 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.7 | -34.3 | 173.1 | -74 | -178 | 178.1 | -176.6 | 0 | 112.7 | M1075 L1076 Q1077 G1081 | M1075-K1079 PolarHBondContact O-N 3.25Å; M1075-K1079 VanDerWaalsContact O-N 3.08Å; L1076-K1079 WeakPolarHBondContact O-CB 3.48Å; L1076-K1079 PolarHBondContact O-N 3.48Å; Q1077-K1079 VanDerWaalsContact C-N 3.34Å; Q1077-K1079 PolarHBondContact O-N 3.02Å; K1079-G1081 PolarHBondContact O-N 2.97Å |
| 1080 | Q | 80.4 | Confident | 82.9 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.4 | 175.6 | -67.6 | -179.5 | -3.8 | 0 | 0 | 113.5 | L1076 Q1077 M1078 Q1082 | L1076-Q1080 HydrophobicContact CD2-CG 4.29Å; L1076-Q1080 WeakPolarHBondContact O-CG 3.39Å; L1076-Q1080 PolarHBondContact O-N 3.15Å; Q1077-Q1080 CarbonylContact O-C 3.54Å; Q1077-Q1080 PolarHBondContact O-N 2.74Å; Q1077-Q1080 VanDerWaalsContact O-N 3.17Å; M1078-Q1080 VanDerWaalsContact C-N 3.32Å; M1078-Q1080 PolarHBondContact O-N 3.23Å; Q1080-Q1082 VanDerWaalsContact C-N 3.34Å |
| 1081 | G | 73.7 | Confident | 82.8 | Confident | 55 Ų | 55 | 56 Ų | 56 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 6.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | Q1077 M1078 K1079 T1083 | Q1077-G1081 PolarHBondContact O-N 2.63Å; Q1077-G1081 VanDerWaalsContact O-N 3.15Å; M1078-G1081 PolarHBondContact O-N 3.34Å; K1079-G1081 PolarHBondContact O-N 2.97Å; G1081-T1083 VanDerWaalsContact C-N 3.35Å; G1081-T1083 PolarHBondContact O-N 3.39Å; G1081-T1083 VanDerWaalsContact O-N 3.11Å |
| 1082 | Q | 80.4 | Confident | 83 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -86.3 | 71.3 | 179.1 | -60 | -174.4 | 21.3 | 0 | 0 | 110.9 | Q1077 Q1080 L1085 A1086 | Q1077-Q1082 HydrophobicContact CB-CB 4.3Å; Q1077-Q1082 PolarHBondContact O-N 3.18Å; Q1080-Q1082 VanDerWaalsContact C-N 3.34Å; Q1082-L1085 HydrophobicContact CB-CB 4.46Å; Q1082-L1085 HydrophobicContact CB-CD1 4.4Å; Q1082-A1086 PolarHBondContact O-N 3.38Å | ||
| 1083 | T | 78.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | -174.2 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | G1081 L1085 A1086 V1087 | G1081-T1083 VanDerWaalsContact C-N 3.35Å; G1081-T1083 PolarHBondContact O-N 3.39Å; G1081-T1083 VanDerWaalsContact O-N 3.11Å; T1083-L1085 PolarHBondContact O-N 3.33Å; T1083-A1086 PolarHBondContact O-N 3.37Å; T1083-V1087 VanDerWaalsContact O-CG2 3.29Å; T1083-V1087 WeakPolarHBondContact O-CG2 3.28Å; T1083-V1087 PolarHBondContact O-N 3.15Å |
| 1084 | E | 82.8 | Confident | 82.8 | Confident | 160 Ų | 160 | 59 Ų | 59 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | -179.4 | -68.7 | -178 | 175.4 | 0 | 0 | 112.6 | V1087 N1088 | E1084-V1087 PolarHBondContact O-N 2.94Å; E1084-N1088 PolarHBondContact O-N 3.26Å; E1084-N1088 PolarHBondContact O-ND2 3.1Å |
| 1085 | L | 84.1 | Confident | 82.8 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 176.4 | -80.3 | 163.1 | 0 | 0 | 0 | 111.5 | Q1082 T1083 N1088 L1089 | Q1082-L1085 HydrophobicContact CB-CB 4.46Å; Q1082-L1085 HydrophobicContact CB-CD1 4.4Å; T1083-L1085 PolarHBondContact O-N 3.33Å; L1085-N1088 PolarHBondContact O-N 2.98Å; L1085-L1089 WeakPolarHBondContact O-CB 3.22Å; L1085-L1089 VanDerWaalsContact O-CG 3.31Å; L1085-L1089 WeakPolarHBondContact O-CG 3.16Å; L1085-L1089 PolarHBondContact O-N 3.2Å |
| 1086 | A | 83.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1074 Q1077 M1078 Q1082 T1083 V1090 L1110 | A1074-A1086 HydrophobicContact CB-CB 4.22Å; A1074-A1086 WeakPolarHBondContact O-CB 3.04Å; Q1077-A1086 HydrophobicContact CB-CB 4.36Å; M1078-A1086 HydrophobicContact CB-CB 4.4Å; Q1082-A1086 PolarHBondContact O-N 3.38Å; T1083-A1086 PolarHBondContact O-N 3.37Å; A1086-V1090 WeakPolarHBondContact O-CB 3.4Å; A1086-V1090 VanDerWaalsContact O-CG2 3.29Å; A1086-V1090 WeakPolarHBondContact O-CG2 3.44Å; A1086-V1090 PolarHBondContact O-N 2.89Å; A1086-L1110 HydrophobicContact CB-CD1 4.14Å; A1086-L1110 HydrophobicContact CB-CD2 3.82Å |
| 1087 | V | 84.8 | Confident | 82.6 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | T1083 E1084 L1089 V1090 E1091 L1110 M1114 | T1083-V1087 VanDerWaalsContact O-CG2 3.29Å; T1083-V1087 WeakPolarHBondContact O-CG2 3.28Å; T1083-V1087 PolarHBondContact O-N 3.15Å; E1084-V1087 PolarHBondContact O-N 2.94Å; V1087-L1089 VanDerWaalsContact C-N 3.33Å; V1087-L1089 PolarHBondContact O-N 3.35Å; V1087-V1090 PolarHBondContact O-N 2.85Å; V1087-V1090 VanDerWaalsContact O-N 3.13Å; V1087-E1091 HydrophobicContact CG1-CG 4.29Å; V1087-E1091 WeakPolarHBondContact O-CG 3.38Å; V1087-E1091 PolarHBondContact O-N 3.38Å; V1087-L1110 HydrophobicContact CG2-CD1 4.31Å; V1087-L1110 HydrophobicContact CG2-CD2 4.47Å; V1087-M1114 HydrophobicContact CG2-CE 3.95Å; V1087-M1114 HydrophobicContact CG2-SD 3.59Å; V1087-M1114 VanDerWaalsContact CG2-SD 3.59Å |
| 1088 | N | 87.7 | Confident | 82.4 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 179.2 | -71 | -19.3 | 0 | 0 | 0 | 112.2 | E1084 L1085 E1091 Q1092 | E1084-N1088 PolarHBondContact O-N 3.26Å; E1084-N1088 PolarHBondContact O-ND2 3.1Å; L1085-N1088 PolarHBondContact O-N 2.98Å; N1088-E1091 PolarHBondContact O-N 3.17Å; N1088-Q1092 WeakPolarHBondContact O-CB 3.3Å; N1088-Q1092 VanDerWaalsContact O-CG 3.26Å; N1088-Q1092 WeakPolarHBondContact O-CG 3.38Å; N1088-Q1092 PolarHBondContact O-N 2.92Å |
| 1089 | L | 87.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.4 | -74.4 | 170.4 | 0 | 0 | 0 | 112.2 | L1073 A1074 L1085 V1087 A1093 | L1073-L1089 HydrophobicContact CB-CD1 4.19Å; L1073-L1089 HydrophobicContact CD2-CD1 3.75Å; L1073-L1089 HydrophobicContact CD2-CD2 4.23Å; L1073-L1089 HydrophobicContact CG-CD1 3.79Å; A1074-L1089 HydrophobicContact CB-CB 4.05Å; A1074-L1089 HydrophobicContact CB-CD1 4.31Å; L1085-L1089 WeakPolarHBondContact O-CB 3.22Å; L1085-L1089 VanDerWaalsContact O-CG 3.31Å; L1085-L1089 WeakPolarHBondContact O-CG 3.16Å; L1085-L1089 PolarHBondContact O-N 3.2Å; V1087-L1089 VanDerWaalsContact C-N 3.33Å; V1087-L1089 PolarHBondContact O-N 3.35Å; L1089-A1093 VanDerWaalsContact O-CB 3.3Å; L1089-A1093 WeakPolarHBondContact O-CB 3.1Å; L1089-A1093 PolarHBondContact O-N 2.94Å |
| 1090 | V | 85.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | 178.6 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | A1074 A1086 V1087 A1093 K1094 V1103 V1106 L1110 | A1074-V1090 HydrophobicContact CB-CG2 3.77Å; A1086-V1090 WeakPolarHBondContact O-CB 3.4Å; A1086-V1090 VanDerWaalsContact O-CG2 3.29Å; A1086-V1090 WeakPolarHBondContact O-CG2 3.44Å; A1086-V1090 PolarHBondContact O-N 2.89Å; V1087-V1090 PolarHBondContact O-N 2.85Å; V1087-V1090 VanDerWaalsContact O-N 3.13Å; V1090-A1093 PolarHBondContact O-N 3.29Å; V1090-K1094 VanDerWaalsContact O-CG 3.31Å; V1090-K1094 WeakPolarHBondContact O-CG 3.41Å; V1090-K1094 PolarHBondContact O-N 2.97Å; V1090-V1103 HydrophobicContact CG1-CG1 4.12Å; V1090-V1106 HydrophobicContact CG2-CB 4.33Å; V1090-V1106 HydrophobicContact CG2-CG1 3.77Å; V1090-L1110 HydrophobicContact CB-CD1 4.06Å; V1090-L1110 HydrophobicContact CG1-CD1 4.48Å; V1090-L1110 HydrophobicContact CG2-CD1 3.66Å |
| 1091 | E | 87.4 | Confident | 82 | Confident | 117 Ų | 117 | 61 Ų | 61 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 173.8 | -73.9 | -170.5 | 168.3 | 0 | 0 | 111.9 | V1087 N1088 A1093 K1094 A1095 | V1087-E1091 HydrophobicContact CG1-CG 4.29Å; V1087-E1091 WeakPolarHBondContact O-CG 3.38Å; V1087-E1091 PolarHBondContact O-N 3.38Å; N1088-E1091 PolarHBondContact O-N 3.17Å; E1091-A1093 VanDerWaalsContact C-N 3.34Å; E1091-A1093 PolarHBondContact O-N 3Å; E1091-K1094 PolarHBondContact O-N 3.38Å; E1091-A1095 PolarHBondContact O-N 3.36Å |
| 1092 | Q | 88.5 | Confident | 81.9 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 171.3 | -73.6 | 176.2 | 4.6 | 0 | 0 | 111.1 | M1070 N1088 K1094 A1095 I1096 | M1070-Q1092 HydrophobicContact CE-CB 4.2Å; M1070-Q1092 HydrophobicContact SD-CB 4.33Å; N1088-Q1092 WeakPolarHBondContact O-CB 3.3Å; N1088-Q1092 VanDerWaalsContact O-CG 3.26Å; N1088-Q1092 WeakPolarHBondContact O-CG 3.38Å; N1088-Q1092 PolarHBondContact O-N 2.92Å; Q1092-K1094 VanDerWaalsContact C-N 3.33Å; Q1092-K1094 PolarHBondContact O-N 2.91Å; Q1092-A1095 WeakPolarHBondContact O-CB 3.17Å; Q1092-A1095 PolarHBondContact O-N 3.2Å; Q1092-I1096 WeakPolarHBondContact O-CD1 3.46Å; Q1092-I1096 VanDerWaalsContact O-CG1 3.25Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.47Å; Q1092-I1096 PolarHBondContact O-N 3.34Å |
| 1093 | A | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1067 M1070 L1089 V1090 E1091 I1096 N1097 V1103 | T1067-A1093 HydrophobicContact CG2-CB 4.05Å; M1070-A1093 HydrophobicContact CB-CB 4.04Å; M1070-A1093 HydrophobicContact SD-CB 3.87Å; L1089-A1093 VanDerWaalsContact O-CB 3.3Å; L1089-A1093 WeakPolarHBondContact O-CB 3.1Å; L1089-A1093 PolarHBondContact O-N 2.94Å; V1090-A1093 PolarHBondContact O-N 3.29Å; E1091-A1093 VanDerWaalsContact C-N 3.34Å; E1091-A1093 PolarHBondContact O-N 3Å; A1093-I1096 PolarHBondContact O-N 2.99Å; A1093-N1097 CarbonylContact O-C 3.56Å; A1093-N1097 PolarHBondContact O-N 3.33Å; A1093-V1103 HydrophobicContact CB-CB 4.45Å; A1093-V1103 HydrophobicContact CB-CG1 3.88Å; A1093-V1103 HydrophobicContact CB-CG2 3.66Å |
| 1094 | K | 83.2 | Confident | 82.2 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 19% | 0.191 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 173.1 | -76.6 | 177.8 | 179.9 | 177.3 | 0 | 111.2 | V1090 E1091 Q1092 I1096 V1103 W1104 S1107 H1133 | V1090-K1094 VanDerWaalsContact O-CG 3.31Å; V1090-K1094 WeakPolarHBondContact O-CG 3.41Å; V1090-K1094 PolarHBondContact O-N 2.97Å; E1091-K1094 PolarHBondContact O-N 3.38Å; Q1092-K1094 VanDerWaalsContact C-N 3.33Å; Q1092-K1094 PolarHBondContact O-N 2.91Å; K1094-I1096 VanDerWaalsContact C-N 3.32Å; K1094-V1103 HydrophobicContact CB-CG1 4.21Å; K1094-V1103 HydrophobicContact CG-CG1 3.4Å; K1094-W1104 HydrophobicContact CD-CE3 4.35Å; K1094-W1104 HydrophobicContact CD-CH2 4.06Å; K1094-W1104 HydrophobicContact CD-CZ3 3.9Å; K1094-W1104 HydrophobicContact CG-CH2 4.35Å; K1094-W1104 HydrophobicContact CG-CZ2 4.44Å; K1094-W1104 HydrophobicContact CG-CZ3 4.45Å; K1094-S1107 WeakPolarHBondContact CE-OG 3.47Å; K1094-S1107 PolarHBondContact NZ-OG 2.94Å; K1094-H1133 PolarHBondContact NZ-CE1 3Å; K1094-H1133 PolarHBondContact NZ-NE2 3.11Å |
| 1095 | A | 84.1 | Confident | 81.8 | Confident | 87 Ų | 87 | 51.6 Ų | 51.6 | 72% | 0.719 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.6 | -36.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E1091 Q1092 | E1091-A1095 PolarHBondContact O-N 3.36Å; Q1092-A1095 WeakPolarHBondContact O-CB 3.17Å; Q1092-A1095 PolarHBondContact O-N 3.2Å |
| 1096 | I | 84.1 | Confident | 81.6 | Confident | 69 Ų | 69 | 47.4 Ų | 47.4 | 35% | 0.354 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -84.7 | -46.8 | -175.2 | -62.7 | 158.8 | 0 | 0 | 0 | 112.6 | D1065 T1067 M1070 Q1092 A1093 K1094 | D1065-I1096 HydrophobicContact CB-CG2 3.85Å; T1067-I1096 HydrophobicContact CG2-CB 3.87Å; T1067-I1096 HydrophobicContact CG2-CG2 3.89Å; M1070-I1096 HydrophobicContact CE-CD1 3.69Å; M1070-I1096 HydrophobicContact SD-CD1 3.96Å; Q1092-I1096 WeakPolarHBondContact O-CD1 3.46Å; Q1092-I1096 VanDerWaalsContact O-CG1 3.25Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.47Å; Q1092-I1096 PolarHBondContact O-N 3.34Å; A1093-I1096 PolarHBondContact O-N 2.99Å; K1094-I1096 VanDerWaalsContact C-N 3.32Å |
| 1097 | N | 78.3 | Confident | 81.5 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | trans | -138.6 | 87.4 | 179.1 | -170.3 | -4.9 | 0 | 0 | 0 | 111.4 | T1067 A1093 D1099 N1100 | T1067-N1097 HydrophobicContact CG2-CB 3.53Å; A1093-N1097 CarbonylContact O-C 3.56Å; A1093-N1097 PolarHBondContact O-N 3.33Å; N1097-D1099 PolarHBondContact O-N 3.35Å; N1097-D1099 WeakPolarHBondContact OD1-CB 3.43Å; N1097-D1099 PolarHBondContact OD1-N 3.18Å; N1097-D1099 VanDerWaalsContact OD1-N 3.08Å; N1097-N1100 HydrophobicContact CB-CB 4.35Å; N1097-N1100 PolarHBondContact O-N 3.4Å; N1097-N1100 PolarHBondContact OD1-N 3.34Å | ||
| 1098 | P | 77.9 | Confident | 81 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15 | 177 | 29.1 | -35.5 | 0 | 0 | 0 | 112.8 | N1100 W1104 T1140 | P1098-N1100 VanDerWaalsContact C-N 3.28Å; P1098-N1100 PolarHBondContact O-N 3.27Å; P1098-W1104 PolarHBondContact O-NE1 2.66Å; P1098-T1140 WeakPolarHBondContact O-CG2 3.46Å |
| 1099 | D | 73.8 | Confident | 80.4 | Confident | 116 Ų | 116 | 44.4 Ų | 44.4 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.2 | 177.9 | -63.2 | -25.9 | 0 | 0 | 0 | 112.7 | N1097 F1101 T1140 | N1097-D1099 PolarHBondContact O-N 3.35Å; N1097-D1099 WeakPolarHBondContact OD1-CB 3.43Å; N1097-D1099 PolarHBondContact OD1-N 3.18Å; N1097-D1099 VanDerWaalsContact OD1-N 3.08Å; D1099-F1101 PolarHBondContact O-N 3.45Å; D1099-T1140 WeakPolarHBondContact O-CB 3.42Å |
| 1100 | N | 75.1 | Confident | 79.9 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | trans | -81.5 | 101.7 | 176.4 | -173.3 | -9.9 | 0 | 0 | 0 | 110.6 | T1067 N1097 P1098 R1102 V1103 | T1067-N1100 PolarHBondContact OG1-ND2 3.19Å; N1097-N1100 HydrophobicContact CB-CB 4.35Å; N1097-N1100 PolarHBondContact O-N 3.4Å; N1097-N1100 PolarHBondContact OD1-N 3.34Å; P1098-N1100 VanDerWaalsContact C-N 3.28Å; P1098-N1100 PolarHBondContact O-N 3.27Å; N1100-R1102 PolarHBondContact O-N 3.03Å; N1100-R1102 VanDerWaalsContact O-N 3.07Å; N1100-R1102 WeakPolarHBondContact OD1-CB 3.4Å; N1100-R1102 PolarHBondContact OD1-N 3.46Å; N1100-R1102 VanDerWaalsContact OD1-N 3.09Å; N1100-V1103 HydrophobicContact CB-CB 4.48Å; N1100-V1103 HydrophobicContact CB-CG2 3.73Å; N1100-V1103 VanDerWaalsContact O-CB 3.29Å; N1100-V1103 WeakPolarHBondContact O-CB 3.46Å; N1100-V1103 PolarHBondContact O-N 3.13Å | ||
| 1101 | F | 74 | Confident | 79.4 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.2 | -30.2 | 179.3 | 81.8 | -91.1 | 0 | 0 | 0 | 114.2 | D1099 V1103 W1104 L1105 A1137 T1140 N1143 V1146 | D1099-F1101 PolarHBondContact O-N 3.45Å; F1101-V1103 VanDerWaalsContact C-N 3.26Å; F1101-V1103 PolarHBondContact O-N 3.08Å; F1101-W1104 PolarHBondContact O-N 3.21Å; F1101-L1105 WeakPolarHBondContact O-CB 3.36Å; F1101-L1105 PolarHBondContact O-N 2.91Å; F1101-A1137 WeakPolarHBondContact CB-O 3.46Å; F1101-T1140 WeakPolarHBondContact CA-OG1 3.3Å; F1101-T1140 VanDerWaalsContact CB-OG1 3.3Å; F1101-T1140 WeakPolarHBondContact CB-OG1 3.41Å; F1101-N1143 HydrophobicContact CD2-CB 4.39Å; F1101-N1143 HydrophobicContact CE2-CB 3.6Å; F1101-N1143 HydrophobicContact CZ-CB 3.97Å; F1101-V1146 HydrophobicContact CD2-CG2 3.88Å; F1101-V1146 HydrophobicContact CE2-CG2 4.39Å |
| 1102 | R | 72.8 | Confident | 78.5 | Confident | 108 Ų | 108 | 39.5 Ų | 39.5 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 179.9 | -60 | -173.8 | 176.2 | -177.9 | -0.4 | 110.7 | V1071 N1100 L1105 V1106 | V1071-R1102 HydrophobicContact CG1-CB 3.9Å; V1071-R1102 HydrophobicContact CG2-CB 4.48Å; N1100-R1102 PolarHBondContact O-N 3.03Å; N1100-R1102 VanDerWaalsContact O-N 3.07Å; N1100-R1102 WeakPolarHBondContact OD1-CB 3.4Å; N1100-R1102 PolarHBondContact OD1-N 3.46Å; N1100-R1102 VanDerWaalsContact OD1-N 3.09Å; R1102-L1105 PolarHBondContact O-N 3.16Å; R1102-V1106 WeakPolarHBondContact O-CG2 3.37Å; R1102-V1106 PolarHBondContact O-N 2.97Å |
| 1103 | V | 83.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | V1071 V1090 A1093 K1094 N1100 F1101 S1107 | V1071-V1103 HydrophobicContact CG2-CB 4.1Å; V1071-V1103 HydrophobicContact CG2-CG2 3.42Å; V1071-V1103 VanDerWaalsContact CG2-CG2 3.42Å; V1090-V1103 HydrophobicContact CG1-CG1 4.12Å; A1093-V1103 HydrophobicContact CB-CB 4.45Å; A1093-V1103 HydrophobicContact CB-CG1 3.88Å; A1093-V1103 HydrophobicContact CB-CG2 3.66Å; K1094-V1103 HydrophobicContact CB-CG1 4.21Å; K1094-V1103 HydrophobicContact CG-CG1 3.4Å; N1100-V1103 HydrophobicContact CB-CB 4.48Å; N1100-V1103 HydrophobicContact CB-CG2 3.73Å; N1100-V1103 VanDerWaalsContact O-CB 3.29Å; N1100-V1103 WeakPolarHBondContact O-CB 3.46Å; N1100-V1103 PolarHBondContact O-N 3.13Å; F1101-V1103 VanDerWaalsContact C-N 3.26Å; F1101-V1103 PolarHBondContact O-N 3.08Å; V1103-S1107 WeakPolarHBondContact O-CB 3.47Å; V1103-S1107 PolarHBondContact O-N 2.94Å |
| 1104 | W | 82 | Confident | 76.7 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | 179.6 | -68.2 | 108.3 | 0 | 0 | 0 | 112.9 | K1094 P1098 F1101 S1107 A1108 H1133 H1136 A1137 | K1094-W1104 HydrophobicContact CD-CE3 4.35Å; K1094-W1104 HydrophobicContact CD-CH2 4.06Å; K1094-W1104 HydrophobicContact CD-CZ3 3.9Å; K1094-W1104 HydrophobicContact CG-CH2 4.35Å; K1094-W1104 HydrophobicContact CG-CZ2 4.44Å; K1094-W1104 HydrophobicContact CG-CZ3 4.45Å; P1098-W1104 PolarHBondContact O-NE1 2.66Å; F1101-W1104 PolarHBondContact O-N 3.21Å; W1104-S1107 WeakPolarHBondContact CA-OG 3.3Å; W1104-S1107 PolarHBondContact O-N 3.25Å; W1104-S1107 PolarHBondContact O-OG 3.14Å; W1104-A1108 WeakPolarHBondContact O-CB 3.34Å; W1104-A1108 PolarHBondContact O-N 3.04Å; W1104-H1133 HydrophobicContact CE3-CB 4.34Å; W1104-H1133 AromaticContact CE3-ND1 3.44Å; W1104-H1133 AromaticContact CZ3-CE1 3.71Å; W1104-H1133 AromaticContact CZ3-ND1 3.36Å; W1104-H1133 WeakPolarHBondContact CZ3-ND1 3.2Å; W1104-H1136 HydrophobicContact CD2-CB 3.88Å; W1104-H1136 HydrophobicContact CE3-CB 4.2Å; W1104-H1136 HydrophobicContact CG-CB 4.05Å; W1104-A1137 HydrophobicContact CB-CB 3.66Å |
| 1105 | L | 74.9 | Confident | 75.7 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 176.1 | -177.9 | 138.6 | 0 | 0 | 0 | 111.7 | F1101 R1102 S1107 A1108 Q1109 A1137 Q1145 V1146 | F1101-L1105 WeakPolarHBondContact O-CB 3.36Å; F1101-L1105 PolarHBondContact O-N 2.91Å; R1102-L1105 PolarHBondContact O-N 3.16Å; L1105-S1107 VanDerWaalsContact C-N 3.27Å; L1105-S1107 PolarHBondContact O-N 3.4Å; L1105-A1108 PolarHBondContact O-N 3.17Å; L1105-Q1109 WeakPolarHBondContact O-CG 3.49Å; L1105-Q1109 PolarHBondContact O-N 3.16Å; L1105-A1137 HydrophobicContact CB-CB 4.49Å; L1105-Q1145 HydrophobicContact CD1-CB 3.71Å; L1105-V1146 HydrophobicContact CB-CG2 4.48Å; L1105-V1146 HydrophobicContact CD1-CB 4.25Å; L1105-V1146 HydrophobicContact CD1-CG2 3.43Å; L1105-V1146 VanDerWaalsContact CD1-CG2 3.43Å |
| 1106 | V | 78.5 | Confident | 74 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -33.7 | 175.2 | 178 | 0 | 0 | 0 | 0 | 110.7 | V1071 A1074 M1075 V1090 R1102 A1108 Q1109 L1110 | V1071-V1106 HydrophobicContact CG1-CB 4.22Å; V1071-V1106 HydrophobicContact CG1-CG2 3.48Å; V1071-V1106 VanDerWaalsContact CG1-CG2 3.48Å; A1074-V1106 HydrophobicContact CB-CG1 4.44Å; M1075-V1106 HydrophobicContact CG-CG1 4.23Å; M1075-V1106 HydrophobicContact CG-CG2 3.62Å; M1075-V1106 HydrophobicContact SD-CB 4.27Å; M1075-V1106 HydrophobicContact SD-CG1 3.87Å; M1075-V1106 HydrophobicContact SD-CG2 3.46Å; M1075-V1106 WeakPolarHBondContact SD-CG2 3.23Å; V1090-V1106 HydrophobicContact CG2-CB 4.33Å; V1090-V1106 HydrophobicContact CG2-CG1 3.77Å; R1102-V1106 WeakPolarHBondContact O-CG2 3.37Å; R1102-V1106 PolarHBondContact O-N 2.97Å; V1106-A1108 PolarHBondContact O-N 3.42Å; V1106-Q1109 PolarHBondContact O-N 2.98Å; V1106-L1110 HydrophobicContact CG1-CD1 4.07Å; V1106-L1110 HydrophobicContact CG1-CG 4.34Å; V1106-L1110 WeakPolarHBondContact O-CB 3.48Å; V1106-L1110 WeakPolarHBondContact O-CG 3.5Å; V1106-L1110 PolarHBondContact O-N 3.32Å |
| 1107 | S | 82.9 | Confident | 71.8 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | 172.6 | 84.6 | 0 | 0 | 0 | 0 | 113.2 | K1094 V1103 W1104 L1105 Q1109 L1110 T1111 H1133 | K1094-S1107 WeakPolarHBondContact CE-OG 3.47Å; K1094-S1107 PolarHBondContact NZ-OG 2.94Å; V1103-S1107 WeakPolarHBondContact O-CB 3.47Å; V1103-S1107 PolarHBondContact O-N 2.94Å; W1104-S1107 WeakPolarHBondContact CA-OG 3.3Å; W1104-S1107 PolarHBondContact O-N 3.25Å; W1104-S1107 PolarHBondContact O-OG 3.14Å; L1105-S1107 VanDerWaalsContact C-N 3.27Å; L1105-S1107 PolarHBondContact O-N 3.4Å; S1107-Q1109 VanDerWaalsContact C-N 3.32Å; S1107-L1110 PolarHBondContact O-N 3.35Å; S1107-T1111 WeakPolarHBondContact O-CB 3.07Å; S1107-T1111 WeakPolarHBondContact O-CG2 3.48Å; S1107-T1111 PolarHBondContact O-N 3.46Å; S1107-T1111 PolarHBondContact O-OG1 3.31Å; S1107-H1133 PolarHBondContact OG-CD2 3.26Å |
| 1108 | A | 75.1 | Confident | 69.5 | Low | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1104 L1105 V1106 T1111 A1112 V1130 H1133 L1134 | W1104-A1108 WeakPolarHBondContact O-CB 3.34Å; W1104-A1108 PolarHBondContact O-N 3.04Å; L1105-A1108 PolarHBondContact O-N 3.17Å; V1106-A1108 PolarHBondContact O-N 3.42Å; A1108-T1111 WeakPolarHBondContact CA-OG1 3.31Å; A1108-T1111 PolarHBondContact O-OG1 3.41Å; A1108-A1112 WeakPolarHBondContact O-CB 3.46Å; A1108-A1112 PolarHBondContact O-N 3.49Å; A1108-V1130 HydrophobicContact CB-CG1 4.49Å; A1108-H1133 HydrophobicContact CB-CB 3.83Å; A1108-L1134 HydrophobicContact CB-CD2 3.76Å; A1108-L1134 HydrophobicContact CB-CG 3.84Å |
| 1109 | Q | 74.8 | Confident | 67.3 | Low | 42 Ų | 42 | 45.5 Ų | 45.5 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -46.5 | 173.9 | -70.2 | 178.5 | -6.4 | 0 | 0 | 111.5 | M1075 M1078 L1105 V1106 S1107 A1112 V1113 | M1075-Q1109 PolarHBondContact SD-OE1 2.81Å; M1078-Q1109 HydrophobicContact CE-CB 4.46Å; M1078-Q1109 HydrophobicContact SD-CB 4.49Å; L1105-Q1109 WeakPolarHBondContact O-CG 3.49Å; L1105-Q1109 PolarHBondContact O-N 3.16Å; V1106-Q1109 PolarHBondContact O-N 2.98Å; S1107-Q1109 VanDerWaalsContact C-N 3.32Å; Q1109-A1112 PolarHBondContact O-N 2.86Å; Q1109-V1113 WeakPolarHBondContact O-CB 3.48Å; Q1109-V1113 VanDerWaalsContact O-CG2 3.24Å; Q1109-V1113 WeakPolarHBondContact O-CG2 3.49Å; Q1109-V1113 PolarHBondContact O-N 2.72Å |
| 1110 | L | 75.8 | Confident | 65.4 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.2 | -75.9 | 169.5 | 0 | 0 | 0 | 111.7 | M1078 A1086 V1087 V1090 V1106 S1107 A1112 V1113 M1114 | M1078-L1110 HydrophobicContact CB-CD2 4.43Å; M1078-L1110 HydrophobicContact CG-CD2 4.02Å; M1078-L1110 HydrophobicContact SD-CD2 3.68Å; M1078-L1110 HydrophobicContact SD-CG 4.08Å; A1086-L1110 HydrophobicContact CB-CD1 4.14Å; A1086-L1110 HydrophobicContact CB-CD2 3.82Å; V1087-L1110 HydrophobicContact CG2-CD1 4.31Å; V1087-L1110 HydrophobicContact CG2-CD2 4.47Å; V1090-L1110 HydrophobicContact CB-CD1 4.06Å; V1090-L1110 HydrophobicContact CG1-CD1 4.48Å; V1090-L1110 HydrophobicContact CG2-CD1 3.66Å; V1106-L1110 HydrophobicContact CG1-CD1 4.07Å; V1106-L1110 HydrophobicContact CG1-CG 4.34Å; V1106-L1110 WeakPolarHBondContact O-CB 3.48Å; V1106-L1110 WeakPolarHBondContact O-CG 3.5Å; V1106-L1110 PolarHBondContact O-N 3.32Å; S1107-L1110 PolarHBondContact O-N 3.35Å; L1110-A1112 VanDerWaalsContact C-N 3.34Å; L1110-A1112 PolarHBondContact O-N 3.47Å; L1110-V1113 PolarHBondContact O-N 3.16Å; L1110-M1114 WeakPolarHBondContact O-CB 3.44Å; L1110-M1114 VanDerWaalsContact O-CG 3.26Å; L1110-M1114 WeakPolarHBondContact O-CG 3.42Å; L1110-M1114 PolarHBondContact O-N 3.26Å |
| 1111 | T | 75.9 | Confident | 63 | Low | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 176.6 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | S1107 A1108 M1114 S1115 V1130 | S1107-T1111 WeakPolarHBondContact O-CB 3.07Å; S1107-T1111 WeakPolarHBondContact O-CG2 3.48Å; S1107-T1111 PolarHBondContact O-N 3.46Å; S1107-T1111 PolarHBondContact O-OG1 3.31Å; A1108-T1111 WeakPolarHBondContact CA-OG1 3.31Å; A1108-T1111 PolarHBondContact O-OG1 3.41Å; T1111-M1114 HydrophobicContact CG2-CE 4.19Å; T1111-M1114 PolarHBondContact O-N 3.06Å; T1111-S1115 VanDerWaalsContact O-CB 3.26Å; T1111-S1115 WeakPolarHBondContact O-CB 3.27Å; T1111-S1115 PolarHBondContact O-N 3.13Å; T1111-S1115 PolarHBondContact O-OG 2.85Å; T1111-V1130 WeakPolarHBondContact OG1-CG2 3.13Å |
| 1112 | A | 67.1 | Low | 60.8 | Low | 24 Ų | 24 | 55.5 Ų | 55.5 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1108 Q1109 L1110 S1115 T1117 V1130 | A1108-A1112 WeakPolarHBondContact O-CB 3.46Å; A1108-A1112 PolarHBondContact O-N 3.49Å; Q1109-A1112 PolarHBondContact O-N 2.86Å; L1110-A1112 VanDerWaalsContact C-N 3.34Å; L1110-A1112 PolarHBondContact O-N 3.47Å; A1112-S1115 PolarHBondContact O-OG 3.02Å; A1112-T1117 PolarHBondContact O-OG1 3.39Å; A1112-V1130 HydrophobicContact CB-CG2 4.35Å |
| 1113 | V | 68.3 | Low | 58.7 | Low | 87 Ų | 87 | 53.9 Ų | 53.9 | 53% | 0.527 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | Q1109 L1110 | Q1109-V1113 WeakPolarHBondContact O-CB 3.48Å; Q1109-V1113 VanDerWaalsContact O-CG2 3.24Å; Q1109-V1113 WeakPolarHBondContact O-CG2 3.49Å; Q1109-V1113 PolarHBondContact O-N 2.72Å; L1110-V1113 PolarHBondContact O-N 3.16Å |
| 1114 | M | 68.7 | Low | 56.2 | Low | 105 Ų | 105 | 58.6 Ų | 58.6 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74 | -36.1 | -179.9 | -71.7 | -170 | -58.7 | 0 | 0 | 113.7 | V1087 L1110 T1111 G1116 | V1087-M1114 HydrophobicContact CG2-CE 3.95Å; V1087-M1114 HydrophobicContact CG2-SD 3.59Å; V1087-M1114 VanDerWaalsContact CG2-SD 3.59Å; L1110-M1114 WeakPolarHBondContact O-CB 3.44Å; L1110-M1114 VanDerWaalsContact O-CG 3.26Å; L1110-M1114 WeakPolarHBondContact O-CG 3.42Å; L1110-M1114 PolarHBondContact O-N 3.26Å; T1111-M1114 HydrophobicContact CG2-CE 4.19Å; T1111-M1114 PolarHBondContact O-N 3.06Å; M1114-G1116 PolarHBondContact O-N 3.15Å |
| 1115 | S | 62.3 | Low | 54.1 | Low | 50 Ų | 50 | 64.4 Ų | 64.4 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 1.3 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 113 | T1111 A1112 T1117 | T1111-S1115 VanDerWaalsContact O-CB 3.26Å; T1111-S1115 WeakPolarHBondContact O-CB 3.27Å; T1111-S1115 PolarHBondContact O-N 3.13Å; T1111-S1115 PolarHBondContact O-OG 2.85Å; A1112-S1115 PolarHBondContact O-OG 3.02Å; S1115-T1117 PolarHBondContact O-N 3.46Å; S1115-T1117 VanDerWaalsContact O-N 3.09Å |
| 1116 | G | 48.9 | Very low | 52.8 | Low | 53 Ų | 53 | 66.9 Ų | 66.9 | 55% | 0.546 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 23.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1114 P1118 | M1114-G1116 PolarHBondContact O-N 3.15Å; G1116-P1118 WeakPolarHBondContact O-CD 3.4Å |
| 1117 | T | 37.6 | Very low | 51.6 | Low | 54 Ų | 54 | 68.7 Ų | 68.7 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | trans | -74.7 | 101.7 | 175.4 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | A1112 S1115 L1124 | A1112-T1117 PolarHBondContact O-OG1 3.39Å; S1115-T1117 PolarHBondContact O-N 3.46Å; S1115-T1117 VanDerWaalsContact O-N 3.09Å; T1117-L1124 HydrophobicContact CG2-CD1 3.84Å; T1117-L1124 HydrophobicContact CG2-CD2 3.2Å; T1117-L1124 HydrophobicContact CG2-CG 4.14Å | ||
| 1118 | P | 30.4 | Very low | 50.4 | Low | 95 Ų | 95 | 73.3 Ų | 73.3 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | trans | -78.9 | 150.9 | 166.3 | 7.9 | 16.9 | 0 | 0 | 0 | 106 | G1116 I1120 | G1116-P1118 WeakPolarHBondContact O-CD 3.4Å; P1118-I1120 PolarHBondContact O-N 3.44Å | ||
| 1119 | S | 32.3 | Very low | 50 | Low | 110 Ų | 110 | 78.5 Ų | 78.5 | 77% | 0.769 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 12.2 | 98.1 | 152.7 | 56 | 0 | 0 | 0 | 0 | 116.8 | G1121 | S1119-G1121 PolarHBondContact O-N 3.41Š|
| 1120 | I | 32.8 | Very low | 49.7 | Very low | 185 Ų | 185 | 76.9 Ų | 76.9 | 95% | 0.949 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 18.8 | 73.2 | 158.2 | -48.8 | 172.1 | 0 | 0 | 0 | 113.6 | P1118 | P1118-I1120 PolarHBondContact O-N 3.44Š|
| 1121 | G | 25.9 | Very low | 49.1 | Very low | 46 Ų | 46 | 78.1 Ų | 78.1 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | trans | -112.6 | 155.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1119 | S1119-G1121 PolarHBondContact O-N 3.41Š| ||
| 1122 | P | 26.3 | Very low | 48.9 | Very low | 137 Ų | 137 | 79.7 Ų | 79.7 | 89% | 0.89 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 118 | -165.9 | 33.4 | -31.1 | 0 | 0 | 0 | 111.6 | ||
| 1123 | G | 30 | Very low | 49.3 | Very low | 75 Ų | 75 | 79.7 Ų | 79.7 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.7 | 10.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1125 | G1123-L1125 PolarHBondContact O-N 3.48Š|
| 1124 | L | 30.5 | Very low | 49.5 | Very low | 98 Ų | 98 | 75.6 Ų | 75.6 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | trans | -91.4 | 107.3 | -169.8 | -135.7 | 119 | 0 | 0 | 0 | 112.6 | T1117 V1126 | T1117-L1124 HydrophobicContact CG2-CD1 3.84Å; T1117-L1124 HydrophobicContact CG2-CD2 3.2Å; T1117-L1124 HydrophobicContact CG2-CG 4.14Å; L1124-V1126 PolarHBondContact O-N 3.5Å | ||
| 1125 | L | 37.6 | Very low | 49.5 | Very low | 160 Ų | 160 | 72.7 Ų | 72.7 | 84% | 0.838 | 46% | 0.458 | S | S | * | . | trans | -35.1 | 120.2 | 155.2 | -79.8 | 132.4 | 0 | 0 | 0 | 109.7 | G1123 N1127 | G1123-L1125 PolarHBondContact O-N 3.48Å; L1125-N1127 PolarHBondContact O-N 3.27Å | ||
| 1126 | V | 47.6 | Very low | 50.1 | Low | 60 Ų | 60 | 74.2 Ų | 74.2 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | trans | -39.6 | 115.6 | 171.2 | 179.4 | 0 | 0 | 0 | 0 | 109 | L1124 T1128 I1157 | L1124-V1126 PolarHBondContact O-N 3.5Å; V1126-T1128 HydrophobicContact CB-CG2 4.35Å; V1126-T1128 HydrophobicContact CG1-CG2 3.84Å; V1126-T1128 PolarHBondContact O-N 3.02Å; V1126-I1157 HydrophobicContact CG1-CD1 4.3Å; V1126-I1157 HydrophobicContact CG2-CG1 4.49Å | ||
| 1127 | N | 53.9 | Low | 51.2 | Low | 41 Ų | 41 | 71.7 Ų | 71.7 | 22% | 0.219 | 43% | 0.434 | C | S | . | . | trans | -72.2 | 89 | 162.3 | -168 | -9.5 | 0 | 0 | 0 | 106.5 | L1125 E1129 V1130 L1131 | L1125-N1127 PolarHBondContact O-N 3.27Å; N1127-E1129 PolarHBondContact O-N 3.16Å; N1127-E1129 WeakPolarHBondContact OD1-CB 3.46Å; N1127-E1129 WeakPolarHBondContact OD1-CG 3.42Å; N1127-E1129 PolarHBondContact OD1-N 2.92Å; N1127-E1129 VanDerWaalsContact OD1-N 3.08Å; N1127-V1130 HydrophobicContact CB-CG2 4.01Å; N1127-V1130 PolarHBondContact O-N 3.31Å; N1127-L1131 PolarHBondContact O-N 3.11Å | ||
| 1128 | T | 57 | Low | 52.6 | Low | 99 Ų | 99 | 69.2 Ų | 69.2 | 61% | 0.607 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -55 | -22.5 | 178.6 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | V1126 S1132 | V1126-T1128 HydrophobicContact CB-CG2 4.35Å; V1126-T1128 HydrophobicContact CG1-CG2 3.84Å; V1126-T1128 PolarHBondContact O-N 3.02Å; T1128-S1132 WeakPolarHBondContact O-CB 3.33Å; T1128-S1132 PolarHBondContact O-N 2.62Å |
| 1129 | E | 66.7 | Low | 54.4 | Low | 111 Ų | 111 | 73.8 Ų | 73.8 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.3 | -41.5 | 176.7 | -54.3 | 178.4 | 163.2 | 0 | 0 | 112.5 | N1127 S1132 H1133 | N1127-E1129 PolarHBondContact O-N 3.16Å; N1127-E1129 WeakPolarHBondContact OD1-CB 3.46Å; N1127-E1129 WeakPolarHBondContact OD1-CG 3.42Å; N1127-E1129 PolarHBondContact OD1-N 2.92Å; N1127-E1129 VanDerWaalsContact OD1-N 3.08Å; E1129-S1132 PolarHBondContact O-N 2.97Å; E1129-H1133 WeakPolarHBondContact O-CB 2.82Å; E1129-H1133 PolarHBondContact O-CD2 2.94Å; E1129-H1133 PolarHBondContact O-N 2.96Å |
| 1130 | V | 68.2 | Low | 56.1 | Low | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.048 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | A1108 T1111 A1112 N1127 S1132 H1133 L1134 | A1108-V1130 HydrophobicContact CB-CG1 4.49Å; T1111-V1130 WeakPolarHBondContact OG1-CG2 3.13Å; A1112-V1130 HydrophobicContact CB-CG2 4.35Å; N1127-V1130 HydrophobicContact CB-CG2 4.01Å; N1127-V1130 PolarHBondContact O-N 3.31Å; V1130-S1132 VanDerWaalsContact C-N 3.34Å; V1130-S1132 PolarHBondContact O-N 3.16Å; V1130-H1133 PolarHBondContact O-N 3.47Å; V1130-L1134 HydrophobicContact CG1-CD1 4.05Å; V1130-L1134 HydrophobicContact CG1-CG 4.48Å; V1130-L1134 WeakPolarHBondContact O-CB 3.37Å; V1130-L1134 WeakPolarHBondContact O-CG 3.48Å; V1130-L1134 PolarHBondContact O-N 2.71Å |
| 1131 | L | 64.1 | Low | 57.4 | Low | 29 Ų | 29 | 61.2 Ų | 61.2 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177 | -163.8 | 86.7 | 0 | 0 | 0 | 110.9 | N1127 L1134 I1135 H1153 L1154 I1157 | N1127-L1131 PolarHBondContact O-N 3.11Å; L1131-L1134 PolarHBondContact O-N 2.88Å; L1131-I1135 HydrophobicContact CD2-CD1 3.8Å; L1131-I1135 HydrophobicContact CG-CD1 3.81Å; L1131-I1135 HydrophobicContact CG-CG1 4.41Å; L1131-I1135 WeakPolarHBondContact O-CB 3.46Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.28Å; L1131-I1135 PolarHBondContact O-N 2.74Å; L1131-H1153 HydrophobicContact CD1-CB 4.48Å; L1131-L1154 HydrophobicContact CD1-CD2 3.97Å; L1131-L1154 HydrophobicContact CD1-CG 4.18Å; L1131-I1157 HydrophobicContact CD1-CD1 3.58Å; L1131-I1157 HydrophobicContact CD2-CD1 4.22Å; L1131-I1157 HydrophobicContact CG-CD1 4.41Å |
| 1132 | S | 69.7 | Low | 58.9 | Low | 46 Ų | 46 | 59.2 Ų | 59.2 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.1 | -50 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | T1128 E1129 V1130 L1134 I1135 H1136 | T1128-S1132 WeakPolarHBondContact O-CB 3.33Å; T1128-S1132 PolarHBondContact O-N 2.62Å; E1129-S1132 PolarHBondContact O-N 2.97Å; V1130-S1132 VanDerWaalsContact C-N 3.34Å; V1130-S1132 PolarHBondContact O-N 3.16Å; S1132-L1134 VanDerWaalsContact C-N 3.35Å; S1132-L1134 PolarHBondContact O-N 2.71Å; S1132-I1135 PolarHBondContact O-N 2.81Å; S1132-H1136 WeakPolarHBondContact O-CB 3.44Å; S1132-H1136 PolarHBondContact O-N 2.96Å; S1132-H1136 PolarHBondContact O-ND1 2.79Å; S1132-H1136 PolarHBondContact OG-CE1 2.63Å; S1132-H1136 PolarHBondContact OG-ND1 2.83Å |
| 1133 | H | 77.1 | Confident | 60.5 | Low | 25 Ų | 25 | 54.4 Ų | 54.4 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 178.3 | -68.1 | -20.1 | 0 | 0 | 0 | 112.2 | K1094 W1104 S1107 A1108 E1129 V1130 H1136 A1137 | K1094-H1133 PolarHBondContact NZ-CE1 3Å; K1094-H1133 PolarHBondContact NZ-NE2 3.11Å; W1104-H1133 HydrophobicContact CE3-CB 4.34Å; W1104-H1133 AromaticContact CE3-ND1 3.44Å; W1104-H1133 AromaticContact CZ3-CE1 3.71Å; W1104-H1133 AromaticContact CZ3-ND1 3.36Å; W1104-H1133 WeakPolarHBondContact CZ3-ND1 3.2Å; S1107-H1133 PolarHBondContact OG-CD2 3.26Å; A1108-H1133 HydrophobicContact CB-CB 3.83Å; E1129-H1133 WeakPolarHBondContact O-CB 2.82Å; E1129-H1133 PolarHBondContact O-CD2 2.94Å; E1129-H1133 PolarHBondContact O-N 2.96Å; V1130-H1133 PolarHBondContact O-N 3.47Å; H1133-H1136 PolarHBondContact O-N 2.76Å; H1133-A1137 WeakPolarHBondContact O-CB 3.49Å; H1133-A1137 PolarHBondContact O-N 2.97Å |
| 1134 | L | 71.1 | Confident | 62.1 | Low | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 175.8 | -70.8 | 173.7 | 0 | 0 | 0 | 112.8 | A1108 V1130 L1131 S1132 A1137 A1138 Q1149 L1150 H1153 | A1108-L1134 HydrophobicContact CB-CD2 3.76Å; A1108-L1134 HydrophobicContact CB-CG 3.84Å; V1130-L1134 HydrophobicContact CG1-CD1 4.05Å; V1130-L1134 HydrophobicContact CG1-CG 4.48Å; V1130-L1134 WeakPolarHBondContact O-CB 3.37Å; V1130-L1134 WeakPolarHBondContact O-CG 3.48Å; V1130-L1134 PolarHBondContact O-N 2.71Å; L1131-L1134 PolarHBondContact O-N 2.88Å; S1132-L1134 VanDerWaalsContact C-N 3.35Å; S1132-L1134 PolarHBondContact O-N 2.71Å; L1134-A1137 PolarHBondContact O-N 2.84Å; L1134-A1138 VanDerWaalsContact O-CB 3.28Å; L1134-A1138 WeakPolarHBondContact O-CB 3.42Å; L1134-A1138 PolarHBondContact O-N 3.33Å; L1134-Q1149 HydrophobicContact CD1-CB 4.19Å; L1134-Q1149 HydrophobicContact CD2-CB 3.67Å; L1134-L1150 HydrophobicContact CB-CD2 3.45Å; L1134-L1150 VanDerWaalsContact CB-CD2 3.45Å; L1134-L1150 HydrophobicContact CB-CG 3.9Å; L1134-H1153 HydrophobicContact CD1-CB 4.26Å; L1134-H1153 VanDerWaalsContact CD1-CD2 3.41Å; L1134-H1153 WeakPolarHBondContact CD1-CD2 3.26Å |
| 1135 | I | 70.3 | Confident | 63.6 | Low | 43 Ų | 43 | 53.4 Ų | 53.4 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 174.5 | -70.1 | 166.4 | 0 | 0 | 0 | 110.2 | L1131 S1132 A1138 Y1139 L1150 S1196 | L1131-I1135 HydrophobicContact CD2-CD1 3.8Å; L1131-I1135 HydrophobicContact CG-CD1 3.81Å; L1131-I1135 HydrophobicContact CG-CG1 4.41Å; L1131-I1135 WeakPolarHBondContact O-CB 3.46Å; L1131-I1135 WeakPolarHBondContact O-CG1 3.28Å; L1131-I1135 PolarHBondContact O-N 2.74Å; S1132-I1135 PolarHBondContact O-N 2.81Å; I1135-A1138 WeakPolarHBondContact O-CB 3.4Å; I1135-A1138 PolarHBondContact O-N 2.98Å; I1135-Y1139 WeakPolarHBondContact O-CB 3.38Å; I1135-Y1139 PolarHBondContact O-N 3.03Å; I1135-L1150 HydrophobicContact CG1-CD2 4.17Å; I1135-S1196 WeakPolarHBondContact CD1-OG 3.48Å |
| 1136 | H | 74.1 | Confident | 65 | Low | 83 Ų | 83 | 45.8 Ų | 45.8 | 38% | 0.384 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.8 | -76.2 | 81.5 | 0 | 0 | 0 | 111.3 | W1104 S1132 H1133 A1138 Y1139 T1140 | W1104-H1136 HydrophobicContact CD2-CB 3.88Å; W1104-H1136 HydrophobicContact CE3-CB 4.2Å; W1104-H1136 HydrophobicContact CG-CB 4.05Å; S1132-H1136 WeakPolarHBondContact O-CB 3.44Å; S1132-H1136 PolarHBondContact O-N 2.96Å; S1132-H1136 PolarHBondContact O-ND1 2.79Å; S1132-H1136 PolarHBondContact OG-CE1 2.63Å; S1132-H1136 PolarHBondContact OG-ND1 2.83Å; H1133-H1136 PolarHBondContact O-N 2.76Å; H1136-A1138 VanDerWaalsContact C-N 3.29Å; H1136-A1138 PolarHBondContact O-N 3.11Å; H1136-Y1139 PolarHBondContact O-N 2.8Å; H1136-T1140 WeakPolarHBondContact O-CB 3.43Å; H1136-T1140 VanDerWaalsContact O-CG2 3.25Å; H1136-T1140 WeakPolarHBondContact O-CG2 3.3Å; H1136-T1140 PolarHBondContact O-N 3.33Å; H1136-T1140 PolarHBondContact O-OG1 3.07Å |
| 1137 | A | 72 | Confident | 65.8 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -44.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1101 W1104 L1105 H1133 L1134 Y1139 T1140 G1141 V1146 | F1101-A1137 WeakPolarHBondContact CB-O 3.46Å; W1104-A1137 HydrophobicContact CB-CB 3.66Å; L1105-A1137 HydrophobicContact CB-CB 4.49Å; H1133-A1137 WeakPolarHBondContact O-CB 3.49Å; H1133-A1137 PolarHBondContact O-N 2.97Å; L1134-A1137 PolarHBondContact O-N 2.84Å; A1137-Y1139 PolarHBondContact O-N 3.46Å; A1137-T1140 WeakPolarHBondContact CA-OG1 3.48Å; A1137-T1140 PolarHBondContact O-N 3.09Å; A1137-T1140 PolarHBondContact O-OG1 3.14Å; A1137-G1141 CarbonylContact O-C 3.18Å; A1137-G1141 PolarHBondContact O-N 3.26Å; A1137-V1146 HydrophobicContact CB-CG1 3.94Å; A1137-V1146 HydrophobicContact CB-CG2 4.09Å |
| 1138 | A | 67.3 | Low | 66.3 | Low | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1134 I1135 H1136 V1146 L1150 V1199 C1203 | L1134-A1138 VanDerWaalsContact O-CB 3.28Å; L1134-A1138 WeakPolarHBondContact O-CB 3.42Å; L1134-A1138 PolarHBondContact O-N 3.33Å; I1135-A1138 WeakPolarHBondContact O-CB 3.4Å; I1135-A1138 PolarHBondContact O-N 2.98Å; H1136-A1138 VanDerWaalsContact C-N 3.29Å; H1136-A1138 PolarHBondContact O-N 3.11Å; A1138-V1146 HydrophobicContact CB-CG1 3.89Å; A1138-L1150 HydrophobicContact CB-CD1 3.4Å; A1138-L1150 VanDerWaalsContact CB-CD1 3.4Å; A1138-V1199 HydrophobicContact CB-CG1 3.72Å; A1138-C1203 WeakPolarHBondContact CB-SG 3.19Å |
| 1139 | Y | 67.7 | Low | 66.8 | Low | 191 Ų | 191 | 41 Ų | 41 | 75% | 0.749 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -65.9 | -44.1 | 175.2 | -178 | -98.2 | 0 | 0 | 0 | 111.3 | I1135 H1136 A1137 | I1135-Y1139 WeakPolarHBondContact O-CB 3.38Å; I1135-Y1139 PolarHBondContact O-N 3.03Å; H1136-Y1139 PolarHBondContact O-N 2.8Å; A1137-Y1139 PolarHBondContact O-N 3.46Å |
| 1140 | T | 67.6 | Low | 66.9 | Low | 29 Ų | 29 | 35.8 Ų | 35.8 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -78.3 | -31.3 | -173.1 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | P1098 D1099 F1101 H1136 A1137 | P1098-T1140 WeakPolarHBondContact O-CG2 3.46Å; D1099-T1140 WeakPolarHBondContact O-CB 3.42Å; F1101-T1140 WeakPolarHBondContact CA-OG1 3.3Å; F1101-T1140 VanDerWaalsContact CB-OG1 3.3Å; F1101-T1140 WeakPolarHBondContact CB-OG1 3.41Å; H1136-T1140 WeakPolarHBondContact O-CB 3.43Å; H1136-T1140 VanDerWaalsContact O-CG2 3.25Å; H1136-T1140 WeakPolarHBondContact O-CG2 3.3Å; H1136-T1140 PolarHBondContact O-N 3.33Å; H1136-T1140 PolarHBondContact O-OG1 3.07Å; A1137-T1140 WeakPolarHBondContact CA-OG1 3.48Å; A1137-T1140 PolarHBondContact O-N 3.09Å; A1137-T1140 PolarHBondContact O-OG1 3.14Å |
| 1141 | G | 61.3 | Low | 66.7 | Low | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -175.1 | 133.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1137 | A1137-G1141 CarbonylContact O-C 3.18Å; A1137-G1141 PolarHBondContact O-N 3.26Å | ||
| 1142 | S | 56.8 | Low | 66.6 | Low | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | trans | -93.8 | 120.1 | -176.9 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | Q769 G770 R1206 | Q769-S1142 PolarHBondContact O-OG 3.18Å; G770-S1142 VanDerWaalsContact CA-OG 3.23Å; G770-S1142 WeakPolarHBondContact CA-OG 3.34Å; S1142-R1206 VanDerWaalsContact CB-CD 3.4Å; S1142-R1206 WeakPolarHBondContact OG-CB 3.21Å; S1142-R1206 WeakPolarHBondContact OG-CD 3.46Å | ||
| 1143 | N | 60.8 | Low | 66.3 | Low | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.193 | 20% | 0.195 | C | C | . | . | trans | -128.3 | 152.4 | 170.7 | -168.8 | -11.4 | 0 | 0 | 0 | 108.1 | F1101 Q1145 V1146 A1147 | F1101-N1143 HydrophobicContact CD2-CB 4.39Å; F1101-N1143 HydrophobicContact CE2-CB 3.6Å; F1101-N1143 HydrophobicContact CZ-CB 3.97Å; N1143-Q1145 PolarHBondContact O-N 3.12Å; N1143-Q1145 VanDerWaalsContact O-N 3.11Å; N1143-V1146 HydrophobicContact CB-CG2 4.28Å; N1143-V1146 PolarHBondContact O-N 3.43Å; N1143-A1147 PolarHBondContact O-N 3.14Å | ||
| 1144 | Y | 62 | Low | 65.7 | Low | 79 Ų | 79 | 39.7 Ų | 39.7 | 31% | 0.31 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -51 | -36.2 | 174.4 | 84.1 | -93.2 | 0 | 0 | 0 | 111.5 | A1147 S1148 | Y1144-A1147 PolarHBondContact O-N 3.02Å; Y1144-S1148 VanDerWaalsContact O-CB 3.22Å; Y1144-S1148 WeakPolarHBondContact O-CB 3.14Å; Y1144-S1148 PolarHBondContact O-N 3.08Å |
| 1145 | Q | 62.3 | Low | 64.9 | Low | 73 Ų | 73 | 42.5 Ų | 42.5 | 34% | 0.341 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -46.8 | 178.4 | -61.5 | -179 | -14.4 | 0 | 0 | 111.7 | L1105 N1143 S1148 Q1149 | L1105-Q1145 HydrophobicContact CD1-CB 3.71Å; N1143-Q1145 PolarHBondContact O-N 3.12Å; N1143-Q1145 VanDerWaalsContact O-N 3.11Å; Q1145-S1148 PolarHBondContact O-N 2.89Å; Q1145-Q1149 VanDerWaalsContact O-CB 3.3Å; Q1145-Q1149 WeakPolarHBondContact O-CB 3.17Å; Q1145-Q1149 WeakPolarHBondContact O-CG 3.39Å; Q1145-Q1149 PolarHBondContact O-N 3.47Å |
| 1146 | V | 67.4 | Low | 63.9 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 110 | F1101 L1105 A1137 A1138 N1143 S1148 Q1149 L1150 | F1101-V1146 HydrophobicContact CD2-CG2 3.88Å; F1101-V1146 HydrophobicContact CE2-CG2 4.39Å; L1105-V1146 HydrophobicContact CB-CG2 4.48Å; L1105-V1146 HydrophobicContact CD1-CB 4.25Å; L1105-V1146 HydrophobicContact CD1-CG2 3.43Å; L1105-V1146 VanDerWaalsContact CD1-CG2 3.43Å; A1137-V1146 HydrophobicContact CB-CG1 3.94Å; A1137-V1146 HydrophobicContact CB-CG2 4.09Å; A1138-V1146 HydrophobicContact CB-CG1 3.89Å; N1143-V1146 HydrophobicContact CB-CG2 4.28Å; N1143-V1146 PolarHBondContact O-N 3.43Å; V1146-S1148 PolarHBondContact O-N 3.43Å; V1146-Q1149 PolarHBondContact O-N 2.93Å; V1146-L1150 HydrophobicContact CG1-CD1 4.15Å; V1146-L1150 HydrophobicContact CG1-CG 4.41Å; V1146-L1150 VanDerWaalsContact O-CB 3.3Å; V1146-L1150 WeakPolarHBondContact O-CB 3.4Å; V1146-L1150 WeakPolarHBondContact O-CG 3.26Å; V1146-L1150 PolarHBondContact O-N 3.38Å |
| 1147 | A | 64.8 | Low | 62.9 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1143 Y1144 T1151 C1203 L1204 A1207 | N1143-A1147 PolarHBondContact O-N 3.14Å; Y1144-A1147 PolarHBondContact O-N 3.02Å; A1147-T1151 PolarHBondContact O-N 3.07Å; A1147-T1151 PolarHBondContact O-OG1 3.32Å; A1147-C1203 HydrophobicContact CB-CB 4.06Å; A1147-L1204 HydrophobicContact CB-CD2 3.98Å; A1147-L1204 HydrophobicContact CB-CG 4.35Å; A1147-A1207 HydrophobicContact CB-CB 3.83Å |
| 1148 | S | 63.3 | Low | 61.9 | Low | 45 Ų | 45 | 42.4 Ų | 42.4 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | Y1144 Q1145 V1146 T1151 L1152 | Y1144-S1148 VanDerWaalsContact O-CB 3.22Å; Y1144-S1148 WeakPolarHBondContact O-CB 3.14Å; Y1144-S1148 PolarHBondContact O-N 3.08Å; Q1145-S1148 PolarHBondContact O-N 2.89Å; V1146-S1148 PolarHBondContact O-N 3.43Å; S1148-T1151 WeakPolarHBondContact CA-OG1 3.39Å; S1148-T1151 PolarHBondContact O-N 3.43Å; S1148-T1151 PolarHBondContact O-OG1 3.47Å; S1148-T1151 VanDerWaalsContact O-OG1 3.13Å; S1148-L1152 WeakPolarHBondContact O-CB 3.01Å; S1148-L1152 WeakPolarHBondContact O-CD1 3.27Å; S1148-L1152 WeakPolarHBondContact O-CG 3.34Å; S1148-L1152 PolarHBondContact O-N 3.14Å |
| 1149 | Q | 67.4 | Low | 60.8 | Low | 55 Ų | 55 | 44 Ų | 44 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -46.5 | 177.6 | -71.5 | -92.4 | -24.3 | 0 | 0 | 110.7 | L1134 Q1145 V1146 T1151 L1152 H1153 | L1134-Q1149 HydrophobicContact CD1-CB 4.19Å; L1134-Q1149 HydrophobicContact CD2-CB 3.67Å; Q1145-Q1149 VanDerWaalsContact O-CB 3.3Å; Q1145-Q1149 WeakPolarHBondContact O-CB 3.17Å; Q1145-Q1149 WeakPolarHBondContact O-CG 3.39Å; Q1145-Q1149 PolarHBondContact O-N 3.47Å; V1146-Q1149 PolarHBondContact O-N 2.93Å; Q1149-T1151 PolarHBondContact O-N 2.92Å; Q1149-L1152 PolarHBondContact O-N 3.37Å; Q1149-H1153 PolarHBondContact O-CD2 2.97Å; Q1149-H1153 PolarHBondContact O-N 2.84Å |
| 1150 | L | 69.5 | Low | 59.5 | Low | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 175.8 | -89 | 179.2 | 0 | 0 | 0 | 112.7 | L1134 I1135 A1138 V1146 H1153 L1154 | L1134-L1150 HydrophobicContact CB-CD2 3.45Å; L1134-L1150 VanDerWaalsContact CB-CD2 3.45Å; L1134-L1150 HydrophobicContact CB-CG 3.9Å; I1135-L1150 HydrophobicContact CG1-CD2 4.17Å; A1138-L1150 HydrophobicContact CB-CD1 3.4Å; A1138-L1150 VanDerWaalsContact CB-CD1 3.4Å; V1146-L1150 HydrophobicContact CG1-CD1 4.15Å; V1146-L1150 HydrophobicContact CG1-CG 4.41Å; V1146-L1150 VanDerWaalsContact O-CB 3.3Å; V1146-L1150 WeakPolarHBondContact O-CB 3.4Å; V1146-L1150 WeakPolarHBondContact O-CG 3.26Å; V1146-L1150 PolarHBondContact O-N 3.38Å; L1150-H1153 PolarHBondContact O-N 3.29Å; L1150-L1154 HydrophobicContact CB-CD1 4.36Å; L1150-L1154 HydrophobicContact CD2-CD1 4.3Å; L1150-L1154 VanDerWaalsContact O-CB 3.23Å; L1150-L1154 WeakPolarHBondContact O-CB 3.37Å; L1150-L1154 VanDerWaalsContact O-CG 3.3Å; L1150-L1154 WeakPolarHBondContact O-CG 3.37Å; L1150-L1154 PolarHBondContact O-N 3.22Å |
| 1151 | T | 64.3 | Low | 58.4 | Low | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 179.8 | 33.3 | 0 | 0 | 0 | 0 | 112.4 | A1147 S1148 Q1149 H1153 M1155 L1204 N1220 L1224 | A1147-T1151 PolarHBondContact O-N 3.07Å; A1147-T1151 PolarHBondContact O-OG1 3.32Å; S1148-T1151 WeakPolarHBondContact CA-OG1 3.39Å; S1148-T1151 PolarHBondContact O-N 3.43Å; S1148-T1151 PolarHBondContact O-OG1 3.47Å; S1148-T1151 VanDerWaalsContact O-OG1 3.13Å; Q1149-T1151 PolarHBondContact O-N 2.92Å; T1151-H1153 VanDerWaalsContact C-N 3.32Å; T1151-H1153 PolarHBondContact O-N 2.88Å; T1151-M1155 VanDerWaalsContact O-CG 3.31Å; T1151-M1155 WeakPolarHBondContact O-CG 3.35Å; T1151-M1155 PolarHBondContact O-N 3.41Å; T1151-L1204 HydrophobicContact CG2-CD1 3.71Å; T1151-L1204 HydrophobicContact CG2-CD2 4.22Å; T1151-L1204 HydrophobicContact CG2-CG 4.3Å; T1151-N1220 HydrophobicContact CG2-CB 3.82Å; T1151-N1220 PolarHBondContact OG1-ND2 3.15Å; T1151-L1224 HydrophobicContact CG2-CD1 3.89Å |
| 1152 | L | 62.9 | Low | 57.5 | Low | 115 Ų | 115 | 44.8 Ų | 44.8 | 60% | 0.602 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.8 | -40.1 | 174.2 | -79.7 | 161.8 | 0 | 0 | 0 | 112.3 | S1148 Q1149 P1156 | S1148-L1152 WeakPolarHBondContact O-CB 3.01Å; S1148-L1152 WeakPolarHBondContact O-CD1 3.27Å; S1148-L1152 WeakPolarHBondContact O-CG 3.34Å; S1148-L1152 PolarHBondContact O-N 3.14Å; Q1149-L1152 PolarHBondContact O-N 3.37Å; L1152-P1156 VanDerWaalsContact O-CD 3.29Å; L1152-P1156 WeakPolarHBondContact O-CD 3.48Å |
| 1153 | H | 62 | Low | 56.4 | Low | 70 Ų | 70 | 45.4 Ų | 45.4 | 32% | 0.324 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -85.3 | -29.2 | -179.1 | -72.7 | -71.8 | 0 | 0 | 0 | 114.4 | L1131 L1134 Q1149 L1150 T1151 I1157 | L1131-H1153 HydrophobicContact CD1-CB 4.48Å; L1134-H1153 HydrophobicContact CD1-CB 4.26Å; L1134-H1153 VanDerWaalsContact CD1-CD2 3.41Å; L1134-H1153 WeakPolarHBondContact CD1-CD2 3.26Å; Q1149-H1153 PolarHBondContact O-CD2 2.97Å; Q1149-H1153 PolarHBondContact O-N 2.84Å; L1150-H1153 PolarHBondContact O-N 3.29Å; T1151-H1153 VanDerWaalsContact C-N 3.32Å; T1151-H1153 PolarHBondContact O-N 2.88Å; H1153-I1157 VanDerWaalsContact O-CD1 3.27Å; H1153-I1157 WeakPolarHBondContact O-CD1 3.42Å; H1153-I1157 WeakPolarHBondContact O-CG1 3.41Å |
| 1154 | L | 64.7 | Low | 54.9 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76 | -38.3 | -178.5 | -82.3 | 165.3 | 0 | 0 | 0 | 113.7 | L1131 L1150 I1157 I1158 A1200 | L1131-L1154 HydrophobicContact CD1-CD2 3.97Å; L1131-L1154 HydrophobicContact CD1-CG 4.18Å; L1150-L1154 HydrophobicContact CB-CD1 4.36Å; L1150-L1154 HydrophobicContact CD2-CD1 4.3Å; L1150-L1154 VanDerWaalsContact O-CB 3.23Å; L1150-L1154 WeakPolarHBondContact O-CB 3.37Å; L1150-L1154 VanDerWaalsContact O-CG 3.3Å; L1150-L1154 WeakPolarHBondContact O-CG 3.37Å; L1150-L1154 PolarHBondContact O-N 3.22Å; L1154-I1157 PolarHBondContact O-N 3Å; L1154-I1157 VanDerWaalsContact O-N 3.13Å; L1154-I1158 WeakPolarHBondContact O-CG1 3.42Å; L1154-I1158 PolarHBondContact O-N 2.72Å; L1154-I1158 VanDerWaalsContact O-N 3.1Å; L1154-A1200 HydrophobicContact CD1-CB 3.41Å; L1154-A1200 VanDerWaalsContact CD1-CB 3.41Å |
| 1155 | M | 55.2 | Low | 53.4 | Low | 61 Ų | 61 | 54 Ų | 54 | 30% | 0.3 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | -174 | -72.2 | -64.7 | -74.5 | 0 | 0 | 113.3 | T1151 I1157 I1159 I1223 L1224 L1227 | T1151-M1155 VanDerWaalsContact O-CG 3.31Å; T1151-M1155 WeakPolarHBondContact O-CG 3.35Å; T1151-M1155 PolarHBondContact O-N 3.41Å; M1155-I1157 PolarHBondContact O-N 3.06Å; M1155-I1159 WeakPolarHBondContact O-CD1 3.16Å; M1155-I1159 WeakPolarHBondContact O-CG1 3.19Å; M1155-I1223 HydrophobicContact CE-CG2 3.63Å; M1155-I1223 HydrophobicContact SD-CG2 4.2Å; M1155-L1224 HydrophobicContact SD-CD2 4.12Å; M1155-L1227 HydrophobicContact SD-CD1 4.46Å |
| 1156 | P | 48.5 | Very low | 51.6 | Low | 72 Ų | 72 | 59.1 Ų | 59.1 | 47% | 0.468 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 173.6 | -23.4 | 34 | 0 | 0 | 0 | 113.6 | L1152 I1159 E1160 | L1152-P1156 VanDerWaalsContact O-CD 3.29Å; L1152-P1156 WeakPolarHBondContact O-CD 3.48Å; P1156-I1159 PolarHBondContact O-N 3.47Å; P1156-E1160 PolarHBondContact O-N 3.49Å |
| 1157 | I | 53.1 | Low | 49.5 | Very low | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | -175.6 | -61.3 | 171.2 | 0 | 0 | 0 | 111.6 | V1126 L1131 H1153 L1154 M1155 I1159 E1160 Y1161 L1193 | V1126-I1157 HydrophobicContact CG1-CD1 4.3Å; V1126-I1157 HydrophobicContact CG2-CG1 4.49Å; L1131-I1157 HydrophobicContact CD1-CD1 3.58Å; L1131-I1157 HydrophobicContact CD2-CD1 4.22Å; L1131-I1157 HydrophobicContact CG-CD1 4.41Å; H1153-I1157 VanDerWaalsContact O-CD1 3.27Å; H1153-I1157 WeakPolarHBondContact O-CD1 3.42Å; H1153-I1157 WeakPolarHBondContact O-CG1 3.41Å; L1154-I1157 PolarHBondContact O-N 3Å; L1154-I1157 VanDerWaalsContact O-N 3.13Å; M1155-I1157 PolarHBondContact O-N 3.06Å; I1157-I1159 PolarHBondContact O-N 3.33Å; I1157-I1159 VanDerWaalsContact O-N 3.16Å; I1157-E1160 PolarHBondContact O-N 3.38Å; I1157-Y1161 PolarHBondContact O-N 3.11Å; I1157-L1193 HydrophobicContact CG2-CD1 4.41Å; I1157-L1193 HydrophobicContact CG2-CD2 4.11Å; I1157-L1193 HydrophobicContact CG2-CG 4.45Å |
| 1158 | I | 51.7 | Low | 47.6 | Very low | 27 Ų | 27 | 71.5 Ų | 71.5 | 14% | 0.138 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.3 | -33.5 | 179.5 | -67.1 | 166.7 | 0 | 0 | 0 | 110.8 | L1154 S1162 L1193 I1197 L1224 L1227 | L1154-I1158 WeakPolarHBondContact O-CG1 3.42Å; L1154-I1158 PolarHBondContact O-N 2.72Å; L1154-I1158 VanDerWaalsContact O-N 3.1Å; I1158-S1162 PolarHBondContact O-N 3.47Å; I1158-S1162 PolarHBondContact O-OG 2.88Å; I1158-L1193 HydrophobicContact CG1-CD2 3.72Å; I1158-I1197 HydrophobicContact CD1-CD1 3.76Å; I1158-I1197 HydrophobicContact CD1-CG1 3.66Å; I1158-I1197 HydrophobicContact CG1-CD1 4.03Å; I1158-I1197 HydrophobicContact CG1-CG1 4.22Å; I1158-L1224 HydrophobicContact CD1-CD2 4.15Å; I1158-L1227 HydrophobicContact CD1-CD1 3.98Å; I1158-L1227 HydrophobicContact CG2-CD1 4.25Å |
| 1159 | I | 44.5 | Very low | 45.8 | Very low | 35 Ų | 35 | 74.8 Ų | 74.8 | 18% | 0.179 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -83.6 | -39 | -173.7 | -62.4 | 161 | 0 | 0 | 0 | 111.5 | M1155 P1156 I1157 Y1161 S1162 V1344 S1347 | M1155-I1159 WeakPolarHBondContact O-CD1 3.16Å; M1155-I1159 WeakPolarHBondContact O-CG1 3.19Å; P1156-I1159 PolarHBondContact O-N 3.47Å; I1157-I1159 PolarHBondContact O-N 3.33Å; I1157-I1159 VanDerWaalsContact O-N 3.16Å; I1159-Y1161 VanDerWaalsContact C-N 3.32Å; I1159-S1162 PolarHBondContact O-OG 2.74Å; I1159-V1344 HydrophobicContact CB-CG2 4.28Å; I1159-V1344 HydrophobicContact CD1-CB 4Å; I1159-V1344 HydrophobicContact CD1-CG1 3.61Å; I1159-V1344 HydrophobicContact CD1-CG2 3.31Å; I1159-V1344 HydrophobicContact CG1-CG1 4.24Å; I1159-V1344 HydrophobicContact CG1-CG2 4.3Å; I1159-V1344 HydrophobicContact CG2-CB 3.87Å; I1159-V1344 HydrophobicContact CG2-CG1 3.78Å; I1159-V1344 HydrophobicContact CG2-CG2 3.89Å; I1159-S1347 WeakPolarHBondContact CG2-OG 3.47Å |
| 1160 | E | 39.7 | Very low | 44.2 | Very low | 71 Ų | 71 | 78.3 Ų | 78.3 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 169.5 | -93.3 | -171.2 | 156.9 | 0 | 0 | 112.1 | P1156 I1157 S1162 G1163 F1343 | P1156-E1160 PolarHBondContact O-N 3.49Å; I1157-E1160 PolarHBondContact O-N 3.38Å; E1160-S1162 PolarHBondContact O-N 3.42Å; E1160-G1163 CarbonylContact O-C 3.6Å; E1160-G1163 VanDerWaalsContact O-CA 3.31Å; E1160-G1163 WeakPolarHBondContact O-CA 3.43Å; E1160-G1163 PolarHBondContact O-N 3.13Å; E1160-F1343 HydrophobicContact CG-CE1 3.59Å; E1160-F1343 HydrophobicContact CG-CZ 4.24Å |
| 1161 | Y | 44.8 | Very low | 42.3 | Very low | 82 Ų | 82 | 83.1 Ų | 83.1 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.6 | -26.3 | -175.4 | -128.9 | -85.6 | 0 | 0 | 0 | 114 | I1157 I1159 G1163 K1189 L1193 | I1157-Y1161 PolarHBondContact O-N 3.11Å; I1159-Y1161 VanDerWaalsContact C-N 3.32Å; Y1161-G1163 PolarHBondContact O-N 3.16Å; Y1161-K1189 HydrophobicContact CE1-CB 4.27Å; Y1161-K1189 HydrophobicContact CE2-CB 4.16Å; Y1161-K1189 HydrophobicContact CE2-CD 4.26Å; Y1161-K1189 WeakPolarHBondContact OH-CB 3.44Å; Y1161-K1189 WeakPolarHBondContact OH-CD 3.28Å; Y1161-L1193 VanDerWaalsContact CB-CD1 3.44Å; Y1161-L1193 HydrophobicContact CD1-CD1 3.73Å; Y1161-L1193 HydrophobicContact CD2-CD1 3.42Å; Y1161-L1193 VanDerWaalsContact CD2-CD1 3.42Å; Y1161-L1193 HydrophobicContact CE1-CD1 4.38Å; Y1161-L1193 HydrophobicContact CE2-CD1 4.13Å; Y1161-L1193 HydrophobicContact CG-CD1 3.2Å |
| 1162 | S | 41.5 | Very low | 40.4 | Very low | 84 Ų | 84 | 86.1 Ų | 86.1 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.7 | 165.9 | 44.9 | 0 | 0 | 0 | 0 | 112.9 | I1158 I1159 E1160 | I1158-S1162 PolarHBondContact O-N 3.47Å; I1158-S1162 PolarHBondContact O-OG 2.88Å; I1159-S1162 PolarHBondContact O-OG 2.74Å; E1160-S1162 PolarHBondContact O-N 3.42Å |
| 1163 | G | 33.9 | Very low | 38.9 | Very low | 17 Ų | 17 | 86.6 Ų | 86.6 | 18% | 0.175 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 18.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | E1160 Y1161 F1351 | E1160-G1163 CarbonylContact O-C 3.6Å; E1160-G1163 VanDerWaalsContact O-CA 3.31Å; E1160-G1163 WeakPolarHBondContact O-CA 3.43Å; E1160-G1163 PolarHBondContact O-N 3.13Å; Y1161-G1163 PolarHBondContact O-N 3.16Å; G1163-F1351 WeakPolarHBondContact O-CE2 3.38Å; G1163-F1351 WeakPolarHBondContact O-CZ 3.3Å |
| 1164 | F | 30.5 | Very low | 37 | Very low | 162 Ų | 162 | 88.1 Ų | 88.1 | 71% | 0.711 | 51% | 0.509 | S | S | * | . | trans | -119.8 | 105.1 | 173.9 | -102.8 | -91.9 | 0 | 0 | 0 | 110.2 | ||||
| 1165 | N | 28.7 | Very low | 35.2 | Very low | 133 Ų | 133 | 93.7 Ų | 93.7 | 71% | 0.711 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 174.7 | 20.9 | 144.6 | -90.1 | -19.1 | 0 | 0 | 0 | 116.8 | ||
| 1166 | F | 24.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 95.9 Ų | 95.9 | 79% | 0.794 | 57% | 0.565 | S | S | * | * | trans | -134.4 | 17 | 174.5 | -105.1 | -82.9 | 0 | 0 | 0 | 116.7 | C1168 | F1166-C1168 PolarHBondContact O-N 2.9Š| ||
| 1167 | L | 23.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 98.1 Ų | 98.1 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -96.4 | 72.6 | 158.8 | -80.8 | 166.4 | 0 | 0 | 0 | 109.3 | ||||
| 1168 | C | 26.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 104 Ų | 104 | 75% | 0.75 | 61% | 0.607 | S | S | * | * | trans | -130.3 | 74.9 | 151.1 | -76.3 | 0 | 0 | 0 | 0 | 106.1 | F1166 P1170 | F1166-C1168 PolarHBondContact O-N 2.9Å; C1168-P1170 WeakPolarHBondContact O-CD 3.5Å | ||
| 1169 | D | 24.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | trans | -51 | 120.1 | 162 | -90.3 | -28.7 | 0 | 0 | 0 | 107.8 | S1171 A1172 | D1169-S1171 PolarHBondContact O-N 3.43Å; D1169-A1172 PolarHBondContact O-N 3.39Å | ||
| 1170 | P | 34.5 | Very low | 29.4 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 84% | 0.844 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -10.4 | -179.7 | -20.2 | 31 | 0 | 0 | 0 | 113.6 | C1168 | C1168-P1170 WeakPolarHBondContact O-CD 3.5Š|
| 1171 | S | 28.8 | Very low | 28.8 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -3.3 | -176.9 | 55 | 0 | 0 | 0 | 0 | 114.9 | D1169 S1173 | D1169-S1171 PolarHBondContact O-N 3.43Å; S1171-S1173 PolarHBondContact O-N 3.08Å; S1171-S1173 VanDerWaalsContact O-N 3.16Å |
| 1172 | A | 25.7 | Very low | 28.2 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | trans | -81.5 | 88.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | D1169 S1174 | D1169-A1172 PolarHBondContact O-N 3.39Å; A1172-S1174 PolarHBondContact O-N 3.27Å | ||
| 1173 | S | 29.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 117 Ų | 117 | 88% | 0.881 | 68% | 0.677 | S | S | * | * | trans | -65.1 | 25.8 | -174.4 | 52.3 | 0 | 0 | 0 | 0 | 115.8 | S1171 | S1171-S1173 PolarHBondContact O-N 3.08Å; S1171-S1173 VanDerWaalsContact O-N 3.16Å | ||
| 1174 | S | 23.4 | Very low | 27.3 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | trans | -146.4 | 74.1 | 173.5 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | A1172 | A1172-S1174 PolarHBondContact O-N 3.27Š| ||
| 1175 | C | 26.5 | Very low | 27.4 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 78% | 0.784 | 69% | 0.685 | S | S | * | * | trans | -134.6 | 113.7 | 156.5 | -94.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1176 | P | 26.4 | Very low | 27.9 | Very low | 107 Ų | 107 | 115.3 Ų | 115.3 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | trans | -81.2 | 137.5 | -167 | 32.3 | -32.5 | 0 | 0 | 0 | 110.9 | K1178 | P1176-K1178 PolarHBondContact O-N 2.99Š| ||
| 1177 | S | 24.7 | Very low | 28.2 | Very low | 120 Ų | 120 | 114 Ų | 114 | 84% | 0.839 | 66% | 0.662 | S | S | * | * | trans | -50.5 | 98.5 | 165.9 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1178 | K | 25.5 | Very low | 28.9 | Very low | 149 Ų | 149 | 111.2 Ų | 111.2 | 65% | 0.648 | 65% | 0.648 | S | S | * | * | trans | -138.9 | 106.5 | 168.1 | -75.2 | -165.8 | 175 | -177.8 | 0 | 112.1 | P1176 | P1176-K1178 PolarHBondContact O-N 2.99Š| ||
| 1179 | D | 27.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 110.9 Ų | 110.9 | 65% | 0.652 | 63% | 0.634 | S | S | * | * | trans | 65.2 | 121.1 | 142.6 | -55.2 | -28.4 | 0 | 0 | 0 | 121.5 | S1181 Q1182 | D1179-S1181 WeakPolarHBondContact CB-OG 3.44Å; D1179-S1181 PolarHBondContact O-N 2.88Å; D1179-Q1182 PolarHBondContact O-N 2.85Å; D1179-Q1182 VanDerWaalsContact O-N 3.1Å | ||
| 1180 | M | 26.7 | Very low | 30.8 | Very low | 154 Ų | 154 | 113.9 Ų | 113.9 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.3 | -17.5 | 166.7 | -154 | 97.3 | 167.9 | 0 | 0 | 114.2 | Q1182 L1183 I1184 | M1180-Q1182 VanDerWaalsContact C-N 3.34Å; M1180-Q1182 PolarHBondContact O-N 3.49Å; M1180-L1183 PolarHBondContact O-N 3.31Å; M1180-I1184 PolarHBondContact O-N 3.05Å |
| 1181 | S | 28.5 | Very low | 31.5 | Very low | 68 Ų | 68 | 110.6 Ų | 110.6 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.4 | -35.4 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | D1179 L1183 I1184 Q1185 | D1179-S1181 WeakPolarHBondContact CB-OG 3.44Å; D1179-S1181 PolarHBondContact O-N 2.88Å; S1181-L1183 VanDerWaalsContact C-N 3.34Å; S1181-L1183 PolarHBondContact O-N 3.31Å; S1181-I1184 PolarHBondContact O-N 3.17Å; S1181-Q1185 PolarHBondContact O-N 3.29Å; S1181-Q1185 VanDerWaalsContact O-N 3.09Å |
| 1182 | Q | 31 | Very low | 32.7 | Very low | 127 Ų | 127 | 111.2 Ų | 111.2 | 59% | 0.593 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.5 | -33.5 | 177.1 | -68.8 | -172.9 | -4.7 | 0 | 0 | 112.1 | D1179 M1180 Q1185 V1186 | D1179-Q1182 PolarHBondContact O-N 2.85Å; D1179-Q1182 VanDerWaalsContact O-N 3.1Å; M1180-Q1182 VanDerWaalsContact C-N 3.34Å; M1180-Q1182 PolarHBondContact O-N 3.49Å; Q1182-Q1185 PolarHBondContact O-N 2.92Å; Q1182-V1186 WeakPolarHBondContact O-CG2 3.28Å; Q1182-V1186 PolarHBondContact O-N 3.19Å; Q1182-V1186 VanDerWaalsContact O-N 3.1Å |
| 1183 | L | 29.2 | Very low | 34.1 | Very low | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.9 | -37.9 | 176 | -92.5 | 158.8 | 0 | 0 | 0 | 112.1 | M1180 S1181 V1186 F1187 | M1180-L1183 PolarHBondContact O-N 3.31Å; S1181-L1183 VanDerWaalsContact C-N 3.34Å; S1181-L1183 PolarHBondContact O-N 3.31Å; L1183-V1186 PolarHBondContact O-N 2.82Å; L1183-F1187 WeakPolarHBondContact O-CD2 3.31Å; L1183-F1187 PolarHBondContact O-N 3.24Å |
| 1184 | I | 27.9 | Very low | 35.5 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -41.5 | 173.6 | -63.3 | 171.7 | 0 | 0 | 0 | 110.4 | M1180 S1181 V1186 F1187 D1188 | M1180-I1184 PolarHBondContact O-N 3.05Å; S1181-I1184 PolarHBondContact O-N 3.17Å; I1184-V1186 PolarHBondContact O-N 3.43Å; I1184-F1187 WeakPolarHBondContact O-CB 3.25Å; I1184-F1187 PolarHBondContact O-N 3.3Å; I1184-F1187 VanDerWaalsContact O-N 3.08Å; I1184-D1188 PolarHBondContact O-N 3.39Å; I1184-D1188 VanDerWaalsContact O-N 3.17Å |
| 1185 | Q | 33.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60 | -30.7 | 173.6 | -75 | -177.3 | -6.1 | 0 | 0 | 113.1 | S1181 Q1182 K1189 | S1181-Q1185 PolarHBondContact O-N 3.29Å; S1181-Q1185 VanDerWaalsContact O-N 3.09Å; Q1182-Q1185 PolarHBondContact O-N 2.92Å; Q1185-K1189 WeakPolarHBondContact O-CB 3.33Å; Q1185-K1189 WeakPolarHBondContact O-CG 3.31Å; Q1185-K1189 PolarHBondContact O-N 3.07Å; Q1185-K1189 VanDerWaalsContact O-N 3.16Å |
| 1186 | V | 37.7 | Very low | 39 | Very low | 57 Ų | 57 | 105.3 Ų | 105.3 | 35% | 0.345 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.3 | -34.2 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 112 | Q1182 L1183 I1184 K1189 R1190 | Q1182-V1186 WeakPolarHBondContact O-CG2 3.28Å; Q1182-V1186 PolarHBondContact O-N 3.19Å; Q1182-V1186 VanDerWaalsContact O-N 3.1Å; L1183-V1186 PolarHBondContact O-N 2.82Å; I1184-V1186 PolarHBondContact O-N 3.43Å; V1186-K1189 PolarHBondContact O-N 2.96Å; V1186-R1190 PolarHBondContact O-N 3.06Å |
| 1187 | F | 31.1 | Very low | 40.9 | Very low | 153 Ų | 153 | 101.1 Ų | 101.1 | 67% | 0.671 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 174.6 | -82.5 | -75.9 | 0 | 0 | 0 | 111.9 | L1183 I1184 K1189 R1190 A1191 | L1183-F1187 WeakPolarHBondContact O-CD2 3.31Å; L1183-F1187 PolarHBondContact O-N 3.24Å; I1184-F1187 WeakPolarHBondContact O-CB 3.25Å; I1184-F1187 PolarHBondContact O-N 3.3Å; I1184-F1187 VanDerWaalsContact O-N 3.08Å; F1187-K1189 VanDerWaalsContact C-N 3.33Å; F1187-K1189 PolarHBondContact O-N 3.27Å; F1187-R1190 PolarHBondContact O-N 3.4Å; F1187-A1191 PolarHBondContact O-N 3.39Å |
| 1188 | D | 38.2 | Very low | 42.9 | Very low | 94 Ų | 94 | 98.6 Ų | 98.6 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175 | -80.3 | -21.8 | 0 | 0 | 0 | 111.2 | I1184 R1190 A1191 H1192 | I1184-D1188 PolarHBondContact O-N 3.39Å; I1184-D1188 VanDerWaalsContact O-N 3.17Å; D1188-R1190 PolarHBondContact O-N 2.85Å; D1188-A1191 PolarHBondContact O-N 2.84Å; D1188-H1192 WeakPolarHBondContact O-CB 3.21Å; D1188-H1192 PolarHBondContact O-CD2 2.93Å; D1188-H1192 PolarHBondContact O-N 3.05Å |
| 1189 | K | 44.8 | Very low | 45.1 | Very low | 104 Ų | 104 | 93 Ų | 93 | 45% | 0.452 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | -178.8 | -74.2 | 173.2 | -175.9 | -177.1 | 0 | 114.1 | Y1161 Q1185 V1186 F1187 L1193 | Y1161-K1189 HydrophobicContact CE1-CB 4.27Å; Y1161-K1189 HydrophobicContact CE2-CB 4.16Å; Y1161-K1189 HydrophobicContact CE2-CD 4.26Å; Y1161-K1189 WeakPolarHBondContact OH-CB 3.44Å; Y1161-K1189 WeakPolarHBondContact OH-CD 3.28Å; Q1185-K1189 WeakPolarHBondContact O-CB 3.33Å; Q1185-K1189 WeakPolarHBondContact O-CG 3.31Å; Q1185-K1189 PolarHBondContact O-N 3.07Å; Q1185-K1189 VanDerWaalsContact O-N 3.16Å; V1186-K1189 PolarHBondContact O-N 2.96Å; F1187-K1189 VanDerWaalsContact C-N 3.33Å; F1187-K1189 PolarHBondContact O-N 3.27Å; K1189-L1193 WeakPolarHBondContact O-CB 3.32Å; K1189-L1193 PolarHBondContact O-N 2.85Å |
| 1190 | R | 45.5 | Very low | 47.1 | Very low | 176 Ų | 176 | 87.1 Ų | 87.1 | 66% | 0.664 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.5 | -38.9 | 176.2 | -167.9 | 176.7 | -174.9 | 176.8 | 3.5 | 112.2 | V1186 F1187 D1188 H1192 L1193 R1194 | V1186-R1190 PolarHBondContact O-N 3.06Å; F1187-R1190 PolarHBondContact O-N 3.4Å; D1188-R1190 PolarHBondContact O-N 2.85Å; R1190-H1192 VanDerWaalsContact C-N 3.35Å; R1190-L1193 PolarHBondContact O-N 2.77Å; R1190-R1194 PolarHBondContact O-N 3.48Å |
| 1191 | A | 50.5 | Low | 49.4 | Very low | 60 Ų | 60 | 80.4 Ų | 80.4 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1187 D1188 L1193 R1194 L1195 | F1187-A1191 PolarHBondContact O-N 3.39Å; D1188-A1191 PolarHBondContact O-N 2.84Å; A1191-L1193 PolarHBondContact O-N 2.56Å; A1191-R1194 PolarHBondContact O-N 3.38Å; A1191-L1195 VanDerWaalsContact O-CB 3.31Å; A1191-L1195 WeakPolarHBondContact O-CB 3.16Å; A1191-L1195 PolarHBondContact O-N 2.99Å |
| 1192 | H | 52.3 | Low | 51.6 | Low | 115 Ų | 115 | 81.2 Ų | 81.2 | 53% | 0.532 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 174.7 | -77.5 | -56.7 | 0 | 0 | 0 | 113.1 | D1188 R1190 L1195 S1196 | D1188-H1192 WeakPolarHBondContact O-CB 3.21Å; D1188-H1192 PolarHBondContact O-CD2 2.93Å; D1188-H1192 PolarHBondContact O-N 3.05Å; R1190-H1192 VanDerWaalsContact C-N 3.35Å; H1192-L1195 PolarHBondContact O-N 2.74Å; H1192-S1196 VanDerWaalsContact O-CB 3.32Å; H1192-S1196 WeakPolarHBondContact O-CB 3.26Å; H1192-S1196 PolarHBondContact O-N 3.45Å; H1192-S1196 PolarHBondContact O-OG 3.33Å |
| 1193 | L | 56.9 | Low | 53.5 | Low | 22 Ų | 22 | 75.3 Ų | 75.3 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 177.1 | -110.8 | 160 | 0 | 0 | 0 | 111.9 | I1157 I1158 Y1161 K1189 R1190 A1191 L1195 S1196 I1197 | I1157-L1193 HydrophobicContact CG2-CD1 4.41Å; I1157-L1193 HydrophobicContact CG2-CD2 4.11Å; I1157-L1193 HydrophobicContact CG2-CG 4.45Å; I1158-L1193 HydrophobicContact CG1-CD2 3.72Å; Y1161-L1193 VanDerWaalsContact CB-CD1 3.44Å; Y1161-L1193 HydrophobicContact CD1-CD1 3.73Å; Y1161-L1193 HydrophobicContact CD2-CD1 3.42Å; Y1161-L1193 VanDerWaalsContact CD2-CD1 3.42Å; Y1161-L1193 HydrophobicContact CE1-CD1 4.38Å; Y1161-L1193 HydrophobicContact CE2-CD1 4.13Å; Y1161-L1193 HydrophobicContact CG-CD1 3.2Å; K1189-L1193 WeakPolarHBondContact O-CB 3.32Å; K1189-L1193 PolarHBondContact O-N 2.85Å; R1190-L1193 PolarHBondContact O-N 2.77Å; A1191-L1193 PolarHBondContact O-N 2.56Å; L1193-L1195 VanDerWaalsContact C-N 3.31Å; L1193-L1195 PolarHBondContact O-N 2.64Å; L1193-S1196 WeakPolarHBondContact O-CB 3.44Å; L1193-S1196 PolarHBondContact O-N 3.37Å; L1193-I1197 WeakPolarHBondContact O-CG1 3.35Å; L1193-I1197 PolarHBondContact O-N 2.96Å |
| 1194 | R | 58 | Low | 55.7 | Low | 153 Ų | 153 | 70.5 Ų | 70.5 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 176.7 | -171.9 | 176.3 | -177.4 | -174.7 | -1.3 | 111.6 | R1190 A1191 S1196 I1197 N1198 | R1190-R1194 PolarHBondContact O-N 3.48Å; A1191-R1194 PolarHBondContact O-N 3.38Å; R1194-S1196 VanDerWaalsContact C-N 3.34Å; R1194-I1197 PolarHBondContact O-N 3.04Å; R1194-N1198 PolarHBondContact O-N 3.27Å; R1194-N1198 PolarHBondContact O-ND2 3.48Å |
| 1195 | L | 61.2 | Low | 58 | Low | 103 Ų | 103 | 67.2 Ų | 67.2 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.5 | -140.3 | 160.5 | 0 | 0 | 0 | 110.3 | A1191 H1192 L1193 N1198 V1199 | A1191-L1195 VanDerWaalsContact O-CB 3.31Å; A1191-L1195 WeakPolarHBondContact O-CB 3.16Å; A1191-L1195 PolarHBondContact O-N 2.99Å; H1192-L1195 PolarHBondContact O-N 2.74Å; L1193-L1195 VanDerWaalsContact C-N 3.31Å; L1193-L1195 PolarHBondContact O-N 2.64Å; L1195-N1198 PolarHBondContact O-N 3.13Å; L1195-V1199 HydrophobicContact CD2-CG2 3.85Å; L1195-V1199 WeakPolarHBondContact O-CB 3.32Å; L1195-V1199 VanDerWaalsContact O-CG2 3.24Å; L1195-V1199 WeakPolarHBondContact O-CG2 3.28Å; L1195-V1199 PolarHBondContact O-N 2.84Å |
| 1196 | S | 63.1 | Low | 59.7 | Low | 9 Ų | 9 | 65.2 Ų | 65.2 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.4 | -54 | 0 | 0 | 0 | 0 | 112.2 | I1135 H1192 L1193 R1194 V1199 A1200 | I1135-S1196 WeakPolarHBondContact CD1-OG 3.48Å; H1192-S1196 VanDerWaalsContact O-CB 3.32Å; H1192-S1196 WeakPolarHBondContact O-CB 3.26Å; H1192-S1196 PolarHBondContact O-N 3.45Å; H1192-S1196 PolarHBondContact O-OG 3.33Å; L1193-S1196 WeakPolarHBondContact O-CB 3.44Å; L1193-S1196 PolarHBondContact O-N 3.37Å; R1194-S1196 VanDerWaalsContact C-N 3.34Å; S1196-V1199 PolarHBondContact O-N 2.88Å; S1196-A1200 WeakPolarHBondContact O-CB 3.44Å; S1196-A1200 PolarHBondContact O-N 2.7Å |
| 1197 | I | 65.3 | Low | 61.2 | Low | 18 Ų | 18 | 62.5 Ų | 62.5 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 173.5 | -68.5 | 166.3 | 0 | 0 | 0 | 110.4 | I1158 L1193 R1194 V1199 A1200 I1201 L1224 V1228 | I1158-I1197 HydrophobicContact CD1-CD1 3.76Å; I1158-I1197 HydrophobicContact CD1-CG1 3.66Å; I1158-I1197 HydrophobicContact CG1-CD1 4.03Å; I1158-I1197 HydrophobicContact CG1-CG1 4.22Å; L1193-I1197 WeakPolarHBondContact O-CG1 3.35Å; L1193-I1197 PolarHBondContact O-N 2.96Å; R1194-I1197 PolarHBondContact O-N 3.04Å; I1197-V1199 PolarHBondContact O-N 3.17Å; I1197-A1200 PolarHBondContact O-N 2.84Å; I1197-I1201 HydrophobicContact CG2-CD1 3.89Å; I1197-I1201 HydrophobicContact CG2-CG1 4.47Å; I1197-I1201 VanDerWaalsContact O-CG1 3.3Å; I1197-I1201 WeakPolarHBondContact O-CG1 3.49Å; I1197-I1201 PolarHBondContact O-N 3.44Å; I1197-L1224 HydrophobicContact CG2-CB 4.22Å; I1197-L1224 HydrophobicContact CG2-CD2 4.22Å; I1197-V1228 HydrophobicContact CG2-CG2 3.45Å; I1197-V1228 VanDerWaalsContact CG2-CG2 3.45Å |
| 1198 | N | 67.9 | Low | 63.2 | Low | 67 Ų | 67 | 55.7 Ų | 55.7 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 178.8 | -72.7 | -18.6 | 0 | 0 | 0 | 112.1 | R1194 L1195 A1200 I1201 E1202 | R1194-N1198 PolarHBondContact O-N 3.27Å; R1194-N1198 PolarHBondContact O-ND2 3.48Å; L1195-N1198 PolarHBondContact O-N 3.13Å; N1198-A1200 VanDerWaalsContact C-N 3.33Å; N1198-I1201 PolarHBondContact O-N 3.42Å; N1198-E1202 PolarHBondContact O-N 3.25Å |
| 1199 | V | 70.1 | Confident | 64.5 | Low | 31 Ų | 31 | 53.4 Ų | 53.4 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | A1138 L1195 S1196 I1197 E1202 C1203 | A1138-V1199 HydrophobicContact CB-CG1 3.72Å; L1195-V1199 HydrophobicContact CD2-CG2 3.85Å; L1195-V1199 WeakPolarHBondContact O-CB 3.32Å; L1195-V1199 VanDerWaalsContact O-CG2 3.24Å; L1195-V1199 WeakPolarHBondContact O-CG2 3.28Å; L1195-V1199 PolarHBondContact O-N 2.84Å; S1196-V1199 PolarHBondContact O-N 2.88Å; I1197-V1199 PolarHBondContact O-N 3.17Å; V1199-E1202 PolarHBondContact O-N 3.06Å; V1199-C1203 WeakPolarHBondContact O-CB 3.37Å; V1199-C1203 PolarHBondContact O-N 3.01Å; V1199-C1203 PolarHBondContact O-SG 3.21Å |
| 1200 | A | 69.9 | Low | 65.4 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1154 S1196 I1197 N1198 E1202 C1203 L1204 L1224 | L1154-A1200 HydrophobicContact CD1-CB 3.41Å; L1154-A1200 VanDerWaalsContact CD1-CB 3.41Å; S1196-A1200 WeakPolarHBondContact O-CB 3.44Å; S1196-A1200 PolarHBondContact O-N 2.7Å; I1197-A1200 PolarHBondContact O-N 2.84Å; N1198-A1200 VanDerWaalsContact C-N 3.33Å; A1200-E1202 VanDerWaalsContact C-N 3.32Å; A1200-E1202 PolarHBondContact O-N 3.16Å; A1200-C1203 PolarHBondContact O-N 3.26Å; A1200-L1204 WeakPolarHBondContact O-CD1 3.47Å; A1200-L1204 VanDerWaalsContact O-CG 3.23Å; A1200-L1204 WeakPolarHBondContact O-CG 3.46Å; A1200-L1204 PolarHBondContact O-N 3.44Å; A1200-L1224 HydrophobicContact CB-CD1 3.59Å |
| 1201 | I | 74.6 | Confident | 66.5 | Low | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 172.4 | -68.9 | 163.8 | 0 | 0 | 0 | 110 | I1197 N1198 L1204 N1205 L1224 L1225 V1228 | I1197-I1201 HydrophobicContact CG2-CD1 3.89Å; I1197-I1201 HydrophobicContact CG2-CG1 4.47Å; I1197-I1201 VanDerWaalsContact O-CG1 3.3Å; I1197-I1201 WeakPolarHBondContact O-CG1 3.49Å; I1197-I1201 PolarHBondContact O-N 3.44Å; N1198-I1201 PolarHBondContact O-N 3.42Å; I1201-L1204 PolarHBondContact O-N 3.16Å; I1201-N1205 PolarHBondContact O-N 2.95Å; I1201-N1205 PolarHBondContact O-OD1 2.97Å; I1201-L1224 HydrophobicContact CD1-CB 3.91Å; I1201-L1224 HydrophobicContact CG1-CB 3.41Å; I1201-L1224 VanDerWaalsContact CG1-CB 3.41Å; I1201-L1224 HydrophobicContact CG1-CD1 4.11Å; I1201-L1224 HydrophobicContact CG1-CG 4.44Å; I1201-L1225 HydrophobicContact CD1-CD2 4.12Å; I1201-L1225 HydrophobicContact CD1-CG 4.3Å; I1201-L1225 HydrophobicContact CG1-CG 4.47Å; I1201-L1225 HydrophobicContact CG2-CD2 3.85Å; I1201-L1225 HydrophobicContact CG2-CG 4.11Å; I1201-V1228 HydrophobicContact CD1-CG2 3.81Å |
| 1202 | E | 74.2 | Confident | 67.5 | Low | 84 Ų | 84 | 41.9 Ų | 41.9 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.5 | -37.3 | -179.6 | -173.5 | 56.9 | -162 | 0 | 0 | 112.4 | N1198 V1199 A1200 L1204 N1205 R1206 | N1198-E1202 PolarHBondContact O-N 3.25Å; V1199-E1202 PolarHBondContact O-N 3.06Å; A1200-E1202 VanDerWaalsContact C-N 3.32Å; A1200-E1202 PolarHBondContact O-N 3.16Å; E1202-L1204 VanDerWaalsContact C-N 3.34Å; E1202-L1204 PolarHBondContact O-N 3.25Å; E1202-N1205 WeakPolarHBondContact O-CB 3.41Å; E1202-N1205 PolarHBondContact O-N 3.42Å; E1202-N1205 PolarHBondContact OE2-ND2 3.4Å; E1202-R1206 WeakPolarHBondContact O-CG 3.33Å; E1202-R1206 PolarHBondContact O-N 3.47Å; E1202-R1206 VanDerWaalsContact O-N 3.13Å; E1202-R1206 IonicContact OE1-NE 3.92Å |
| 1203 | C | 70.8 | Confident | 68.5 | Low | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 172.6 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | A1138 A1147 V1199 A1200 N1205 R1206 A1207 | A1138-C1203 WeakPolarHBondContact CB-SG 3.19Å; A1147-C1203 HydrophobicContact CB-CB 4.06Å; V1199-C1203 WeakPolarHBondContact O-CB 3.37Å; V1199-C1203 PolarHBondContact O-N 3.01Å; V1199-C1203 PolarHBondContact O-SG 3.21Å; A1200-C1203 PolarHBondContact O-N 3.26Å; C1203-N1205 VanDerWaalsContact C-N 3.33Å; C1203-R1206 PolarHBondContact O-N 3.11Å; C1203-A1207 VanDerWaalsContact O-CB 3.31Å; C1203-A1207 WeakPolarHBondContact O-CB 3.49Å; C1203-A1207 PolarHBondContact O-N 2.69Å |
| 1204 | L | 76.2 | Confident | 69.4 | Low | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -36.5 | 174.3 | -68.2 | 162.3 | 0 | 0 | 0 | 111.3 | A1147 T1151 A1200 I1201 E1202 R1206 A1207 I1208 L1217 N1220 R1221 L1224 | A1147-L1204 HydrophobicContact CB-CD2 3.98Å; A1147-L1204 HydrophobicContact CB-CG 4.35Å; T1151-L1204 HydrophobicContact CG2-CD1 3.71Å; T1151-L1204 HydrophobicContact CG2-CD2 4.22Å; T1151-L1204 HydrophobicContact CG2-CG 4.3Å; A1200-L1204 WeakPolarHBondContact O-CD1 3.47Å; A1200-L1204 VanDerWaalsContact O-CG 3.23Å; A1200-L1204 WeakPolarHBondContact O-CG 3.46Å; A1200-L1204 PolarHBondContact O-N 3.44Å; I1201-L1204 PolarHBondContact O-N 3.16Å; E1202-L1204 VanDerWaalsContact C-N 3.34Å; E1202-L1204 PolarHBondContact O-N 3.25Å; L1204-R1206 VanDerWaalsContact C-N 3.3Å; L1204-R1206 PolarHBondContact O-N 2.85Å; L1204-A1207 PolarHBondContact O-N 2.82Å; L1204-I1208 VanDerWaalsContact O-CB 3.31Å; L1204-I1208 WeakPolarHBondContact O-CB 3.21Å; L1204-I1208 WeakPolarHBondContact O-CD1 3.31Å; L1204-I1208 WeakPolarHBondContact O-CG1 2.83Å; L1204-I1208 PolarHBondContact O-N 3.48Å; L1204-L1217 HydrophobicContact CD2-CB 4.4Å; L1204-L1217 HydrophobicContact CD2-CD2 3.79Å; L1204-N1220 HydrophobicContact CD1-CB 4.02Å; L1204-N1220 HydrophobicContact CD2-CB 4.23Å; L1204-R1221 HydrophobicContact CB-CB 3.97Å; L1204-R1221 HydrophobicContact CB-CG 4.34Å; L1204-R1221 HydrophobicContact CD1-CB 3.95Å; L1204-L1224 HydrophobicContact CD1-CD1 3.74Å |
| 1205 | N | 76.2 | Confident | 70.5 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 20% | 0.198 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | 173.7 | -63.3 | -9.5 | 0 | 0 | 0 | 111.1 | I1201 E1202 C1203 I1208 A1209 R1221 | I1201-N1205 PolarHBondContact O-N 2.95Å; I1201-N1205 PolarHBondContact O-OD1 2.97Å; E1202-N1205 WeakPolarHBondContact O-CB 3.41Å; E1202-N1205 PolarHBondContact O-N 3.42Å; E1202-N1205 PolarHBondContact OE2-ND2 3.4Å; C1203-N1205 VanDerWaalsContact C-N 3.33Å; N1205-I1208 PolarHBondContact O-N 2.98Å; N1205-A1209 PolarHBondContact O-N 2.82Å; N1205-A1209 VanDerWaalsContact O-N 3.14Å; N1205-R1221 VanDerWaalsContact CG-CZ 3.5Å; N1205-R1221 WeakPolarHBondContact OD1-CD 3.48Å; N1205-R1221 PolarHBondContact OD1-NE 3.34Å; N1205-R1221 PolarHBondContact OD1-NH1 2.85Å; N1205-R1221 VanDerWaalsContact OD1-NH1 3.1Å; N1205-R1221 PolarHBondContact OD1-NH2 2.86Å |
| 1206 | R | 69.4 | Low | 71.3 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.5 | -37.2 | -178.7 | -59.1 | 174.9 | -172 | 179.5 | 1 | 112.4 | S1142 E1202 C1203 L1204 I1208 A1209 F1210 | S1142-R1206 VanDerWaalsContact CB-CD 3.4Å; S1142-R1206 WeakPolarHBondContact OG-CB 3.21Å; S1142-R1206 WeakPolarHBondContact OG-CD 3.46Å; E1202-R1206 WeakPolarHBondContact O-CG 3.33Å; E1202-R1206 PolarHBondContact O-N 3.47Å; E1202-R1206 VanDerWaalsContact O-N 3.13Å; E1202-R1206 IonicContact OE1-NE 3.92Å; C1203-R1206 PolarHBondContact O-N 3.11Å; L1204-R1206 VanDerWaalsContact C-N 3.3Å; L1204-R1206 PolarHBondContact O-N 2.85Å; R1206-I1208 VanDerWaalsContact C-N 3.32Å; R1206-I1208 PolarHBondContact O-N 3.42Å; R1206-A1209 VanDerWaalsContact O-CB 3.29Å; R1206-A1209 WeakPolarHBondContact O-CB 3.21Å; R1206-A1209 PolarHBondContact O-N 2.84Å; R1206-F1210 WeakPolarHBondContact O-CD2 3.35Å; R1206-F1210 PolarHBondContact O-N 3.33Å |
| 1207 | A | 68.4 | Low | 72.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1147 C1203 L1204 A1209 F1210 Q1211 L1217 | A1147-A1207 HydrophobicContact CB-CB 3.83Å; C1203-A1207 VanDerWaalsContact O-CB 3.31Å; C1203-A1207 WeakPolarHBondContact O-CB 3.49Å; C1203-A1207 PolarHBondContact O-N 2.69Å; L1204-A1207 PolarHBondContact O-N 2.82Å; A1207-A1209 VanDerWaalsContact C-N 3.26Å; A1207-A1209 PolarHBondContact O-N 3.24Å; A1207-F1210 PolarHBondContact O-N 3.35Å; A1207-Q1211 PolarHBondContact O-N 3.26Å; A1207-L1217 HydrophobicContact CB-CD1 3.8Å; A1207-L1217 HydrophobicContact CB-CD2 4.13Å |
| 1208 | I | 73.7 | Confident | 73.1 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -31.4 | 173 | -70.9 | 164 | 0 | 0 | 0 | 110.9 | L1204 N1205 R1206 F1210 Q1211 P1212 L1217 W1218 R1221 | L1204-I1208 VanDerWaalsContact O-CB 3.31Å; L1204-I1208 WeakPolarHBondContact O-CB 3.21Å; L1204-I1208 WeakPolarHBondContact O-CD1 3.31Å; L1204-I1208 WeakPolarHBondContact O-CG1 2.83Å; L1204-I1208 PolarHBondContact O-N 3.48Å; N1205-I1208 PolarHBondContact O-N 2.98Å; R1206-I1208 VanDerWaalsContact C-N 3.32Å; R1206-I1208 PolarHBondContact O-N 3.42Å; I1208-F1210 VanDerWaalsContact C-N 3.33Å; I1208-Q1211 CarbonylContact O-C 3.56Å; I1208-Q1211 VanDerWaalsContact O-C 3.29Å; I1208-P1212 WeakPolarHBondContact O-CA 3.4Å; I1208-L1217 HydrophobicContact CD1-CB 4.24Å; I1208-L1217 HydrophobicContact CG1-CB 3.57Å; I1208-L1217 HydrophobicContact CG1-CD1 4.29Å; I1208-W1218 HydrophobicContact CD1-CD2 3.95Å; I1208-W1218 HydrophobicContact CD1-CE3 3.97Å; I1208-W1218 HydrophobicContact CD1-CG 4.33Å; I1208-W1218 HydrophobicContact CD1-CZ3 4.39Å; I1208-W1218 HydrophobicContact CG1-CD2 4.45Å; I1208-W1218 HydrophobicContact CG2-CD2 4.26Å; I1208-W1218 HydrophobicContact CG2-CH2 3.87Å; I1208-W1218 HydrophobicContact CG2-CZ2 3.34Å; I1208-W1218 HydrophobicContact CG2-CZ3 4.5Å; I1208-R1221 HydrophobicContact CD1-CB 4.24Å |
| 1209 | A | 66.3 | Low | 73.8 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1205 R1206 A1207 | N1205-A1209 PolarHBondContact O-N 2.82Å; N1205-A1209 VanDerWaalsContact O-N 3.14Å; R1206-A1209 VanDerWaalsContact O-CB 3.29Å; R1206-A1209 WeakPolarHBondContact O-CB 3.21Å; R1206-A1209 PolarHBondContact O-N 2.84Å; A1207-A1209 VanDerWaalsContact C-N 3.26Å; A1207-A1209 PolarHBondContact O-N 3.24Å |
| 1210 | F | 63.5 | Low | 74.3 | Confident | 27 Ų | 27 | 35 Ų | 35 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.6 | -38.4 | 173.9 | -73.1 | -70 | 0 | 0 | 0 | 113.8 | G770 C771 M816 R1206 A1207 I1208 | G770-F1210 WeakPolarHBondContact O-CE2 3.23Å; C771-F1210 HydrophobicContact CB-CD1 3.92Å; C771-F1210 HydrophobicContact CB-CE1 3.52Å; C771-F1210 HydrophobicContact CB-CE2 4.48Å; C771-F1210 HydrophobicContact CB-CZ 3.85Å; M816-F1210 WeakPolarHBondContact O-CD1 3.25Å; R1206-F1210 WeakPolarHBondContact O-CD2 3.35Å; R1206-F1210 PolarHBondContact O-N 3.33Å; A1207-F1210 PolarHBondContact O-N 3.35Å; I1208-F1210 VanDerWaalsContact C-N 3.33Å |
| 1211 | Q | 67.2 | Low | 75 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | trans | -126.7 | 73.7 | -178.2 | -67.7 | -173.6 | -10.1 | 0 | 0 | 111 | A1207 I1208 N1213 N1214 L1217 | A1207-Q1211 PolarHBondContact O-N 3.26Å; I1208-Q1211 CarbonylContact O-C 3.56Å; I1208-Q1211 VanDerWaalsContact O-C 3.29Å; Q1211-N1213 PolarHBondContact O-N 3.07Å; Q1211-N1213 VanDerWaalsContact O-N 3.14Å; Q1211-N1214 HydrophobicContact CB-CB 3.95Å; Q1211-N1214 PolarHBondContact O-N 3.43Å; Q1211-N1214 VanDerWaalsContact O-N 3.15Å; Q1211-N1214 PolarHBondContact OE1-ND2 3.02Å; Q1211-L1217 HydrophobicContact CB-CD1 4.31Å | ||
| 1212 | P | 73 | Confident | 75.4 | Confident | 36 Ų | 36 | 37 Ų | 37 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.2 | -176.9 | 24.4 | -33.9 | 0 | 0 | 0 | 112.7 | I1208 W1218 L1244 | I1208-P1212 WeakPolarHBondContact O-CA 3.4Å; P1212-W1218 PolarHBondContact O-NE1 2.85Å; P1212-L1244 WeakPolarHBondContact O-CD1 3.31Å |
| 1213 | N | 73.2 | Confident | 75.6 | Confident | 84 Ų | 84 | 33.7 Ų | 33.7 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.4 | -178.9 | -67 | -24.2 | 0 | 0 | 0 | 114.2 | Q1211 I1215 | Q1211-N1213 PolarHBondContact O-N 3.07Å; Q1211-N1213 VanDerWaalsContact O-N 3.14Å; N1213-I1215 PolarHBondContact O-N 2.93Å |
| 1214 | N | 75.7 | Confident | 75.7 | Confident | 45 Ų | 45 | 33.6 Ų | 33.6 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | trans | -85.7 | 106.5 | -178.9 | -170.6 | -22.1 | 0 | 0 | 0 | 112.1 | Q1211 R1216 L1217 | Q1211-N1214 HydrophobicContact CB-CB 3.95Å; Q1211-N1214 PolarHBondContact O-N 3.43Å; Q1211-N1214 VanDerWaalsContact O-N 3.15Å; Q1211-N1214 PolarHBondContact OE1-ND2 3.02Å; N1214-R1216 VanDerWaalsContact C-N 3.34Å; N1214-R1216 PolarHBondContact O-N 2.95Å; N1214-R1216 PolarHBondContact OD1-N 2.73Å; N1214-L1217 HydrophobicContact CB-CD1 3.86Å; N1214-L1217 HydrophobicContact CB-CG 4.05Å; N1214-L1217 PolarHBondContact O-N 2.64Å | ||
| 1215 | I | 80.3 | Confident | 75.8 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.1 | -41.8 | -177.1 | -64.1 | 151.3 | 0 | 0 | 0 | 112.7 | N1213 L1217 W1218 H1219 A1241 L1244 L1245 Q1248 F1262 | N1213-I1215 PolarHBondContact O-N 2.93Å; I1215-L1217 VanDerWaalsContact C-N 3.28Å; I1215-L1217 PolarHBondContact O-N 2.75Å; I1215-W1218 PolarHBondContact O-N 3.45Å; I1215-H1219 PolarHBondContact O-N 2.83Å; I1215-A1241 HydrophobicContact CG2-CB 4.35Å; I1215-L1244 HydrophobicContact CD1-CB 4.39Å; I1215-L1244 HydrophobicContact CG1-CB 3.54Å; I1215-L1244 HydrophobicContact CG1-CD1 4.49Å; I1215-L1245 HydrophobicContact CB-CG 4.41Å; I1215-L1245 HydrophobicContact CD1-CD2 3.71Å; I1215-L1245 HydrophobicContact CD1-CG 3.81Å; I1215-L1245 HydrophobicContact CG1-CD2 4.42Å; I1215-L1245 HydrophobicContact CG1-CG 4.06Å; I1215-L1245 HydrophobicContact CG2-CD1 3.62Å; I1215-L1245 HydrophobicContact CG2-CD2 3.92Å; I1215-L1245 HydrophobicContact CG2-CG 3.49Å; I1215-L1245 VanDerWaalsContact CG2-CG 3.49Å; I1215-Q1248 HydrophobicContact CD1-CG 4.37Å; I1215-Q1248 VanDerWaalsContact CD1-OE1 3.29Å; I1215-F1262 HydrophobicContact CG2-CE1 3.8Å; I1215-F1262 HydrophobicContact CG2-CZ 4.28Å |
| 1216 | R | 78.4 | Confident | 75.4 | Confident | 159 Ų | 159 | 33.7 Ų | 33.7 | 60% | 0.6 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -63.5 | -35.6 | -174.8 | -71.6 | -177.7 | 179.1 | 173.6 | 2.5 | 111.9 | N1214 H1219 N1220 F1262 | N1214-R1216 VanDerWaalsContact C-N 3.34Å; N1214-R1216 PolarHBondContact O-N 2.95Å; N1214-R1216 PolarHBondContact OD1-N 2.73Å; R1216-H1219 PolarHBondContact O-N 3.41Å; R1216-N1220 WeakPolarHBondContact O-CB 3.14Å; R1216-N1220 PolarHBondContact O-N 3.47Å; R1216-N1220 PolarHBondContact O-OD1 3.47Å; R1216-F1262 HydrophobicContact CB-CZ 4.37Å; R1216-F1262 HydrophobicContact CG-CE1 4.08Å; R1216-F1262 HydrophobicContact CG-CE2 4.2Å; R1216-F1262 HydrophobicContact CG-CZ 3.65Å |
| 1217 | L | 81.1 | Confident | 75 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 178.7 | -59 | 178.9 | 0 | 0 | 0 | 111.4 | L1204 A1207 I1208 Q1211 N1214 I1215 R1221 | L1204-L1217 HydrophobicContact CD2-CB 4.4Å; L1204-L1217 HydrophobicContact CD2-CD2 3.79Å; A1207-L1217 HydrophobicContact CB-CD1 3.8Å; A1207-L1217 HydrophobicContact CB-CD2 4.13Å; I1208-L1217 HydrophobicContact CD1-CB 4.24Å; I1208-L1217 HydrophobicContact CG1-CB 3.57Å; I1208-L1217 HydrophobicContact CG1-CD1 4.29Å; Q1211-L1217 HydrophobicContact CB-CD1 4.31Å; N1214-L1217 HydrophobicContact CB-CD1 3.86Å; N1214-L1217 HydrophobicContact CB-CG 4.05Å; N1214-L1217 PolarHBondContact O-N 2.64Å; I1215-L1217 VanDerWaalsContact C-N 3.28Å; I1215-L1217 PolarHBondContact O-N 2.75Å; L1217-R1221 VanDerWaalsContact O-CB 3.27Å; L1217-R1221 WeakPolarHBondContact O-CB 3.22Å; L1217-R1221 PolarHBondContact O-N 3.28Å |
| 1218 | W | 84.6 | Confident | 74.9 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 175.8 | -75.7 | 107.3 | 0 | 0 | 0 | 112.3 | I1208 P1212 I1215 G1222 C1237 K1240 A1241 L1244 | I1208-W1218 HydrophobicContact CD1-CD2 3.95Å; I1208-W1218 HydrophobicContact CD1-CE3 3.97Å; I1208-W1218 HydrophobicContact CD1-CG 4.33Å; I1208-W1218 HydrophobicContact CD1-CZ3 4.39Å; I1208-W1218 HydrophobicContact CG1-CD2 4.45Å; I1208-W1218 HydrophobicContact CG2-CD2 4.26Å; I1208-W1218 HydrophobicContact CG2-CH2 3.87Å; I1208-W1218 HydrophobicContact CG2-CZ2 3.34Å; I1208-W1218 HydrophobicContact CG2-CZ3 4.5Å; P1212-W1218 PolarHBondContact O-NE1 2.85Å; I1215-W1218 PolarHBondContact O-N 3.45Å; W1218-G1222 PolarHBondContact O-N 3.38Å; W1218-C1237 HydrophobicContact CE3-CB 4.1Å; W1218-K1240 HydrophobicContact CD2-CB 3.65Å; W1218-K1240 HydrophobicContact CD2-CG 4.38Å; W1218-K1240 HydrophobicContact CE3-CB 3.72Å; W1218-K1240 HydrophobicContact CE3-CG 4.22Å; W1218-K1240 HydrophobicContact CG-CB 4.1Å; W1218-K1240 HydrophobicContact CH2-CB 4.37Å; W1218-K1240 HydrophobicContact CH2-CG 4.06Å; W1218-K1240 HydrophobicContact CZ2-CB 4.32Å; W1218-K1240 HydrophobicContact CZ2-CD 4.43Å; W1218-K1240 HydrophobicContact CZ2-CG 4.22Å; W1218-K1240 HydrophobicContact CZ3-CB 4.09Å; W1218-K1240 HydrophobicContact CZ3-CG 4.06Å; W1218-A1241 HydrophobicContact CB-CB 3.79Å; W1218-L1244 VanDerWaalsContact CD1-CD1 3.45Å; W1218-L1244 HydrophobicContact CG-CD1 4.44Å |
| 1219 | H | 83.4 | Confident | 74.1 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -53 | 177.4 | 175.2 | -106.8 | 0 | 0 | 0 | 112.3 | I1215 R1216 R1221 G1222 I1223 A1241 F1262 V1266 H1269 | I1215-H1219 PolarHBondContact O-N 2.83Å; R1216-H1219 PolarHBondContact O-N 3.41Å; H1219-R1221 VanDerWaalsContact C-N 3.28Å; H1219-R1221 PolarHBondContact O-N 3.22Å; H1219-G1222 WeakPolarHBondContact O-CA 3.08Å; H1219-G1222 PolarHBondContact O-N 3.19Å; H1219-G1222 VanDerWaalsContact O-N 3.09Å; H1219-I1223 WeakPolarHBondContact CE1-CD1 3.36Å; H1219-I1223 WeakPolarHBondContact NE2-CD1 3.36Å; H1219-I1223 PolarHBondContact O-N 2.88Å; H1219-I1223 VanDerWaalsContact O-N 3.08Å; H1219-A1241 HydrophobicContact CB-CB 4.29Å; H1219-F1262 HydrophobicContact CB-CZ 4.16Å; H1219-F1262 AromaticContact ND1-CE2 3.7Å; H1219-V1266 HydrophobicContact CB-CG2 4.14Å; H1219-V1266 WeakPolarHBondContact CD2-CG2 3.26Å; H1219-H1269 AromaticContact NE2-ND1 3.62Å |
| 1220 | N | 80.7 | Confident | 74.4 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | -178.3 | -68.8 | -2.3 | 0 | 0 | 0 | 111.6 | T1151 L1204 R1216 G1222 I1223 L1224 | T1151-N1220 HydrophobicContact CG2-CB 3.82Å; T1151-N1220 PolarHBondContact OG1-ND2 3.15Å; L1204-N1220 HydrophobicContact CD1-CB 4.02Å; L1204-N1220 HydrophobicContact CD2-CB 4.23Å; R1216-N1220 WeakPolarHBondContact O-CB 3.14Å; R1216-N1220 PolarHBondContact O-N 3.47Å; R1216-N1220 PolarHBondContact O-OD1 3.47Å; N1220-G1222 VanDerWaalsContact C-N 3.33Å; N1220-I1223 PolarHBondContact O-N 2.94Å; N1220-L1224 WeakPolarHBondContact O-CG 3.18Å; N1220-L1224 PolarHBondContact O-N 3.08Å; N1220-L1224 VanDerWaalsContact O-N 3.08Å |
| 1221 | R | 85 | Confident | 74.9 | Confident | 55 Ų | 55 | 42.5 Ų | 42.5 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.1 | -177.4 | -176.8 | 162.3 | 169.9 | 9.6 | 110.8 | L1204 N1205 I1208 L1217 H1219 L1224 L1225 C1237 | L1204-R1221 HydrophobicContact CB-CB 3.97Å; L1204-R1221 HydrophobicContact CB-CG 4.34Å; L1204-R1221 HydrophobicContact CD1-CB 3.95Å; N1205-R1221 VanDerWaalsContact CG-CZ 3.5Å; N1205-R1221 WeakPolarHBondContact OD1-CD 3.48Å; N1205-R1221 PolarHBondContact OD1-NE 3.34Å; N1205-R1221 PolarHBondContact OD1-NH1 2.85Å; N1205-R1221 VanDerWaalsContact OD1-NH1 3.1Å; N1205-R1221 PolarHBondContact OD1-NH2 2.86Å; I1208-R1221 HydrophobicContact CD1-CB 4.24Å; L1217-R1221 VanDerWaalsContact O-CB 3.27Å; L1217-R1221 WeakPolarHBondContact O-CB 3.22Å; L1217-R1221 PolarHBondContact O-N 3.28Å; H1219-R1221 VanDerWaalsContact C-N 3.28Å; H1219-R1221 PolarHBondContact O-N 3.22Å; R1221-L1224 PolarHBondContact O-N 3.3Å; R1221-L1225 HydrophobicContact CG-CD1 3.84Å; R1221-L1225 HydrophobicContact CG-CG 4.45Å; R1221-L1225 WeakPolarHBondContact O-CB 3.31Å; R1221-L1225 WeakPolarHBondContact O-CD1 3.37Å; R1221-L1225 VanDerWaalsContact O-CG 3.26Å; R1221-L1225 WeakPolarHBondContact O-CG 2.68Å; R1221-L1225 PolarHBondContact O-N 3.3Å; R1221-C1237 VanDerWaalsContact CD-SG 3.58Å; R1221-C1237 PolarHBondContact NE-SG 3.35Å |
| 1222 | G | 81.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1218 H1219 N1220 L1225 Q1226 A1234 | W1218-G1222 PolarHBondContact O-N 3.38Å; H1219-G1222 WeakPolarHBondContact O-CA 3.08Å; H1219-G1222 PolarHBondContact O-N 3.19Å; H1219-G1222 VanDerWaalsContact O-N 3.09Å; N1220-G1222 VanDerWaalsContact C-N 3.33Å; G1222-L1225 PolarHBondContact O-N 3.31Å; G1222-Q1226 PolarHBondContact O-N 3.46Å; G1222-A1234 VanDerWaalsContact O-CB 3.25Å; G1222-A1234 WeakPolarHBondContact O-CB 3.41Å |
| 1223 | I | 77.8 | Confident | 75.7 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 179.8 | -65.3 | 170.8 | 0 | 0 | 0 | 111.8 | M1155 H1219 N1220 L1225 Q1226 L1227 | M1155-I1223 HydrophobicContact CE-CG2 3.63Å; M1155-I1223 HydrophobicContact SD-CG2 4.2Å; H1219-I1223 WeakPolarHBondContact CE1-CD1 3.36Å; H1219-I1223 WeakPolarHBondContact NE2-CD1 3.36Å; H1219-I1223 PolarHBondContact O-N 2.88Å; H1219-I1223 VanDerWaalsContact O-N 3.08Å; N1220-I1223 PolarHBondContact O-N 2.94Å; I1223-L1225 VanDerWaalsContact C-N 3.3Å; I1223-L1225 PolarHBondContact O-N 2.94Å; I1223-Q1226 WeakPolarHBondContact O-CB 3.47Å; I1223-Q1226 PolarHBondContact O-N 3.4Å; I1223-Q1226 VanDerWaalsContact O-N 3.12Å; I1223-L1227 HydrophobicContact CG2-CD1 4.19Å; I1223-L1227 WeakPolarHBondContact O-CG 3.48Å; I1223-L1227 PolarHBondContact O-N 2.87Å |
| 1224 | L | 74.7 | Confident | 76 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | -179.9 | -67.8 | -179.5 | 0 | 0 | 0 | 111.7 | T1151 M1155 I1158 I1197 A1200 I1201 L1204 N1220 R1221 Q1226 L1227 V1228 | T1151-L1224 HydrophobicContact CG2-CD1 3.89Å; M1155-L1224 HydrophobicContact SD-CD2 4.12Å; I1158-L1224 HydrophobicContact CD1-CD2 4.15Å; I1197-L1224 HydrophobicContact CG2-CB 4.22Å; I1197-L1224 HydrophobicContact CG2-CD2 4.22Å; A1200-L1224 HydrophobicContact CB-CD1 3.59Å; I1201-L1224 HydrophobicContact CD1-CB 3.91Å; I1201-L1224 HydrophobicContact CG1-CB 3.41Å; I1201-L1224 VanDerWaalsContact CG1-CB 3.41Å; I1201-L1224 HydrophobicContact CG1-CD1 4.11Å; I1201-L1224 HydrophobicContact CG1-CG 4.44Å; L1204-L1224 HydrophobicContact CD1-CD1 3.74Å; N1220-L1224 WeakPolarHBondContact O-CG 3.18Å; N1220-L1224 PolarHBondContact O-N 3.08Å; N1220-L1224 VanDerWaalsContact O-N 3.08Å; R1221-L1224 PolarHBondContact O-N 3.3Å; L1224-Q1226 VanDerWaalsContact C-N 3.32Å; L1224-Q1226 PolarHBondContact O-N 2.74Å; L1224-L1227 HydrophobicContact CD2-CD1 4.28Å; L1224-L1227 PolarHBondContact O-N 3.12Å; L1224-V1228 WeakPolarHBondContact O-CG2 3.3Å; L1224-V1228 PolarHBondContact O-N 3.15Å |
| 1225 | L | 77.8 | Confident | 76.4 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 174 | -76.4 | 165.7 | 0 | 0 | 0 | 112 | I1201 R1221 G1222 I1223 V1228 G1229 Y1230 P1233 A1234 | I1201-L1225 HydrophobicContact CD1-CD2 4.12Å; I1201-L1225 HydrophobicContact CD1-CG 4.3Å; I1201-L1225 HydrophobicContact CG1-CG 4.47Å; I1201-L1225 HydrophobicContact CG2-CD2 3.85Å; I1201-L1225 HydrophobicContact CG2-CG 4.11Å; R1221-L1225 HydrophobicContact CG-CD1 3.84Å; R1221-L1225 HydrophobicContact CG-CG 4.45Å; R1221-L1225 WeakPolarHBondContact O-CB 3.31Å; R1221-L1225 WeakPolarHBondContact O-CD1 3.37Å; R1221-L1225 VanDerWaalsContact O-CG 3.26Å; R1221-L1225 WeakPolarHBondContact O-CG 2.68Å; R1221-L1225 PolarHBondContact O-N 3.3Å; G1222-L1225 PolarHBondContact O-N 3.31Å; I1223-L1225 VanDerWaalsContact C-N 3.3Å; I1223-L1225 PolarHBondContact O-N 2.94Å; L1225-V1228 PolarHBondContact O-N 3.42Å; L1225-G1229 PolarHBondContact O-N 3.29Å; L1225-Y1230 HydrophobicContact CD2-CD2 4.02Å; L1225-Y1230 HydrophobicContact CD2-CG 4.47Å; L1225-Y1230 PolarHBondContact O-N 2.89Å; L1225-P1233 HydrophobicContact CD1-CB 3.93Å; L1225-P1233 HydrophobicContact CD2-CB 4.31Å; L1225-A1234 HydrophobicContact CB-CB 3.76Å |
| 1226 | Q | 67.9 | Low | 76.8 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.9 | -171.2 | -179 | -2.5 | 0 | 0 | 111.5 | G1222 I1223 L1224 V1228 G1229 A1234 I1273 | G1222-Q1226 PolarHBondContact O-N 3.46Å; I1223-Q1226 WeakPolarHBondContact O-CB 3.47Å; I1223-Q1226 PolarHBondContact O-N 3.4Å; I1223-Q1226 VanDerWaalsContact O-N 3.12Å; L1224-Q1226 VanDerWaalsContact C-N 3.32Å; L1224-Q1226 PolarHBondContact O-N 2.74Å; Q1226-V1228 VanDerWaalsContact C-N 3.26Å; Q1226-V1228 PolarHBondContact O-N 2.97Å; Q1226-G1229 WeakPolarHBondContact O-CA 3.23Å; Q1226-G1229 PolarHBondContact O-N 3.42Å; Q1226-A1234 HydrophobicContact CB-CB 4.19Å; Q1226-I1273 HydrophobicContact CB-CD1 3.74Å; Q1226-I1273 HydrophobicContact CB-CG1 4.49Å; Q1226-I1273 HydrophobicContact CG-CD1 3.8Å; Q1226-I1273 HydrophobicContact CG-CG1 4Å; Q1226-I1273 VanDerWaalsContact OE1-CD1 3.24Å |
| 1227 | L | 61.2 | Low | 77.2 | Confident | 79 Ų | 79 | 39.9 Ų | 39.9 | 41% | 0.414 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.8 | -30 | 178.9 | -71.7 | 168.8 | 0 | 0 | 0 | 113.2 | M1155 I1158 I1223 L1224 G1229 | M1155-L1227 HydrophobicContact SD-CD1 4.46Å; I1158-L1227 HydrophobicContact CD1-CD1 3.98Å; I1158-L1227 HydrophobicContact CG2-CD1 4.25Å; I1223-L1227 HydrophobicContact CG2-CD1 4.19Å; I1223-L1227 WeakPolarHBondContact O-CG 3.48Å; I1223-L1227 PolarHBondContact O-N 2.87Å; L1224-L1227 HydrophobicContact CD2-CD1 4.28Å; L1224-L1227 PolarHBondContact O-N 3.12Å; L1227-G1229 VanDerWaalsContact C-N 3.31Å |
| 1228 | V | 65.4 | Low | 77.5 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 19% | 0.194 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -79 | -16.6 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | I1197 I1201 L1224 L1225 Q1226 Y1230 | I1197-V1228 HydrophobicContact CG2-CG2 3.45Å; I1197-V1228 VanDerWaalsContact CG2-CG2 3.45Å; I1201-V1228 HydrophobicContact CD1-CG2 3.81Å; L1224-V1228 WeakPolarHBondContact O-CG2 3.3Å; L1224-V1228 PolarHBondContact O-N 3.15Å; L1225-V1228 PolarHBondContact O-N 3.42Å; Q1226-V1228 VanDerWaalsContact C-N 3.26Å; Q1226-V1228 PolarHBondContact O-N 2.97Å; V1228-Y1230 HydrophobicContact CB-CD2 3.93Å; V1228-Y1230 HydrophobicContact CB-CE2 4.2Å; V1228-Y1230 HydrophobicContact CG1-CD2 3.65Å; V1228-Y1230 HydrophobicContact CG1-CE2 3.42Å; V1228-Y1230 VanDerWaalsContact CG1-CE2 3.42Å |
| 1229 | G | 57.7 | Low | 77.8 | Confident | 58 Ų | 58 | 43 Ų | 43 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98 | 9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1225 Q1226 L1227 S1231 | L1225-G1229 PolarHBondContact O-N 3.29Å; Q1226-G1229 WeakPolarHBondContact O-CA 3.23Å; Q1226-G1229 PolarHBondContact O-N 3.42Å; L1227-G1229 VanDerWaalsContact C-N 3.31Å; G1229-S1231 PolarHBondContact O-N 3Å; G1229-S1231 VanDerWaalsContact O-N 3.13Å |
| 1230 | Y | 72.2 | Confident | 78 | Confident | 129 Ų | 129 | 46.8 Ų | 46.8 | 51% | 0.506 | 25% | 0.248 | S | C | . | . | trans | -85.5 | 74.5 | 176.4 | -65.6 | -59.2 | 0 | 0 | 0 | 111.1 | L1225 V1228 V1232 P1233 A1234 | L1225-Y1230 HydrophobicContact CD2-CD2 4.02Å; L1225-Y1230 HydrophobicContact CD2-CG 4.47Å; L1225-Y1230 PolarHBondContact O-N 2.89Å; V1228-Y1230 HydrophobicContact CB-CD2 3.93Å; V1228-Y1230 HydrophobicContact CB-CE2 4.2Å; V1228-Y1230 HydrophobicContact CG1-CD2 3.65Å; V1228-Y1230 HydrophobicContact CG1-CE2 3.42Å; V1228-Y1230 VanDerWaalsContact CG1-CE2 3.42Å; Y1230-V1232 PolarHBondContact O-N 3.19Å; Y1230-P1233 WeakPolarHBondContact O-CD 3.49Å; Y1230-A1234 WeakPolarHBondContact O-CB 3.49Å; Y1230-A1234 PolarHBondContact O-N 3.46Å; Y1230-A1234 VanDerWaalsContact O-N 3.11Å | ||
| 1231 | S | 72.9 | Confident | 78.2 | Confident | 40 Ų | 40 | 45 Ų | 45 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -41.3 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | G1229 A1234 K1235 I1273 | G1229-S1231 PolarHBondContact O-N 3Å; G1229-S1231 VanDerWaalsContact O-N 3.13Å; S1231-A1234 PolarHBondContact O-N 3.19Å; S1231-K1235 WeakPolarHBondContact O-CB 3.44Å; S1231-K1235 PolarHBondContact O-N 2.78Å; S1231-I1273 WeakPolarHBondContact O-CG2 3.32Å |
| 1232 | V | 76.3 | Confident | 78.2 | Confident | 102 Ų | 102 | 42.8 Ų | 42.8 | 62% | 0.618 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.9 | -49.8 | -178.2 | 179.6 | 0 | 0 | 0 | 0 | 113 | Y1230 A1234 K1235 H1236 | Y1230-V1232 PolarHBondContact O-N 3.19Å; V1232-A1234 VanDerWaalsContact C-N 3.3Å; V1232-A1234 PolarHBondContact O-N 3.13Å; V1232-K1235 WeakPolarHBondContact O-CB 3.05Å; V1232-K1235 PolarHBondContact O-N 3.41Å; V1232-H1236 PolarHBondContact O-N 3Å |
| 1233 | P | 82.4 | Confident | 78.3 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 172.7 | -27 | 36.8 | 0 | 0 | 0 | 113.2 | L1225 Y1230 K1235 H1236 C1237 | L1225-P1233 HydrophobicContact CD1-CB 3.93Å; L1225-P1233 HydrophobicContact CD2-CB 4.31Å; Y1230-P1233 WeakPolarHBondContact O-CD 3.49Å; P1233-K1235 VanDerWaalsContact C-N 3.33Å; P1233-K1235 PolarHBondContact O-N 3.41Å; P1233-H1236 PolarHBondContact O-N 3.3Å; P1233-C1237 PolarHBondContact O-N 3.3Å; P1233-C1237 PolarHBondContact O-SG 2.92Å; P1233-C1237 VanDerWaalsContact O-SG 3.38Å |
| 1234 | A | 79.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1222 L1225 Q1226 Y1230 S1231 V1232 H1236 C1237 L1238 I1273 | G1222-A1234 VanDerWaalsContact O-CB 3.25Å; G1222-A1234 WeakPolarHBondContact O-CB 3.41Å; L1225-A1234 HydrophobicContact CB-CB 3.76Å; Q1226-A1234 HydrophobicContact CB-CB 4.19Å; Y1230-A1234 WeakPolarHBondContact O-CB 3.49Å; Y1230-A1234 PolarHBondContact O-N 3.46Å; Y1230-A1234 VanDerWaalsContact O-N 3.11Å; S1231-A1234 PolarHBondContact O-N 3.19Å; V1232-A1234 VanDerWaalsContact C-N 3.3Å; V1232-A1234 PolarHBondContact O-N 3.13Å; A1234-H1236 VanDerWaalsContact C-N 3.34Å; A1234-H1236 PolarHBondContact O-N 3.01Å; A1234-C1237 PolarHBondContact O-N 2.91Å; A1234-L1238 WeakPolarHBondContact O-CG 3.16Å; A1234-L1238 PolarHBondContact O-N 2.83Å; A1234-I1273 HydrophobicContact CB-CD1 3.42Å; A1234-I1273 VanDerWaalsContact CB-CD1 3.42Å |
| 1235 | K | 84.2 | Confident | 78.7 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 173.7 | -176 | -179.7 | 169.8 | 178.6 | 0 | 111.4 | S1231 V1232 P1233 L1238 Q1239 Y1270 I1273 T1274 S1279 | S1231-K1235 WeakPolarHBondContact O-CB 3.44Å; S1231-K1235 PolarHBondContact O-N 2.78Å; V1232-K1235 WeakPolarHBondContact O-CB 3.05Å; V1232-K1235 PolarHBondContact O-N 3.41Å; P1233-K1235 VanDerWaalsContact C-N 3.33Å; P1233-K1235 PolarHBondContact O-N 3.41Å; K1235-L1238 PolarHBondContact O-N 3.24Å; K1235-Q1239 VanDerWaalsContact O-CB 3.3Å; K1235-Q1239 WeakPolarHBondContact O-CB 3.31Å; K1235-Q1239 PolarHBondContact O-N 3.03Å; K1235-Y1270 HydrophobicContact CG-CE2 4.16Å; K1235-I1273 HydrophobicContact CB-CG2 3.76Å; K1235-T1274 HydrophobicContact CD-CG2 4.34Å; K1235-T1274 HydrophobicContact CG-CG2 4.23Å; K1235-S1279 PolarHBondContact NZ-OG 3.32Å |
| 1236 | H | 87.5 | Confident | 78.5 | Confident | 99 Ų | 99 | 50 Ų | 50 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 179.9 | -177.2 | -80.6 | 0 | 0 | 0 | 112.4 | V1232 P1233 A1234 Q1239 K1240 | V1232-H1236 PolarHBondContact O-N 3Å; P1233-H1236 PolarHBondContact O-N 3.3Å; A1234-H1236 VanDerWaalsContact C-N 3.34Å; A1234-H1236 PolarHBondContact O-N 3.01Å; H1236-Q1239 WeakPolarHBondContact O-CB 3.5Å; H1236-Q1239 PolarHBondContact O-N 2.87Å; H1236-K1240 PolarHBondContact O-N 3.2Å |
| 1237 | C | 87.1 | Confident | 78.6 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 178.1 | -69.5 | 0 | 0 | 0 | 0 | 112 | W1218 R1221 P1233 A1234 Q1239 K1240 A1241 | W1218-C1237 HydrophobicContact CE3-CB 4.1Å; R1221-C1237 VanDerWaalsContact CD-SG 3.58Å; R1221-C1237 PolarHBondContact NE-SG 3.35Å; P1233-C1237 PolarHBondContact O-N 3.3Å; P1233-C1237 PolarHBondContact O-SG 2.92Å; P1233-C1237 VanDerWaalsContact O-SG 3.38Å; A1234-C1237 PolarHBondContact O-N 2.91Å; C1237-Q1239 VanDerWaalsContact C-N 3.34Å; C1237-K1240 PolarHBondContact O-N 2.98Å; C1237-A1241 PolarHBondContact O-N 3.35Å |
| 1238 | L | 88.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67 | -35.3 | 176.3 | -67.3 | -179.6 | 0 | 0 | 0 | 111.9 | A1234 K1235 K1240 A1241 V1242 H1269 Y1270 I1273 | A1234-L1238 WeakPolarHBondContact O-CG 3.16Å; A1234-L1238 PolarHBondContact O-N 2.83Å; K1235-L1238 PolarHBondContact O-N 3.24Å; L1238-K1240 PolarHBondContact O-N 2.95Å; L1238-A1241 WeakPolarHBondContact O-CB 3.43Å; L1238-A1241 PolarHBondContact O-N 3.46Å; L1238-V1242 VanDerWaalsContact O-CG2 3.32Å; L1238-V1242 WeakPolarHBondContact O-CG2 3.41Å; L1238-V1242 PolarHBondContact O-N 3.33Å; L1238-H1269 HydrophobicContact CD1-CB 3.76Å; L1238-H1269 HydrophobicContact CD2-CB 4.34Å; L1238-Y1270 HydrophobicContact CB-CD2 3.7Å; L1238-Y1270 HydrophobicContact CB-CG 4.4Å; L1238-I1273 HydrophobicContact CD1-CB 4.47Å; L1238-I1273 HydrophobicContact CD1-CD1 3.37Å; L1238-I1273 HydrophobicContact CD1-CG1 4.03Å; L1238-I1273 HydrophobicContact CG-CD1 4.44Å |
| 1239 | Q | 89.7 | Confident | 78.2 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.1 | -169.3 | 178.2 | 4 | 0 | 0 | 111.8 | K1235 H1236 C1237 V1242 M1243 Y1270 | K1235-Q1239 VanDerWaalsContact O-CB 3.3Å; K1235-Q1239 WeakPolarHBondContact O-CB 3.31Å; K1235-Q1239 PolarHBondContact O-N 3.03Å; H1236-Q1239 WeakPolarHBondContact O-CB 3.5Å; H1236-Q1239 PolarHBondContact O-N 2.87Å; C1237-Q1239 VanDerWaalsContact C-N 3.34Å; Q1239-V1242 PolarHBondContact O-N 2.98Å; Q1239-M1243 WeakPolarHBondContact O-CB 3.35Å; Q1239-M1243 PolarHBondContact O-N 2.94Å; Q1239-Y1270 HydrophobicContact CB-CD2 4.49Å; Q1239-Y1270 HydrophobicContact CB-CE2 3.71Å; Q1239-Y1270 HydrophobicContact CG-CE2 4.27Å |
| 1240 | K | 87.1 | Confident | 77.9 | Confident | 82 Ų | 82 | 64 Ų | 64 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 174.8 | -82.6 | -75.5 | -174.5 | 175.7 | 0 | 111.9 | W1218 H1236 C1237 L1238 M1243 L1244 | W1218-K1240 HydrophobicContact CD2-CB 3.65Å; W1218-K1240 HydrophobicContact CD2-CG 4.38Å; W1218-K1240 HydrophobicContact CE3-CB 3.72Å; W1218-K1240 HydrophobicContact CE3-CG 4.22Å; W1218-K1240 HydrophobicContact CG-CB 4.1Å; W1218-K1240 HydrophobicContact CH2-CB 4.37Å; W1218-K1240 HydrophobicContact CH2-CG 4.06Å; W1218-K1240 HydrophobicContact CZ2-CB 4.32Å; W1218-K1240 HydrophobicContact CZ2-CD 4.43Å; W1218-K1240 HydrophobicContact CZ2-CG 4.22Å; W1218-K1240 HydrophobicContact CZ3-CB 4.09Å; W1218-K1240 HydrophobicContact CZ3-CG 4.06Å; H1236-K1240 PolarHBondContact O-N 3.2Å; C1237-K1240 PolarHBondContact O-N 2.98Å; L1238-K1240 PolarHBondContact O-N 2.95Å; K1240-M1243 PolarHBondContact O-N 3.47Å; K1240-L1244 WeakPolarHBondContact O-CG 3.39Å; K1240-L1244 PolarHBondContact O-N 3.33Å |
| 1241 | A | 85.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1215 W1218 H1219 C1237 L1238 L1244 L1245 V1266 | I1215-A1241 HydrophobicContact CG2-CB 4.35Å; W1218-A1241 HydrophobicContact CB-CB 3.79Å; H1219-A1241 HydrophobicContact CB-CB 4.29Å; C1237-A1241 PolarHBondContact O-N 3.35Å; L1238-A1241 WeakPolarHBondContact O-CB 3.43Å; L1238-A1241 PolarHBondContact O-N 3.46Å; A1241-L1244 PolarHBondContact O-N 3.31Å; A1241-L1245 WeakPolarHBondContact O-CB 3.48Å; A1241-L1245 WeakPolarHBondContact O-CD1 3.24Å; A1241-L1245 WeakPolarHBondContact O-CG 3.18Å; A1241-L1245 PolarHBondContact O-N 3.26Å; A1241-V1266 HydrophobicContact CB-CG1 3.97Å |
| 1242 | V | 84.6 | Confident | 75.7 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L1238 Q1239 L1244 L1245 N1246 V1266 L1267 Y1270 I1284 | L1238-V1242 VanDerWaalsContact O-CG2 3.32Å; L1238-V1242 WeakPolarHBondContact O-CG2 3.41Å; L1238-V1242 PolarHBondContact O-N 3.33Å; Q1239-V1242 PolarHBondContact O-N 2.98Å; V1242-L1244 PolarHBondContact O-N 3.23Å; V1242-L1245 PolarHBondContact O-N 3.06Å; V1242-N1246 WeakPolarHBondContact O-CB 3.47Å; V1242-N1246 PolarHBondContact O-N 3.12Å; V1242-N1246 PolarHBondContact O-ND2 3.34Å; V1242-V1266 HydrophobicContact CG2-CG1 3.93Å; V1242-L1267 HydrophobicContact CG1-CD2 4.18Å; V1242-L1267 HydrophobicContact CG2-CD2 4.06Å; V1242-Y1270 HydrophobicContact CG2-CG 4.31Å; V1242-I1284 HydrophobicContact CG1-CD1 3.93Å |
| 1243 | M | 84 | Confident | 74.6 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 47% | 0.473 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.1 | -177 | -172.8 | 177.7 | 0 | 0 | 112.2 | Q1239 K1240 N1246 K1247 | Q1239-M1243 WeakPolarHBondContact O-CB 3.35Å; Q1239-M1243 PolarHBondContact O-N 2.94Å; K1240-M1243 PolarHBondContact O-N 3.47Å; M1243-N1246 PolarHBondContact O-N 2.95Å; M1243-K1247 PolarHBondContact O-N 2.96Å |
| 1244 | L | 81 | Confident | 73.2 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 178.6 | -72.1 | 170.4 | 0 | 0 | 0 | 111.9 | P1212 I1215 W1218 K1240 A1241 V1242 N1246 K1247 Q1248 | P1212-L1244 WeakPolarHBondContact O-CD1 3.31Å; I1215-L1244 HydrophobicContact CD1-CB 4.39Å; I1215-L1244 HydrophobicContact CG1-CB 3.54Å; I1215-L1244 HydrophobicContact CG1-CD1 4.49Å; W1218-L1244 VanDerWaalsContact CD1-CD1 3.45Å; W1218-L1244 HydrophobicContact CG-CD1 4.44Å; K1240-L1244 WeakPolarHBondContact O-CG 3.39Å; K1240-L1244 PolarHBondContact O-N 3.33Å; A1241-L1244 PolarHBondContact O-N 3.31Å; V1242-L1244 PolarHBondContact O-N 3.23Å; L1244-N1246 VanDerWaalsContact C-N 3.34Å; L1244-N1246 PolarHBondContact O-N 2.85Å; L1244-K1247 PolarHBondContact O-N 3.03Å; L1244-Q1248 PolarHBondContact O-N 3.44Å |
| 1245 | L | 79.4 | Confident | 72 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 172.8 | -80.3 | 157.7 | 0 | 0 | 0 | 112 | I1215 A1241 V1242 K1247 Q1248 Y1253 F1263 V1266 | I1215-L1245 HydrophobicContact CB-CG 4.41Å; I1215-L1245 HydrophobicContact CD1-CD2 3.71Å; I1215-L1245 HydrophobicContact CD1-CG 3.81Å; I1215-L1245 HydrophobicContact CG1-CD2 4.42Å; I1215-L1245 HydrophobicContact CG1-CG 4.06Å; I1215-L1245 HydrophobicContact CG2-CD1 3.62Å; I1215-L1245 HydrophobicContact CG2-CD2 3.92Å; I1215-L1245 HydrophobicContact CG2-CG 3.49Å; I1215-L1245 VanDerWaalsContact CG2-CG 3.49Å; A1241-L1245 WeakPolarHBondContact O-CB 3.48Å; A1241-L1245 WeakPolarHBondContact O-CD1 3.24Å; A1241-L1245 WeakPolarHBondContact O-CG 3.18Å; A1241-L1245 PolarHBondContact O-N 3.26Å; V1242-L1245 PolarHBondContact O-N 3.06Å; L1245-K1247 VanDerWaalsContact C-N 3.27Å; L1245-K1247 PolarHBondContact O-N 2.9Å; L1245-Q1248 PolarHBondContact O-N 3.49Å; L1245-Y1253 HydrophobicContact CD2-CE2 4.19Å; L1245-Y1253 WeakPolarHBondContact CD2-OH 3.19Å; L1245-F1263 HydrophobicContact CB-CD2 4.14Å; L1245-F1263 HydrophobicContact CB-CE2 3.81Å; L1245-F1263 HydrophobicContact CD1-CD2 3.87Å; L1245-F1263 HydrophobicContact CD1-CE2 4.17Å; L1245-F1263 HydrophobicContact CD2-CD2 3.92Å; L1245-F1263 HydrophobicContact CD2-CE2 4.42Å; L1245-F1263 HydrophobicContact CG-CD2 4.18Å; L1245-F1263 HydrophobicContact CG-CE2 4.34Å; L1245-V1266 HydrophobicContact CD1-CB 3.97Å; L1245-V1266 HydrophobicContact CD1-CG1 3.73Å; L1245-V1266 HydrophobicContact CD1-CG2 4Å |
| 1246 | N | 75.4 | Confident | 70.9 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.1 | -23.1 | 178 | -76.5 | -29.1 | 0 | 0 | 0 | 113.4 | V1242 M1243 L1244 | V1242-N1246 WeakPolarHBondContact O-CB 3.47Å; V1242-N1246 PolarHBondContact O-N 3.12Å; V1242-N1246 PolarHBondContact O-ND2 3.34Å; M1243-N1246 PolarHBondContact O-N 2.95Å; L1244-N1246 VanDerWaalsContact C-N 3.34Å; L1244-N1246 PolarHBondContact O-N 2.85Å |
| 1247 | K | 70.2 | Confident | 69.6 | Low | 138 Ų | 138 | 76.2 Ų | 76.2 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -75.6 | -31.9 | 172.5 | -77.6 | -173.4 | 174.5 | -171.1 | 0 | 112.6 | M1243 L1244 L1245 | M1243-K1247 PolarHBondContact O-N 2.96Å; L1244-K1247 PolarHBondContact O-N 3.03Å; L1245-K1247 VanDerWaalsContact C-N 3.27Å; L1245-K1247 PolarHBondContact O-N 2.9Å |
| 1248 | Q | 64.8 | Low | 68.4 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -75.3 | 124.9 | 171.6 | -67.7 | -173.5 | -6.2 | 0 | 0 | 107.8 | I1215 L1244 L1245 Q1250 Y1253 | I1215-Q1248 HydrophobicContact CD1-CG 4.37Å; I1215-Q1248 VanDerWaalsContact CD1-OE1 3.29Å; L1244-Q1248 PolarHBondContact O-N 3.44Å; L1245-Q1248 PolarHBondContact O-N 3.49Å; Q1248-Q1250 PolarHBondContact O-N 3.14Å; Q1248-Q1250 VanDerWaalsContact O-N 3.1Å; Q1248-Y1253 WeakPolarHBondContact CB-OH 3.43Å; Q1248-Y1253 PolarHBondContact OE1-OH 3.37Å |
| 1249 | N | 53.3 | Low | 67.4 | Low | 131 Ų | 131 | 86.1 Ų | 86.1 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | trans | -43.3 | 117.7 | -171.1 | -76.1 | -26.7 | 0 | 0 | 0 | 113 | L1251 S1252 | N1249-L1251 PolarHBondContact O-N 3.25Å; N1249-S1252 PolarHBondContact O-N 2.99Å; N1249-S1252 VanDerWaalsContact O-N 3.16Å; N1249-S1252 PolarHBondContact O-OG 2.98Å | ||
| 1250 | Q | 49.7 | Very low | 66.5 | Low | 125 Ų | 125 | 83 Ų | 83 | 58% | 0.584 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -15 | 179.9 | -72.1 | -177.4 | -16.9 | 0 | 0 | 114.7 | Q1248 | Q1248-Q1250 PolarHBondContact O-N 3.14Å; Q1248-Q1250 VanDerWaalsContact O-N 3.1Å |
| 1251 | L | 48.8 | Very low | 65.7 | Low | 148 Ų | 148 | 80.5 Ų | 80.5 | 78% | 0.775 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -27.1 | -179.2 | -74.7 | 158.7 | 0 | 0 | 0 | 113.8 | N1249 | N1249-L1251 PolarHBondContact O-N 3.25Š|
| 1252 | S | 51.4 | Low | 65.2 | Low | 59 Ų | 59 | 82.7 Ų | 82.7 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -76.9 | -27.1 | -172.1 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | N1249 R1254 | N1249-S1252 PolarHBondContact O-N 2.99Å; N1249-S1252 VanDerWaalsContact O-N 3.16Å; N1249-S1252 PolarHBondContact O-OG 2.98Å; S1252-R1254 VanDerWaalsContact C-N 3.35Å; S1252-R1254 PolarHBondContact O-N 3.45Å |
| 1253 | Y | 53.1 | Low | 65 | Low | 16 Ų | 16 | 83.2 Ų | 83.2 | 6% | 0.063 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -77.3 | -17 | -172.8 | -59.3 | -53.7 | 0 | 0 | 0 | 114.6 | L1245 Q1248 D1255 E1259 | L1245-Y1253 HydrophobicContact CD2-CE2 4.19Å; L1245-Y1253 WeakPolarHBondContact CD2-OH 3.19Å; Q1248-Y1253 WeakPolarHBondContact CB-OH 3.43Å; Q1248-Y1253 PolarHBondContact OE1-OH 3.37Å; Y1253-D1255 VanDerWaalsContact C-N 3.28Å; Y1253-D1255 PolarHBondContact O-N 3.34Å; Y1253-E1259 HydrophobicContact CD1-CB 3.54Å; Y1253-E1259 HydrophobicContact CD1-CG 4.28Å; Y1253-E1259 WeakPolarHBondContact CD1-OE2 3.21Å; Y1253-E1259 HydrophobicContact CE1-CB 4.2Å; Y1253-E1259 HydrophobicContact CG-CB 4.45Å |
| 1254 | R | 52 | Low | 64.9 | Low | 197 Ų | 197 | 78.7 Ų | 78.7 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -69.9 | -24.9 | -177.2 | -76.3 | -173 | 174.1 | -175.5 | -1.4 | 113.4 | S1252 | S1252-R1254 VanDerWaalsContact C-N 3.35Å; S1252-R1254 PolarHBondContact O-N 3.45Å |
| 1255 | D | 55.7 | Low | 64.9 | Low | 140 Ų | 140 | 80.1 Ų | 80.1 | 75% | 0.749 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -22.6 | -177.3 | -64.2 | -24.5 | 0 | 0 | 0 | 112.6 | Y1253 P1257 | Y1253-D1255 VanDerWaalsContact C-N 3.28Å; Y1253-D1255 PolarHBondContact O-N 3.34Å; D1255-P1257 WeakPolarHBondContact O-CD 3.47Å |
| 1256 | N | 60.3 | Low | 65.1 | Low | 83 Ų | 83 | 79.9 Ų | 79.9 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | trans | -104.6 | 106.4 | -180 | -81.7 | -29.1 | 0 | 0 | 0 | 111.8 | N1258 E1259 L1260 | N1256-N1258 PolarHBondContact O-N 3.29Å; N1256-N1258 VanDerWaalsContact O-N 3.12Å; N1256-E1259 HydrophobicContact CB-CB 4.04Å; N1256-E1259 HydrophobicContact CB-CG 3.91Å; N1256-E1259 PolarHBondContact ND2-OE2 2.85Å; N1256-E1259 VanDerWaalsContact ND2-OE2 3.1Å; N1256-E1259 PolarHBondContact O-N 3.06Å; N1256-E1259 VanDerWaalsContact O-N 3.09Å; N1256-L1260 PolarHBondContact O-N 2.99Å | ||
| 1257 | P | 60.5 | Low | 65.6 | Low | 96 Ų | 96 | 77.1 Ų | 77.1 | 62% | 0.623 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.6 | -30 | -179.2 | 22.3 | -32.3 | 0 | 0 | 0 | 113.2 | D1255 A1261 | D1255-P1257 WeakPolarHBondContact O-CD 3.47Å; P1257-A1261 WeakPolarHBondContact O-CB 3.4Å; P1257-A1261 PolarHBondContact O-N 3.39Å |
| 1258 | N | 62.1 | Low | 66.2 | Low | 139 Ų | 139 | 70.5 Ų | 70.5 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.6 | -38.5 | 177.8 | -69.2 | -14.7 | 0 | 0 | 0 | 112.8 | N1256 F1262 | N1256-N1258 PolarHBondContact O-N 3.29Å; N1256-N1258 VanDerWaalsContact O-N 3.12Å; N1258-F1262 PolarHBondContact O-N 3.25Å |
| 1259 | E | 67.5 | Low | 67.1 | Low | 72 Ų | 72 | 67.2 Ų | 67.2 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.4 | -35.6 | 177.5 | -61.2 | -175 | 139.6 | 0 | 0 | 111 | Y1253 N1256 F1262 F1263 | Y1253-E1259 HydrophobicContact CD1-CB 3.54Å; Y1253-E1259 HydrophobicContact CD1-CG 4.28Å; Y1253-E1259 WeakPolarHBondContact CD1-OE2 3.21Å; Y1253-E1259 HydrophobicContact CE1-CB 4.2Å; Y1253-E1259 HydrophobicContact CG-CB 4.45Å; N1256-E1259 HydrophobicContact CB-CB 4.04Å; N1256-E1259 HydrophobicContact CB-CG 3.91Å; N1256-E1259 PolarHBondContact ND2-OE2 2.85Å; N1256-E1259 VanDerWaalsContact ND2-OE2 3.1Å; N1256-E1259 PolarHBondContact O-N 3.06Å; N1256-E1259 VanDerWaalsContact O-N 3.09Å; E1259-F1262 PolarHBondContact O-N 2.77Å; E1259-F1263 WeakPolarHBondContact O-CB 3.47Å; E1259-F1263 PolarHBondContact O-N 2.77Å |
| 1260 | L | 70.9 | Confident | 68.7 | Low | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.1 | -164.8 | 117.2 | 0 | 0 | 0 | 111.8 | N1256 F1263 S1264 | N1256-L1260 PolarHBondContact O-N 2.99Å; L1260-F1263 PolarHBondContact O-N 3.17Å; L1260-S1264 PolarHBondContact O-N 2.93Å |
| 1261 | A | 69.1 | Low | 70.3 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 24% | 0.24 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1257 S1264 L1265 | P1257-A1261 WeakPolarHBondContact O-CB 3.4Å; P1257-A1261 PolarHBondContact O-N 3.39Å; A1261-S1264 PolarHBondContact O-OG 2.98Å; A1261-S1264 VanDerWaalsContact O-OG 3.07Å; A1261-L1265 VanDerWaalsContact O-CB 3.23Å; A1261-L1265 WeakPolarHBondContact O-CB 3.35Å; A1261-L1265 PolarHBondContact O-N 2.63Å |
| 1262 | F | 75.3 | Confident | 71.8 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 20% | 0.197 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 173.1 | -177.7 | -106.6 | 0 | 0 | 0 | 111.7 | I1215 R1216 H1219 N1258 E1259 L1265 V1266 | I1215-F1262 HydrophobicContact CG2-CE1 3.8Å; I1215-F1262 HydrophobicContact CG2-CZ 4.28Å; R1216-F1262 HydrophobicContact CB-CZ 4.37Å; R1216-F1262 HydrophobicContact CG-CE1 4.08Å; R1216-F1262 HydrophobicContact CG-CE2 4.2Å; R1216-F1262 HydrophobicContact CG-CZ 3.65Å; H1219-F1262 HydrophobicContact CB-CZ 4.16Å; H1219-F1262 AromaticContact ND1-CE2 3.7Å; N1258-F1262 PolarHBondContact O-N 3.25Å; E1259-F1262 PolarHBondContact O-N 2.77Å; F1262-L1265 WeakPolarHBondContact O-CB 3.43Å; F1262-L1265 PolarHBondContact O-N 2.88Å; F1262-V1266 HydrophobicContact CD1-CG2 4.24Å; F1262-V1266 HydrophobicContact CD2-CG2 4.49Å; F1262-V1266 HydrophobicContact CE1-CG2 3.83Å; F1262-V1266 HydrophobicContact CE2-CG2 4.1Å; F1262-V1266 HydrophobicContact CZ-CG2 3.73Å; F1262-V1266 WeakPolarHBondContact O-CG2 3.42Å; F1262-V1266 PolarHBondContact O-N 3.28Å |
| 1263 | F | 81.4 | Confident | 73 | Confident | 21 Ų | 21 | 47 Ų | 47 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.1 | -169.1 | -123.4 | 0 | 0 | 0 | 111.8 | L1245 E1259 L1260 L1265 V1266 L1267 L1291 | L1245-F1263 HydrophobicContact CB-CD2 4.14Å; L1245-F1263 HydrophobicContact CB-CE2 3.81Å; L1245-F1263 HydrophobicContact CD1-CD2 3.87Å; L1245-F1263 HydrophobicContact CD1-CE2 4.17Å; L1245-F1263 HydrophobicContact CD2-CD2 3.92Å; L1245-F1263 HydrophobicContact CD2-CE2 4.42Å; L1245-F1263 HydrophobicContact CG-CD2 4.18Å; L1245-F1263 HydrophobicContact CG-CE2 4.34Å; E1259-F1263 WeakPolarHBondContact O-CB 3.47Å; E1259-F1263 PolarHBondContact O-N 2.77Å; L1260-F1263 PolarHBondContact O-N 3.17Å; F1263-L1265 VanDerWaalsContact C-N 3.31Å; F1263-L1265 PolarHBondContact O-N 3.28Å; F1263-V1266 PolarHBondContact O-N 3.38Å; F1263-L1267 HydrophobicContact CD1-CD1 4.04Å; F1263-L1267 HydrophobicContact CE1-CD1 3.76Å; F1263-L1267 HydrophobicContact CE2-CD1 4.32Å; F1263-L1267 HydrophobicContact CG-CD1 4.46Å; F1263-L1267 HydrophobicContact CZ-CD1 3.9Å; F1263-L1267 WeakPolarHBondContact O-CG 3.47Å; F1263-L1267 PolarHBondContact O-N 3.37Å; F1263-L1267 VanDerWaalsContact O-N 3.14Å; F1263-L1291 HydrophobicContact CD1-CD1 4.01Å; F1263-L1291 HydrophobicContact CD1-CD2 3.48Å; F1263-L1291 VanDerWaalsContact CD1-CD2 3.48Å; F1263-L1291 HydrophobicContact CD1-CG 4.4Å; F1263-L1291 HydrophobicContact CE1-CD2 3.52Å |
| 1264 | S | 80.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 175.2 | 77.7 | 0 | 0 | 0 | 0 | 112 | L1260 A1261 L1267 S1268 L1291 E1305 | L1260-S1264 PolarHBondContact O-N 2.93Å; A1261-S1264 PolarHBondContact O-OG 2.98Å; A1261-S1264 VanDerWaalsContact O-OG 3.07Å; S1264-L1267 PolarHBondContact O-N 3.24Å; S1264-S1268 WeakPolarHBondContact O-CB 3.46Å; S1264-S1268 PolarHBondContact O-N 3.06Å; S1264-S1268 PolarHBondContact O-OG 3.37Å; S1264-L1291 VanDerWaalsContact CA-CD1 3.48Å; S1264-L1291 VanDerWaalsContact CB-CD1 3.49Å; S1264-E1305 PolarHBondContact OG-OE2 2.76Å |
| 1265 | L | 81.8 | Confident | 75.4 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.5 | -169.7 | 69.3 | 0 | 0 | 0 | 112 | A1261 F1262 F1263 S1268 H1269 S1302 | A1261-L1265 VanDerWaalsContact O-CB 3.23Å; A1261-L1265 WeakPolarHBondContact O-CB 3.35Å; A1261-L1265 PolarHBondContact O-N 2.63Å; F1262-L1265 WeakPolarHBondContact O-CB 3.43Å; F1262-L1265 PolarHBondContact O-N 2.88Å; F1263-L1265 VanDerWaalsContact C-N 3.31Å; F1263-L1265 PolarHBondContact O-N 3.28Å; L1265-S1268 PolarHBondContact O-N 3.14Å; L1265-S1268 PolarHBondContact O-OG 3.27Å; L1265-H1269 VanDerWaalsContact CD1-CE1 3.44Å; L1265-H1269 WeakPolarHBondContact CD1-CE1 3.3Å; L1265-H1269 PolarHBondContact O-N 2.89Å; L1265-H1269 VanDerWaalsContact O-N 3.12Å; L1265-H1269 PolarHBondContact O-ND1 2.95Å; L1265-S1302 WeakPolarHBondContact CD1-OG 3.12Å |
| 1266 | V | 83.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | -179.6 | 176.3 | 0 | 0 | 0 | 0 | 111 | H1219 A1241 V1242 L1245 F1262 F1263 Y1270 | H1219-V1266 HydrophobicContact CB-CG2 4.14Å; H1219-V1266 WeakPolarHBondContact CD2-CG2 3.26Å; A1241-V1266 HydrophobicContact CB-CG1 3.97Å; V1242-V1266 HydrophobicContact CG2-CG1 3.93Å; L1245-V1266 HydrophobicContact CD1-CB 3.97Å; L1245-V1266 HydrophobicContact CD1-CG1 3.73Å; L1245-V1266 HydrophobicContact CD1-CG2 4Å; F1262-V1266 HydrophobicContact CD1-CG2 4.24Å; F1262-V1266 HydrophobicContact CD2-CG2 4.49Å; F1262-V1266 HydrophobicContact CE1-CG2 3.83Å; F1262-V1266 HydrophobicContact CE2-CG2 4.1Å; F1262-V1266 HydrophobicContact CZ-CG2 3.73Å; F1262-V1266 WeakPolarHBondContact O-CG2 3.42Å; F1262-V1266 PolarHBondContact O-N 3.28Å; F1263-V1266 PolarHBondContact O-N 3.38Å; V1266-Y1270 PolarHBondContact O-N 2.92Å |
| 1267 | L | 86.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 177.9 | -67 | 171.3 | 0 | 0 | 0 | 111.9 | V1242 F1263 S1264 Y1270 F1271 I1284 Q1287 L1288 L1291 | V1242-L1267 HydrophobicContact CG1-CD2 4.18Å; V1242-L1267 HydrophobicContact CG2-CD2 4.06Å; F1263-L1267 HydrophobicContact CD1-CD1 4.04Å; F1263-L1267 HydrophobicContact CE1-CD1 3.76Å; F1263-L1267 HydrophobicContact CE2-CD1 4.32Å; F1263-L1267 HydrophobicContact CG-CD1 4.46Å; F1263-L1267 HydrophobicContact CZ-CD1 3.9Å; F1263-L1267 WeakPolarHBondContact O-CG 3.47Å; F1263-L1267 PolarHBondContact O-N 3.37Å; F1263-L1267 VanDerWaalsContact O-N 3.14Å; S1264-L1267 PolarHBondContact O-N 3.24Å; L1267-Y1270 PolarHBondContact O-N 3.28Å; L1267-F1271 WeakPolarHBondContact O-CB 3.49Å; L1267-F1271 PolarHBondContact O-N 3.24Å; L1267-I1284 HydrophobicContact CB-CG2 4.04Å; L1267-I1284 HydrophobicContact CD2-CD1 3.94Å; L1267-I1284 HydrophobicContact CD2-CG2 3.67Å; L1267-I1284 HydrophobicContact CG-CG2 4.42Å; L1267-Q1287 HydrophobicContact CD1-CB 4.36Å; L1267-L1288 HydrophobicContact CB-CD1 3.84Å; L1267-L1291 HydrophobicContact CD1-CD1 3.96Å; L1267-L1291 HydrophobicContact CD1-CD2 4.48Å; L1267-L1291 HydrophobicContact CD1-CG 4.42Å |
| 1268 | S | 82.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | S1264 L1265 F1271 L1272 | S1264-S1268 WeakPolarHBondContact O-CB 3.46Å; S1264-S1268 PolarHBondContact O-N 3.06Å; S1264-S1268 PolarHBondContact O-OG 3.37Å; L1265-S1268 PolarHBondContact O-N 3.14Å; L1265-S1268 PolarHBondContact O-OG 3.27Å; S1268-F1271 PolarHBondContact O-N 2.95Å; S1268-L1272 WeakPolarHBondContact O-CB 3.28Å; S1268-L1272 VanDerWaalsContact O-CG 3.3Å; S1268-L1272 WeakPolarHBondContact O-CG 3.23Å; S1268-L1272 PolarHBondContact O-N 3.38Å |
| 1269 | H | 83.3 | Confident | 77.2 | Confident | 27 Ų | 27 | 26.3 Ų | 26.3 | 13% | 0.125 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 175.5 | -73 | 100.1 | 0 | 0 | 0 | 111.6 | H1219 L1238 L1265 L1272 I1273 | H1219-H1269 AromaticContact NE2-ND1 3.62Å; L1238-H1269 HydrophobicContact CD1-CB 3.76Å; L1238-H1269 HydrophobicContact CD2-CB 4.34Å; L1265-H1269 VanDerWaalsContact CD1-CE1 3.44Å; L1265-H1269 WeakPolarHBondContact CD1-CE1 3.3Å; L1265-H1269 PolarHBondContact O-N 2.89Å; L1265-H1269 VanDerWaalsContact O-N 3.12Å; L1265-H1269 PolarHBondContact O-ND1 2.95Å; H1269-L1272 PolarHBondContact O-N 2.85Å; H1269-I1273 WeakPolarHBondContact O-CG1 3.45Å; H1269-I1273 PolarHBondContact O-N 3.44Å |
| 1270 | Y | 86.7 | Confident | 77.8 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 177.3 | -178 | -106.1 | 0 | 0 | 0 | 110.9 | K1235 L1238 Q1239 V1242 V1266 L1267 L1272 I1273 T1274 D1281 I1284 | K1235-Y1270 HydrophobicContact CG-CE2 4.16Å; L1238-Y1270 HydrophobicContact CB-CD2 3.7Å; L1238-Y1270 HydrophobicContact CB-CG 4.4Å; Q1239-Y1270 HydrophobicContact CB-CD2 4.49Å; Q1239-Y1270 HydrophobicContact CB-CE2 3.71Å; Q1239-Y1270 HydrophobicContact CG-CE2 4.27Å; V1242-Y1270 HydrophobicContact CG2-CG 4.31Å; V1266-Y1270 PolarHBondContact O-N 2.92Å; L1267-Y1270 PolarHBondContact O-N 3.28Å; Y1270-L1272 PolarHBondContact O-N 2.86Å; Y1270-I1273 PolarHBondContact O-N 3.22Å; Y1270-T1274 HydrophobicContact CD1-CG2 4.02Å; Y1270-T1274 HydrophobicContact CD2-CG2 4.19Å; Y1270-T1274 HydrophobicContact CE1-CG2 3.66Å; Y1270-T1274 HydrophobicContact CE2-CG2 3.81Å; Y1270-T1274 HydrophobicContact CG-CG2 4.32Å; Y1270-T1274 VanDerWaalsContact O-CG2 3.25Å; Y1270-T1274 WeakPolarHBondContact O-CG2 3.37Å; Y1270-T1274 PolarHBondContact O-N 2.94Å; Y1270-T1274 PolarHBondContact O-OG1 2.92Å; Y1270-D1281 HydrophobicContact CE1-CB 3.91Å; Y1270-I1284 HydrophobicContact CD1-CB 4.06Å; Y1270-I1284 HydrophobicContact CD1-CG1 3.69Å; Y1270-I1284 HydrophobicContact CD1-CG2 3.92Å; Y1270-I1284 HydrophobicContact CE1-CB 4.38Å; Y1270-I1284 HydrophobicContact CE1-CG1 3.67Å |
| 1271 | F | 84.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.3 | -50.4 | 177.6 | 178.2 | -100.2 | 0 | 0 | 0 | 111.7 | L1267 S1268 I1273 T1274 Y1275 P1280 W1282 A1285 A1308 I1311 I1312 | L1267-F1271 WeakPolarHBondContact O-CB 3.49Å; L1267-F1271 PolarHBondContact O-N 3.24Å; S1268-F1271 PolarHBondContact O-N 2.95Å; F1271-I1273 VanDerWaalsContact C-N 3.33Å; F1271-I1273 PolarHBondContact O-N 3.05Å; F1271-T1274 WeakPolarHBondContact CA-OG1 3.19Å; F1271-T1274 PolarHBondContact O-N 3.23Å; F1271-T1274 VanDerWaalsContact O-N 3.16Å; F1271-T1274 PolarHBondContact O-OG1 3.23Å; F1271-Y1275 HydrophobicContact CZ-CD2 4.48Å; F1271-Y1275 PolarHBondContact O-N 3.24Å; F1271-P1280 HydrophobicContact CE2-CB 4.39Å; F1271-W1282 HydrophobicContact CE2-CE3 4Å; F1271-W1282 HydrophobicContact CE2-CZ3 4.02Å; F1271-W1282 HydrophobicContact CZ-CE3 4.31Å; F1271-W1282 HydrophobicContact CZ-CH2 4.35Å; F1271-W1282 AromaticContact CZ-CZ3 3.85Å; F1271-W1282 HydrophobicContact CZ-CZ3 3.85Å; F1271-A1285 HydrophobicContact CD2-CB 3.84Å; F1271-A1285 HydrophobicContact CE2-CB 3.69Å; F1271-A1285 HydrophobicContact CZ-CB 4.42Å; F1271-A1308 HydrophobicContact CD1-CB 3.87Å; F1271-I1311 HydrophobicContact CE1-CB 4.34Å; F1271-I1311 HydrophobicContact CE1-CG2 4.1Å; F1271-I1311 HydrophobicContact CZ-CG2 4.36Å; F1271-I1312 HydrophobicContact CD1-CD1 4.05Å; F1271-I1312 HydrophobicContact CD1-CG1 4.13Å; F1271-I1312 HydrophobicContact CE1-CD1 3.89Å; F1271-I1312 HydrophobicContact CE1-CG1 3.45Å; F1271-I1312 VanDerWaalsContact CE1-CG1 3.45Å; F1271-I1312 HydrophobicContact CE2-CD1 4.42Å; F1271-I1312 HydrophobicContact CE2-CG1 4.03Å; F1271-I1312 HydrophobicContact CG-CD1 4.38Å; F1271-I1312 HydrophobicContact CZ-CD1 4.09Å; F1271-I1312 HydrophobicContact CZ-CG1 3.39Å |
| 1272 | L | 79.2 | Confident | 79 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 13% | 0.126 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 179.2 | -73.2 | 171.6 | 0 | 0 | 0 | 112.5 | S1268 H1269 Y1270 Y1275 I1276 A1304 C1307 A1308 I1311 | S1268-L1272 WeakPolarHBondContact O-CB 3.28Å; S1268-L1272 VanDerWaalsContact O-CG 3.3Å; S1268-L1272 WeakPolarHBondContact O-CG 3.23Å; S1268-L1272 PolarHBondContact O-N 3.38Å; H1269-L1272 PolarHBondContact O-N 2.85Å; Y1270-L1272 PolarHBondContact O-N 2.86Å; L1272-Y1275 PolarHBondContact O-N 2.87Å; L1272-I1276 VanDerWaalsContact O-CG1 3.28Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.42Å; L1272-I1276 PolarHBondContact O-N 3.14Å; L1272-A1304 HydrophobicContact CD1-CB 3.98Å; L1272-C1307 HydrophobicContact CD2-CB 4.21Å; L1272-A1308 HydrophobicContact CD2-CB 4.31Å; L1272-A1308 HydrophobicContact CG-CB 4.17Å; L1272-I1311 HydrophobicContact CD2-CD1 3.79Å |
| 1273 | I | 77.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 177.6 | -65.7 | -169.6 | 0 | 0 | 0 | 111.4 | Q1226 S1231 A1234 K1235 L1238 H1269 Y1270 F1271 Y1275 I1276 C1277 | Q1226-I1273 HydrophobicContact CB-CD1 3.74Å; Q1226-I1273 HydrophobicContact CB-CG1 4.49Å; Q1226-I1273 HydrophobicContact CG-CD1 3.8Å; Q1226-I1273 HydrophobicContact CG-CG1 4Å; Q1226-I1273 VanDerWaalsContact OE1-CD1 3.24Å; S1231-I1273 WeakPolarHBondContact O-CG2 3.32Å; A1234-I1273 HydrophobicContact CB-CD1 3.42Å; A1234-I1273 VanDerWaalsContact CB-CD1 3.42Å; K1235-I1273 HydrophobicContact CB-CG2 3.76Å; L1238-I1273 HydrophobicContact CD1-CB 4.47Å; L1238-I1273 HydrophobicContact CD1-CD1 3.37Å; L1238-I1273 HydrophobicContact CD1-CG1 4.03Å; L1238-I1273 HydrophobicContact CG-CD1 4.44Å; H1269-I1273 WeakPolarHBondContact O-CG1 3.45Å; H1269-I1273 PolarHBondContact O-N 3.44Å; Y1270-I1273 PolarHBondContact O-N 3.22Å; F1271-I1273 VanDerWaalsContact C-N 3.33Å; F1271-I1273 PolarHBondContact O-N 3.05Å; I1273-Y1275 PolarHBondContact O-N 3Å; I1273-I1276 PolarHBondContact O-N 2.9Å; I1273-C1277 PolarHBondContact O-N 3.45Å; I1273-C1277 PolarHBondContact O-SG 2.96Å |
| 1274 | T | 80.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 111.9 | K1235 Y1270 F1271 C1277 G1278 S1279 D1281 | K1235-T1274 HydrophobicContact CD-CG2 4.34Å; K1235-T1274 HydrophobicContact CG-CG2 4.23Å; Y1270-T1274 HydrophobicContact CD1-CG2 4.02Å; Y1270-T1274 HydrophobicContact CD2-CG2 4.19Å; Y1270-T1274 HydrophobicContact CE1-CG2 3.66Å; Y1270-T1274 HydrophobicContact CE2-CG2 3.81Å; Y1270-T1274 HydrophobicContact CG-CG2 4.32Å; Y1270-T1274 VanDerWaalsContact O-CG2 3.25Å; Y1270-T1274 WeakPolarHBondContact O-CG2 3.37Å; Y1270-T1274 PolarHBondContact O-N 2.94Å; Y1270-T1274 PolarHBondContact O-OG1 2.92Å; F1271-T1274 WeakPolarHBondContact CA-OG1 3.19Å; F1271-T1274 PolarHBondContact O-N 3.23Å; F1271-T1274 VanDerWaalsContact O-N 3.16Å; F1271-T1274 PolarHBondContact O-OG1 3.23Å; T1274-C1277 PolarHBondContact O-N 3.35Å; T1274-G1278 PolarHBondContact O-N 2.78Å; T1274-S1279 WeakPolarHBondContact CB-O 3.34Å; T1274-S1279 CarbonylContact O-C 3.6Å; T1274-S1279 PolarHBondContact O-N 3.42Å; T1274-D1281 HydrophobicContact CG2-CB 4.22Å; T1274-D1281 PolarHBondContact OG1-N 2.91Å |
| 1275 | Y | 75.2 | Confident | 79.6 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 19% | 0.192 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 173.5 | -169.8 | -89.8 | 0 | 0 | 0 | 111.9 | F1271 L1272 I1273 C1277 G1278 P1280 I1311 M1485 | F1271-Y1275 HydrophobicContact CZ-CD2 4.48Å; F1271-Y1275 PolarHBondContact O-N 3.24Å; L1272-Y1275 PolarHBondContact O-N 2.87Å; I1273-Y1275 PolarHBondContact O-N 3Å; Y1275-C1277 VanDerWaalsContact C-N 3.28Å; Y1275-C1277 PolarHBondContact O-N 3.46Å; Y1275-G1278 PolarHBondContact O-N 2.88Å; Y1275-P1280 HydrophobicContact CD2-CB 4.02Å; Y1275-P1280 HydrophobicContact CD2-CG 4.47Å; Y1275-I1311 HydrophobicContact CD1-CD1 4.46Å; Y1275-I1311 HydrophobicContact CD1-CG2 4.39Å; Y1275-I1311 HydrophobicContact CD2-CG2 3.73Å; Y1275-I1311 HydrophobicContact CE1-CG2 4.16Å; Y1275-I1311 HydrophobicContact CE2-CG2 3.48Å; Y1275-I1311 VanDerWaalsContact CE2-CG2 3.48Å; Y1275-I1311 HydrophobicContact CG-CG2 4.2Å; Y1275-M1485 HydrophobicContact CE1-CE 4.44Å |
| 1276 | I | 65.8 | Low | 79.5 | Confident | 46 Ų | 46 | 33.8 Ų | 33.8 | 24% | 0.236 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -35 | 176.2 | -68 | 164.4 | 0 | 0 | 0 | 112 | L1272 I1273 G1278 | L1272-I1276 VanDerWaalsContact O-CG1 3.28Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.42Å; L1272-I1276 PolarHBondContact O-N 3.14Å; I1273-I1276 PolarHBondContact O-N 2.9Å; I1276-G1278 PolarHBondContact O-N 3.47Å |
| 1277 | C | 70.5 | Confident | 79.5 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 24% | 0.236 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.2 | 174.9 | -71.3 | 0 | 0 | 0 | 0 | 113.9 | I1273 T1274 Y1275 S1279 | I1273-C1277 PolarHBondContact O-N 3.45Å; I1273-C1277 PolarHBondContact O-SG 2.96Å; T1274-C1277 PolarHBondContact O-N 3.35Å; Y1275-C1277 VanDerWaalsContact C-N 3.28Å; Y1275-C1277 PolarHBondContact O-N 3.46Å; C1277-S1279 VanDerWaalsContact C-N 3.28Å; C1277-S1279 PolarHBondContact O-N 3.25Å |
| 1278 | G | 65.5 | Low | 79.3 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 55% | 0.546 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 7.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1274 Y1275 I1276 | T1274-G1278 PolarHBondContact O-N 2.78Å; Y1275-G1278 PolarHBondContact O-N 2.88Å; I1276-G1278 PolarHBondContact O-N 3.47Å |
| 1279 | S | 74.8 | Confident | 79 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | trans | -127.2 | 67.4 | -178.8 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | K1235 T1274 C1277 D1281 | K1235-S1279 PolarHBondContact NZ-OG 3.32Å; T1274-S1279 WeakPolarHBondContact CB-O 3.34Å; T1274-S1279 CarbonylContact O-C 3.6Å; T1274-S1279 PolarHBondContact O-N 3.42Å; C1277-S1279 VanDerWaalsContact C-N 3.28Å; C1277-S1279 PolarHBondContact O-N 3.25Å; S1279-D1281 PolarHBondContact O-N 2.7Å | ||
| 1280 | P | 78.9 | Confident | 78.6 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 25% | 0.247 | 22% | 0.219 | C | C | . | . | trans | -61.4 | 128.6 | -175.9 | 24.1 | -33.1 | 0 | 0 | 0 | 112 | F1271 Y1275 W1282 | F1271-P1280 HydrophobicContact CE2-CB 4.39Å; Y1275-P1280 HydrophobicContact CD2-CB 4.02Å; Y1275-P1280 HydrophobicContact CD2-CG 4.47Å; P1280-W1282 HydrophobicContact CB-CD2 4.43Å; P1280-W1282 HydrophobicContact CB-CZ2 3.92Å; P1280-W1282 HydrophobicContact CG-CZ2 3.75Å; P1280-W1282 PolarHBondContact O-N 3.22Å | ||
| 1281 | D | 83.5 | Confident | 77.9 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | trans | -87.5 | 91.8 | 174.3 | -169 | -14.1 | 0 | 0 | 0 | 110.5 | Y1270 T1274 S1279 K1283 I1284 A1285 | Y1270-D1281 HydrophobicContact CE1-CB 3.91Å; T1274-D1281 HydrophobicContact CG2-CB 4.22Å; T1274-D1281 PolarHBondContact OG1-N 2.91Å; S1279-D1281 PolarHBondContact O-N 2.7Å; D1281-K1283 PolarHBondContact O-N 3.33Å; D1281-K1283 WeakPolarHBondContact OD1-CB 3.24Å; D1281-K1283 PolarHBondContact OD1-N 3.42Å; D1281-K1283 VanDerWaalsContact OD1-N 3.09Å; D1281-I1284 HydrophobicContact CB-CB 4.44Å; D1281-I1284 HydrophobicContact CB-CG1 4.33Å; D1281-I1284 PolarHBondContact O-N 3.09Å; D1281-A1285 PolarHBondContact O-N 2.92Å | ||
| 1282 | W | 82.8 | Confident | 76.9 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -21.2 | -179.5 | -59.4 | 111.1 | 0 | 0 | 0 | 113.4 | F1271 P1280 I1284 A1285 E1286 M1315 H1316 P1317 | F1271-W1282 HydrophobicContact CE2-CE3 4Å; F1271-W1282 HydrophobicContact CE2-CZ3 4.02Å; F1271-W1282 HydrophobicContact CZ-CE3 4.31Å; F1271-W1282 HydrophobicContact CZ-CH2 4.35Å; F1271-W1282 AromaticContact CZ-CZ3 3.85Å; F1271-W1282 HydrophobicContact CZ-CZ3 3.85Å; P1280-W1282 HydrophobicContact CB-CD2 4.43Å; P1280-W1282 HydrophobicContact CB-CZ2 3.92Å; P1280-W1282 HydrophobicContact CG-CZ2 3.75Å; P1280-W1282 PolarHBondContact O-N 3.22Å; W1282-I1284 VanDerWaalsContact C-N 3.33Å; W1282-I1284 PolarHBondContact O-N 3.23Å; W1282-A1285 HydrophobicContact CE3-CB 4.07Å; W1282-A1285 VanDerWaalsContact O-CB 3.32Å; W1282-A1285 WeakPolarHBondContact O-CB 3.48Å; W1282-A1285 PolarHBondContact O-N 2.93Å; W1282-E1286 PolarHBondContact O-N 3.48Å; W1282-M1315 HydrophobicContact CH2-CB 4.13Å; W1282-M1315 WeakPolarHBondContact CH2-O 3.27Å; W1282-H1316 AromaticContact CE3-CD2 3.82Å; W1282-H1316 HydrophobicContact CZ3-CB 4.31Å; W1282-P1317 HydrophobicContact CD2-CG 4.19Å; W1282-P1317 HydrophobicContact CG-CG 4.27Å |
| 1283 | K | 84.1 | Confident | 75.9 | Confident | 160 Ų | 160 | 52.8 Ų | 52.8 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.6 | -37.3 | 174 | -65.3 | -179.1 | 177.5 | 179.4 | 0 | 111.5 | D1281 A1285 E1286 Q1287 | D1281-K1283 PolarHBondContact O-N 3.33Å; D1281-K1283 WeakPolarHBondContact OD1-CB 3.24Å; D1281-K1283 PolarHBondContact OD1-N 3.42Å; D1281-K1283 VanDerWaalsContact OD1-N 3.09Å; K1283-A1285 VanDerWaalsContact C-N 3.35Å; K1283-E1286 PolarHBondContact O-N 3.39Å; K1283-Q1287 WeakPolarHBondContact O-CG 3.25Å; K1283-Q1287 PolarHBondContact O-N 3.27Å |
| 1284 | I | 83.5 | Confident | 74.8 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.046 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.3 | -32.6 | 173.8 | -62.7 | -62.5 | 0 | 0 | 0 | 110.9 | V1242 L1267 Y1270 D1281 W1282 E1286 Q1287 L1288 | V1242-I1284 HydrophobicContact CG1-CD1 3.93Å; L1267-I1284 HydrophobicContact CB-CG2 4.04Å; L1267-I1284 HydrophobicContact CD2-CD1 3.94Å; L1267-I1284 HydrophobicContact CD2-CG2 3.67Å; L1267-I1284 HydrophobicContact CG-CG2 4.42Å; Y1270-I1284 HydrophobicContact CD1-CB 4.06Å; Y1270-I1284 HydrophobicContact CD1-CG1 3.69Å; Y1270-I1284 HydrophobicContact CD1-CG2 3.92Å; Y1270-I1284 HydrophobicContact CE1-CB 4.38Å; Y1270-I1284 HydrophobicContact CE1-CG1 3.67Å; D1281-I1284 HydrophobicContact CB-CB 4.44Å; D1281-I1284 HydrophobicContact CB-CG1 4.33Å; D1281-I1284 PolarHBondContact O-N 3.09Å; W1282-I1284 VanDerWaalsContact C-N 3.33Å; W1282-I1284 PolarHBondContact O-N 3.23Å; I1284-E1286 VanDerWaalsContact C-N 3.35Å; I1284-Q1287 VanDerWaalsContact CD1-OE1 3.23Å; I1284-Q1287 PolarHBondContact O-N 2.84Å; I1284-L1288 WeakPolarHBondContact O-CB 3.49Å; I1284-L1288 PolarHBondContact O-N 3.04Å |
| 1285 | A | 80.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1271 D1281 W1282 K1283 L1288 L1289 I1312 | F1271-A1285 HydrophobicContact CD2-CB 3.84Å; F1271-A1285 HydrophobicContact CE2-CB 3.69Å; F1271-A1285 HydrophobicContact CZ-CB 4.42Å; D1281-A1285 PolarHBondContact O-N 2.92Å; W1282-A1285 HydrophobicContact CE3-CB 4.07Å; W1282-A1285 VanDerWaalsContact O-CB 3.32Å; W1282-A1285 WeakPolarHBondContact O-CB 3.48Å; W1282-A1285 PolarHBondContact O-N 2.93Å; K1283-A1285 VanDerWaalsContact C-N 3.35Å; A1285-L1288 WeakPolarHBondContact O-CB 3.11Å; A1285-L1288 PolarHBondContact O-N 2.68Å; A1285-L1289 WeakPolarHBondContact O-CG 3.22Å; A1285-L1289 PolarHBondContact O-N 3.48Å; A1285-I1312 HydrophobicContact CB-CD1 3.66Å; A1285-I1312 HydrophobicContact CB-CG1 3.88Å; A1285-I1312 HydrophobicContact CB-CG2 4.48Å |
| 1286 | E | 81.2 | Confident | 72.9 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 173.4 | -71.8 | 178.3 | -178.3 | 0 | 0 | 112.1 | W1282 K1283 I1284 L1288 L1289 N1290 | W1282-E1286 PolarHBondContact O-N 3.48Å; K1283-E1286 PolarHBondContact O-N 3.39Å; I1284-E1286 VanDerWaalsContact C-N 3.35Å; E1286-L1288 VanDerWaalsContact C-N 3.3Å; E1286-L1288 PolarHBondContact O-N 3.29Å; E1286-L1289 PolarHBondContact O-N 3.11Å; E1286-N1290 VanDerWaalsContact O-CB 3.29Å; E1286-N1290 WeakPolarHBondContact O-CB 3.09Å; E1286-N1290 VanDerWaalsContact O-CG 3.23Å; E1286-N1290 PolarHBondContact O-N 3.46Å; E1286-N1290 PolarHBondContact O-ND2 2.93Å |
| 1287 | Q | 82.2 | Confident | 72.9 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 175.1 | -75.1 | -177.3 | 2.1 | 0 | 0 | 111.7 | L1267 K1283 I1284 N1290 L1291 | L1267-Q1287 HydrophobicContact CD1-CB 4.36Å; K1283-Q1287 WeakPolarHBondContact O-CG 3.25Å; K1283-Q1287 PolarHBondContact O-N 3.27Å; I1284-Q1287 VanDerWaalsContact CD1-OE1 3.23Å; I1284-Q1287 PolarHBondContact O-N 2.84Å; Q1287-N1290 PolarHBondContact O-N 3.15Å; Q1287-L1291 WeakPolarHBondContact O-CG 3.41Å; Q1287-L1291 PolarHBondContact O-N 3.38Å |
| 1288 | L | 81.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177 | -173.9 | 106.2 | 0 | 0 | 0 | 111.8 | L1267 I1284 A1285 E1286 N1290 L1291 A1308 K1309 I1312 | L1267-L1288 HydrophobicContact CB-CD1 3.84Å; I1284-L1288 WeakPolarHBondContact O-CB 3.49Å; I1284-L1288 PolarHBondContact O-N 3.04Å; A1285-L1288 WeakPolarHBondContact O-CB 3.11Å; A1285-L1288 PolarHBondContact O-N 2.68Å; E1286-L1288 VanDerWaalsContact C-N 3.3Å; E1286-L1288 PolarHBondContact O-N 3.29Å; L1288-N1290 VanDerWaalsContact C-N 3.34Å; L1288-L1291 PolarHBondContact O-N 3.23Å; L1288-A1308 HydrophobicContact CD2-CB 4.26Å; L1288-K1309 HydrophobicContact CD2-CG 3.81Å; L1288-I1312 HydrophobicContact CD2-CD1 3.83Å |
| 1289 | L | 76.5 | Confident | 73 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 177 | -68.2 | 179.3 | 0 | 0 | 0 | 112.5 | A1285 E1286 L1291 T1292 P1295 K1309 I1312 F1313 | A1285-L1289 WeakPolarHBondContact O-CG 3.22Å; A1285-L1289 PolarHBondContact O-N 3.48Å; E1286-L1289 PolarHBondContact O-N 3.11Å; L1289-L1291 VanDerWaalsContact C-N 3.3Å; L1289-L1291 PolarHBondContact O-N 3.46Å; L1289-T1292 PolarHBondContact O-OG1 2.82Å; L1289-P1295 HydrophobicContact CB-CB 4.49Å; L1289-K1309 HydrophobicContact CD2-CG 4.27Å; L1289-I1312 HydrophobicContact CD1-CG2 3.81Å; L1289-I1312 HydrophobicContact CG-CG2 4.34Å; L1289-F1313 HydrophobicContact CD2-CE1 4.08Å; L1289-F1313 HydrophobicContact CD2-CZ 4Å |
| 1290 | N | 76.2 | Confident | 72.9 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7.8 | 179.5 | -73.5 | -29.6 | 0 | 0 | 0 | 114.3 | E1286 Q1287 L1288 T1292 | E1286-N1290 VanDerWaalsContact O-CB 3.29Å; E1286-N1290 WeakPolarHBondContact O-CB 3.09Å; E1286-N1290 VanDerWaalsContact O-CG 3.23Å; E1286-N1290 PolarHBondContact O-N 3.46Å; E1286-N1290 PolarHBondContact O-ND2 2.93Å; Q1287-N1290 PolarHBondContact O-N 3.15Å; L1288-N1290 VanDerWaalsContact C-N 3.34Å; N1290-T1292 VanDerWaalsContact C-N 3.31Å |
| 1291 | L | 70.9 | Confident | 72.6 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -34.9 | 174.7 | -67.2 | -171.9 | 0 | 0 | 0 | 112.4 | F1263 S1264 L1267 Q1287 L1288 L1289 | F1263-L1291 HydrophobicContact CD1-CD1 4.01Å; F1263-L1291 HydrophobicContact CD1-CD2 3.48Å; F1263-L1291 VanDerWaalsContact CD1-CD2 3.48Å; F1263-L1291 HydrophobicContact CD1-CG 4.4Å; F1263-L1291 HydrophobicContact CE1-CD2 3.52Å; S1264-L1291 VanDerWaalsContact CA-CD1 3.48Å; S1264-L1291 VanDerWaalsContact CB-CD1 3.49Å; L1267-L1291 HydrophobicContact CD1-CD1 3.96Å; L1267-L1291 HydrophobicContact CD1-CD2 4.48Å; L1267-L1291 HydrophobicContact CD1-CG 4.42Å; Q1287-L1291 WeakPolarHBondContact O-CG 3.41Å; Q1287-L1291 PolarHBondContact O-N 3.38Å; L1288-L1291 PolarHBondContact O-N 3.23Å; L1289-L1291 VanDerWaalsContact C-N 3.3Å; L1289-L1291 PolarHBondContact O-N 3.46Å |
| 1292 | T | 63.6 | Low | 72 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -91.2 | 139.5 | 176 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | L1289 N1290 N1294 S1297 | L1289-T1292 PolarHBondContact O-OG1 2.82Å; N1290-T1292 VanDerWaalsContact C-N 3.31Å; T1292-N1294 PolarHBondContact O-N 3.23Å; T1292-N1294 PolarHBondContact OG1-O 2.96Å; T1292-S1297 WeakPolarHBondContact CB-OG 3.17Å; T1292-S1297 PolarHBondContact OG1-OG 3.43Å |
| 1293 | K | 57.4 | Low | 71.2 | Confident | 216 Ų | 216 | 61.6 Ų | 61.6 | 94% | 0.939 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -54 | -23.2 | -177.7 | -71 | -177.8 | 179.1 | 177.4 | 0 | 113.8 | ||
| 1294 | N | 55.8 | Low | 70.6 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -114 | 119.3 | 173.4 | -74.8 | -13.8 | 0 | 0 | 0 | 109.8 | T1292 N1296 S1297 | T1292-N1294 PolarHBondContact O-N 3.23Å; T1292-N1294 PolarHBondContact OG1-O 2.96Å; N1294-N1296 PolarHBondContact O-N 3.28Å; N1294-S1297 VanDerWaalsContact O-CB 3.24Å; N1294-S1297 WeakPolarHBondContact O-CB 3.44Å; N1294-S1297 PolarHBondContact O-N 3.21Å; N1294-S1297 PolarHBondContact O-OG 2.9Å; N1294-S1297 VanDerWaalsContact O-OG 3.12Å |
| 1295 | P | 57.4 | Low | 70.3 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.9 | 176.4 | 24 | -32.7 | 0 | 0 | 0 | 113 | L1289 S1297 | L1289-P1295 HydrophobicContact CB-CB 4.49Å; P1295-S1297 VanDerWaalsContact C-N 3.32Å |
| 1296 | N | 57.1 | Low | 69.9 | Low | 91 Ų | 91 | 54.4 Ų | 54.4 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 12.9 | 173.6 | -65.7 | -11.6 | 0 | 0 | 0 | 113.4 | N1294 T1298 L1325 | N1294-N1296 PolarHBondContact O-N 3.28Å; N1296-T1298 PolarHBondContact O-N 3.49Å; N1296-L1325 HydrophobicContact CB-CD1 4.22Å |
| 1297 | S | 67.4 | Low | 69.4 | Low | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | trans | -68.5 | 120.4 | 178.2 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | T1292 N1294 P1295 F1299 | T1292-S1297 WeakPolarHBondContact CB-OG 3.17Å; T1292-S1297 PolarHBondContact OG1-OG 3.43Å; N1294-S1297 VanDerWaalsContact O-CB 3.24Å; N1294-S1297 WeakPolarHBondContact O-CB 3.44Å; N1294-S1297 PolarHBondContact O-N 3.21Å; N1294-S1297 PolarHBondContact O-OG 2.9Å; N1294-S1297 VanDerWaalsContact O-OG 3.12Å; P1295-S1297 VanDerWaalsContact C-N 3.32Å; S1297-F1299 PolarHBondContact O-N 2.86Å | ||
| 1298 | T | 64.6 | Low | 69.1 | Low | 32 Ų | 32 | 48.2 Ų | 48.2 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | trans | -75.8 | -12.1 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | N1296 C1300 L1325 I1328 E1333 | N1296-T1298 PolarHBondContact O-N 3.49Å; T1298-C1300 PolarHBondContact O-N 3.5Å; T1298-C1300 PolarHBondContact O-SG 2.92Å; T1298-L1325 HydrophobicContact CG2-CB 4.39Å; T1298-L1325 HydrophobicContact CG2-CD2 3.42Å; T1298-L1325 VanDerWaalsContact CG2-CD2 3.42Å; T1298-I1328 HydrophobicContact CG2-CB 3.98Å; T1298-I1328 HydrophobicContact CG2-CG2 3.56Å; T1298-E1333 WeakPolarHBondContact O-CG 3.37Å | ||
| 1299 | F | 72.4 | Confident | 69 | Low | 90 Ų | 90 | 48.2 Ų | 48.2 | 40% | 0.395 | 25% | 0.253 | S | S | . | . | trans | -61.2 | 122.2 | -179.2 | -164 | -91.4 | 0 | 0 | 0 | 111.5 | S1297 H1301 K1309 | S1297-F1299 PolarHBondContact O-N 2.86Å; F1299-H1301 AromaticContact CE1-CE1 3.9Å; F1299-K1309 PolarHBondContact O-NZ 3.34Å | ||
| 1300 | C | 73 | Confident | 68.8 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -117.7 | 138.2 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | T1298 E1305 A1306 E1333 R1336 | T1298-C1300 PolarHBondContact O-N 3.5Å; T1298-C1300 PolarHBondContact O-SG 2.92Å; C1300-E1305 HydrophobicContact CB-CB 4.18Å; C1300-E1305 HydrophobicContact CB-CG 4.21Å; C1300-A1306 HydrophobicContact CB-CB 3.9Å; C1300-A1306 WeakPolarHBondContact SG-CA 3.44Å; C1300-E1333 PolarHBondContact N-OE2 3.49Å; C1300-R1336 PolarHBondContact O-NH2 2.92Å | ||
| 1301 | H | 71.9 | Confident | 68.5 | Low | 83 Ų | 83 | 43 Ų | 43 | 38% | 0.384 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -84.4 | -21.2 | 173.8 | -68.1 | -76.3 | 0 | 0 | 0 | 112.5 | F1299 E1305 | F1299-H1301 AromaticContact CE1-CE1 3.9Å; H1301-E1305 WeakPolarHBondContact CB-OE2 3.37Å; H1301-E1305 IonicContact CD2-OE2 3.67Å; H1301-E1305 IonicContact CG-OE2 3.69Å; H1301-E1305 PolarHBondContact N-OE2 3.09Å |
| 1302 | S | 71.3 | Confident | 68.9 | Low | 21 Ų | 21 | 41.2 Ų | 41.2 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -142.3 | 160 | -177.9 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | L1265 A1304 E1305 A1306 | L1265-S1302 WeakPolarHBondContact CD1-OG 3.12Å; S1302-A1304 VanDerWaalsContact C-N 3.27Å; S1302-A1304 PolarHBondContact O-N 2.88Å; S1302-E1305 WeakPolarHBondContact O-CB 3.43Å; S1302-E1305 PolarHBondContact O-N 3.36Å; S1302-E1305 WeakPolarHBondContact OG-CB 3.29Å; S1302-E1305 PolarHBondContact OG-N 3.05Å; S1302-E1305 VanDerWaalsContact OG-N 3.1Å; S1302-A1306 PolarHBondContact O-N 2.71Å |
| 1303 | L | 66.5 | Low | 69.5 | Low | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.3 | -33.4 | 176.1 | -158.7 | 151.6 | 0 | 0 | 0 | 111.2 | E1305 A1306 C1307 I1334 L1337 T1345 A1348 | L1303-E1305 VanDerWaalsContact C-N 3.34Å; L1303-A1306 PolarHBondContact O-N 2.96Å; L1303-C1307 PolarHBondContact O-N 2.88Å; L1303-C1307 PolarHBondContact O-SG 3.43Å; L1303-C1307 VanDerWaalsContact O-SG 3.42Å; L1303-I1334 HydrophobicContact CD1-CG2 4.3Å; L1303-L1337 HydrophobicContact CB-CD1 4.11Å; L1303-T1345 HydrophobicContact CB-CG2 3.94Å; L1303-T1345 HydrophobicContact CD1-CG2 3.48Å; L1303-T1345 VanDerWaalsContact CD1-CG2 3.48Å; L1303-T1345 HydrophobicContact CG-CG2 4.27Å; L1303-A1348 HydrophobicContact CD1-CB 4.45Å |
| 1304 | A | 72.3 | Confident | 70 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1272 S1302 A1308 | L1272-A1304 HydrophobicContact CD1-CB 3.98Å; S1302-A1304 VanDerWaalsContact C-N 3.27Å; S1302-A1304 PolarHBondContact O-N 2.88Å; A1304-A1308 WeakPolarHBondContact O-CB 3.48Å; A1304-A1308 PolarHBondContact O-N 3.41Å |
| 1305 | E | 75.9 | Confident | 70.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 174.4 | -170.9 | -178.5 | 169.8 | 0 | 0 | 111.8 | S1264 C1300 H1301 S1302 L1303 A1308 K1309 | S1264-E1305 PolarHBondContact OG-OE2 2.76Å; C1300-E1305 HydrophobicContact CB-CB 4.18Å; C1300-E1305 HydrophobicContact CB-CG 4.21Å; H1301-E1305 WeakPolarHBondContact CB-OE2 3.37Å; H1301-E1305 IonicContact CD2-OE2 3.67Å; H1301-E1305 IonicContact CG-OE2 3.69Å; H1301-E1305 PolarHBondContact N-OE2 3.09Å; S1302-E1305 WeakPolarHBondContact O-CB 3.43Å; S1302-E1305 PolarHBondContact O-N 3.36Å; S1302-E1305 WeakPolarHBondContact OG-CB 3.29Å; S1302-E1305 PolarHBondContact OG-N 3.05Å; S1302-E1305 VanDerWaalsContact OG-N 3.1Å; L1303-E1305 VanDerWaalsContact C-N 3.34Å; E1305-A1308 PolarHBondContact O-N 2.86Å; E1305-K1309 HydrophobicContact CG-CD 4.3Å; E1305-K1309 HydrophobicContact CG-CG 4.41Å; E1305-K1309 WeakPolarHBondContact O-CB 3.46Å; E1305-K1309 WeakPolarHBondContact O-CG 3.36Å; E1305-K1309 PolarHBondContact O-N 3.48Å; E1305-K1309 WeakPolarHBondContact OE1-CE 3.48Å; E1305-K1309 IonicContact OE1-NZ 3.93Å; E1305-K1309 PolarHBondContact OE1-NZ 3.1Å |
| 1306 | A | 72.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1300 S1302 L1303 G1310 E1333 I1334 L1337 | C1300-A1306 HydrophobicContact CB-CB 3.9Å; C1300-A1306 WeakPolarHBondContact SG-CA 3.44Å; S1302-A1306 PolarHBondContact O-N 2.71Å; L1303-A1306 PolarHBondContact O-N 2.96Å; A1306-G1310 PolarHBondContact O-N 2.99Å; A1306-E1333 HydrophobicContact CB-CB 4.5Å; A1306-I1334 HydrophobicContact CB-CG1 4.45Å; A1306-L1337 HydrophobicContact CB-CD1 4.36Å |
| 1307 | C | 71.2 | Confident | 71.5 | Confident | 26 Ų | 26 | 25.4 Ų | 25.4 | 18% | 0.176 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 173.9 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | L1272 L1303 G1310 I1311 | L1272-C1307 HydrophobicContact CD2-CB 4.21Å; L1303-C1307 PolarHBondContact O-N 2.88Å; L1303-C1307 PolarHBondContact O-SG 3.43Å; L1303-C1307 VanDerWaalsContact O-SG 3.42Å; C1307-G1310 PolarHBondContact O-N 2.94Å; C1307-I1311 VanDerWaalsContact O-CG1 3.31Å; C1307-I1311 WeakPolarHBondContact O-CG1 3.24Å; C1307-I1311 PolarHBondContact O-N 3.37Å |
| 1308 | A | 76.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -52.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1271 L1272 L1288 A1304 E1305 G1310 I1311 I1312 | F1271-A1308 HydrophobicContact CD1-CB 3.87Å; L1272-A1308 HydrophobicContact CD2-CB 4.31Å; L1272-A1308 HydrophobicContact CG-CB 4.17Å; L1288-A1308 HydrophobicContact CD2-CB 4.26Å; A1304-A1308 WeakPolarHBondContact O-CB 3.48Å; A1304-A1308 PolarHBondContact O-N 3.41Å; E1305-A1308 PolarHBondContact O-N 2.86Å; A1308-G1310 VanDerWaalsContact C-N 3.34Å; A1308-G1310 PolarHBondContact O-N 3.34Å; A1308-I1311 PolarHBondContact O-N 2.88Å; A1308-I1312 WeakPolarHBondContact O-CB 3.49Å; A1308-I1312 WeakPolarHBondContact O-CD1 3.44Å; A1308-I1312 WeakPolarHBondContact O-CG1 3.17Å; A1308-I1312 PolarHBondContact O-N 3.4Å |
| 1309 | K | 79.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 176.6 | -72.4 | -171.6 | -172.3 | 168.6 | 0 | 112.1 | L1288 L1289 F1299 E1305 I1311 I1312 F1313 | L1288-K1309 HydrophobicContact CD2-CG 3.81Å; L1289-K1309 HydrophobicContact CD2-CG 4.27Å; F1299-K1309 PolarHBondContact O-NZ 3.34Å; E1305-K1309 HydrophobicContact CG-CD 4.3Å; E1305-K1309 HydrophobicContact CG-CG 4.41Å; E1305-K1309 WeakPolarHBondContact O-CB 3.46Å; E1305-K1309 WeakPolarHBondContact O-CG 3.36Å; E1305-K1309 PolarHBondContact O-N 3.48Å; E1305-K1309 WeakPolarHBondContact OE1-CE 3.48Å; E1305-K1309 IonicContact OE1-NZ 3.93Å; E1305-K1309 PolarHBondContact OE1-NZ 3.1Å; K1309-I1311 PolarHBondContact O-N 3.42Å; K1309-I1312 PolarHBondContact O-N 3.06Å; K1309-F1313 HydrophobicContact CB-CD2 4.26Å; K1309-F1313 HydrophobicContact CB-CE2 3.92Å; K1309-F1313 WeakPolarHBondContact O-CB 3.49Å; K1309-F1313 WeakPolarHBondContact O-CD2 3.41Å; K1309-F1313 WeakPolarHBondContact O-CG 3.46Å; K1309-F1313 PolarHBondContact O-N 3.32Å |
| 1310 | G | 71.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1306 C1307 A1308 T1314 | A1306-G1310 PolarHBondContact O-N 2.99Å; C1307-G1310 PolarHBondContact O-N 2.94Å; A1308-G1310 VanDerWaalsContact C-N 3.34Å; A1308-G1310 PolarHBondContact O-N 3.34Å; G1310-T1314 WeakPolarHBondContact O-CG2 3.49Å; G1310-T1314 PolarHBondContact O-N 3.49Å; G1310-T1314 PolarHBondContact O-OG1 3.13Å |
| 1311 | I | 71.1 | Confident | 69.9 | Low | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | 174.7 | -67 | 166.2 | 0 | 0 | 0 | 110.6 | F1271 L1272 Y1275 C1307 A1308 K1309 T1314 M1315 I1363 | F1271-I1311 HydrophobicContact CE1-CB 4.34Å; F1271-I1311 HydrophobicContact CE1-CG2 4.1Å; F1271-I1311 HydrophobicContact CZ-CG2 4.36Å; L1272-I1311 HydrophobicContact CD2-CD1 3.79Å; Y1275-I1311 HydrophobicContact CD1-CD1 4.46Å; Y1275-I1311 HydrophobicContact CD1-CG2 4.39Å; Y1275-I1311 HydrophobicContact CD2-CG2 3.73Å; Y1275-I1311 HydrophobicContact CE1-CG2 4.16Å; Y1275-I1311 HydrophobicContact CE2-CG2 3.48Å; Y1275-I1311 VanDerWaalsContact CE2-CG2 3.48Å; Y1275-I1311 HydrophobicContact CG-CG2 4.2Å; C1307-I1311 VanDerWaalsContact O-CG1 3.31Å; C1307-I1311 WeakPolarHBondContact O-CG1 3.24Å; C1307-I1311 PolarHBondContact O-N 3.37Å; A1308-I1311 PolarHBondContact O-N 2.88Å; K1309-I1311 PolarHBondContact O-N 3.42Å; I1311-T1314 WeakPolarHBondContact CA-OG1 3.39Å; I1311-T1314 PolarHBondContact O-N 2.78Å; I1311-T1314 PolarHBondContact O-OG1 2.63Å; I1311-M1315 WeakPolarHBondContact O-CB 3.41Å; I1311-M1315 PolarHBondContact O-N 2.77Å; I1311-I1363 HydrophobicContact CG1-CD1 4.33Å |
| 1312 | I | 77.7 | Confident | 69.7 | Low | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -50 | 177.3 | -67.2 | 162.2 | 0 | 0 | 0 | 110.5 | F1271 A1285 L1288 L1289 A1308 K1309 T1314 M1315 H1316 | F1271-I1312 HydrophobicContact CD1-CD1 4.05Å; F1271-I1312 HydrophobicContact CD1-CG1 4.13Å; F1271-I1312 HydrophobicContact CE1-CD1 3.89Å; F1271-I1312 HydrophobicContact CE1-CG1 3.45Å; F1271-I1312 VanDerWaalsContact CE1-CG1 3.45Å; F1271-I1312 HydrophobicContact CE2-CD1 4.42Å; F1271-I1312 HydrophobicContact CE2-CG1 4.03Å; F1271-I1312 HydrophobicContact CG-CD1 4.38Å; F1271-I1312 HydrophobicContact CZ-CD1 4.09Å; F1271-I1312 HydrophobicContact CZ-CG1 3.39Å; A1285-I1312 HydrophobicContact CB-CD1 3.66Å; A1285-I1312 HydrophobicContact CB-CG1 3.88Å; A1285-I1312 HydrophobicContact CB-CG2 4.48Å; L1288-I1312 HydrophobicContact CD2-CD1 3.83Å; L1289-I1312 HydrophobicContact CD1-CG2 3.81Å; L1289-I1312 HydrophobicContact CG-CG2 4.34Å; A1308-I1312 WeakPolarHBondContact O-CB 3.49Å; A1308-I1312 WeakPolarHBondContact O-CD1 3.44Å; A1308-I1312 WeakPolarHBondContact O-CG1 3.17Å; A1308-I1312 PolarHBondContact O-N 3.4Å; K1309-I1312 PolarHBondContact O-N 3.06Å; I1312-T1314 PolarHBondContact O-N 3.39Å; I1312-M1315 PolarHBondContact O-N 3.37Å; I1312-H1316 HydrophobicContact CG2-CB 4.33Å; I1312-H1316 WeakPolarHBondContact O-CB 3.31Å; I1312-H1316 PolarHBondContact O-N 3.48Å |
| 1313 | F | 76.3 | Confident | 69.2 | Low | 13 Ų | 13 | 39.6 Ų | 39.6 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -22.6 | -179.9 | -67.5 | -45.2 | 0 | 0 | 0 | 114.2 | L1289 K1309 Q1322 L1325 C1329 | L1289-F1313 HydrophobicContact CD2-CE1 4.08Å; L1289-F1313 HydrophobicContact CD2-CZ 4Å; K1309-F1313 HydrophobicContact CB-CD2 4.26Å; K1309-F1313 HydrophobicContact CB-CE2 3.92Å; K1309-F1313 WeakPolarHBondContact O-CB 3.49Å; K1309-F1313 WeakPolarHBondContact O-CD2 3.41Å; K1309-F1313 WeakPolarHBondContact O-CG 3.46Å; K1309-F1313 PolarHBondContact O-N 3.32Å; F1313-Q1322 HydrophobicContact CB-CB 4.44Å; F1313-Q1322 VanDerWaalsContact CD1-OE1 3.3Å; F1313-Q1322 PolarHBondContact O-N 3.13Å; F1313-L1325 HydrophobicContact CB-CB 4.45Å; F1313-L1325 HydrophobicContact CD1-CB 4.44Å; F1313-L1325 HydrophobicContact CD2-CB 3.94Å; F1313-L1325 HydrophobicContact CE2-CB 4.28Å; F1313-L1325 HydrophobicContact CG-CB 4.04Å; F1313-C1329 VanDerWaalsContact CE2-SG 3.53Å |
| 1314 | T | 68.6 | Low | 69.1 | Low | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -86.1 | -37.8 | 174.8 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | G1310 I1311 I1312 S1326 L1360 | G1310-T1314 WeakPolarHBondContact O-CG2 3.49Å; G1310-T1314 PolarHBondContact O-N 3.49Å; G1310-T1314 PolarHBondContact O-OG1 3.13Å; I1311-T1314 WeakPolarHBondContact CA-OG1 3.39Å; I1311-T1314 PolarHBondContact O-N 2.78Å; I1311-T1314 PolarHBondContact O-OG1 2.63Å; I1312-T1314 PolarHBondContact O-N 3.39Å; T1314-S1326 WeakPolarHBondContact CG2-OG 3.34Å; T1314-L1360 HydrophobicContact CG2-CD1 4.1Å |
| 1315 | M | 67.8 | Low | 69.1 | Low | 50 Ų | 50 | 44.4 Ų | 44.4 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -122.2 | 0.8 | -162.7 | -69.5 | -66.7 | 175 | 0 | 0 | 115 | W1282 I1311 I1312 P1317 I1363 N1367 | W1282-M1315 HydrophobicContact CH2-CB 4.13Å; W1282-M1315 WeakPolarHBondContact CH2-O 3.27Å; I1311-M1315 WeakPolarHBondContact O-CB 3.41Å; I1311-M1315 PolarHBondContact O-N 2.77Å; I1312-M1315 PolarHBondContact O-N 3.37Å; M1315-P1317 WeakPolarHBondContact O-CD 3.39Å; M1315-I1363 HydrophobicContact CE-CG2 3.18Å; M1315-I1363 HydrophobicContact CG-CG2 4.39Å; M1315-N1367 WeakPolarHBondContact CE-ND2 3.23Å |
| 1316 | H | 73.8 | Confident | 68.7 | Low | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | trans | -59.5 | 122.5 | -179.4 | -166.9 | -75.9 | 0 | 0 | 0 | 110.6 | W1282 I1312 D1318 H1319 | W1282-H1316 AromaticContact CE3-CD2 3.82Å; W1282-H1316 HydrophobicContact CZ3-CB 4.31Å; I1312-H1316 HydrophobicContact CG2-CB 4.33Å; I1312-H1316 WeakPolarHBondContact O-CB 3.31Å; I1312-H1316 PolarHBondContact O-N 3.48Å; H1316-D1318 VanDerWaalsContact C-N 3.28Å; H1316-D1318 IonicContact CE1-OD2 2.74Å; H1316-D1318 PolarHBondContact ND1-N 3.41Å; H1316-D1318 VanDerWaalsContact ND1-N 3.19Å; H1316-D1318 PolarHBondContact O-N 2.91Å; H1316-H1319 HydrophobicContact CB-CB 4.16Å; H1316-H1319 AromaticContact CE1-CD2 3.77Å; H1316-H1319 AromaticContact CG-CD2 3.85Å; H1316-H1319 AromaticContact ND1-CD2 3.49Å; H1316-H1319 PolarHBondContact ND1-CD2 3.41Å; H1316-H1319 PolarHBondContact ND1-N 3.37Å; H1316-H1319 PolarHBondContact O-N 2.91Å | ||
| 1317 | P | 60.9 | Low | 68.4 | Low | 83 Ų | 83 | 47.7 Ų | 47.7 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.4 | -172.5 | 22.2 | -32.3 | 0 | 0 | 0 | 113 | W1282 M1315 | W1282-P1317 HydrophobicContact CD2-CG 4.19Å; W1282-P1317 HydrophobicContact CG-CG 4.27Å; M1315-P1317 WeakPolarHBondContact O-CD 3.39Å |
| 1318 | D | 63.6 | Low | 68.4 | Low | 123 Ų | 123 | 48.4 Ų | 48.4 | 66% | 0.658 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -8.8 | -176.6 | -53.1 | -44.3 | 0 | 0 | 0 | 114.4 | H1316 | H1316-D1318 VanDerWaalsContact C-N 3.28Å; H1316-D1318 IonicContact CE1-OD2 2.74Å; H1316-D1318 PolarHBondContact ND1-N 3.41Å; H1316-D1318 VanDerWaalsContact ND1-N 3.19Å; H1316-D1318 PolarHBondContact O-N 2.91Å |
| 1319 | H | 62.2 | Low | 68.2 | Low | 101 Ų | 101 | 48.4 Ų | 48.4 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -115.2 | 134.1 | -179 | -74.6 | -61.4 | 0 | 0 | 0 | 110.6 | H1316 A1321 | H1316-H1319 HydrophobicContact CB-CB 4.16Å; H1316-H1319 AromaticContact CE1-CD2 3.77Å; H1316-H1319 AromaticContact CG-CD2 3.85Å; H1316-H1319 AromaticContact ND1-CD2 3.49Å; H1316-H1319 PolarHBondContact ND1-CD2 3.41Å; H1316-H1319 PolarHBondContact ND1-N 3.37Å; H1316-H1319 PolarHBondContact O-N 2.91Å; H1319-A1321 PolarHBondContact O-N 2.95Å |
| 1320 | P | 59.1 | Low | 67.6 | Low | 104 Ų | 104 | 48.6 Ų | 48.6 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | trans | -59.1 | 139.2 | 173.6 | 25.4 | -32.8 | 0 | 0 | 0 | 109.5 | Q1322 | P1320-Q1322 WeakPolarHBondContact O-CG 3.18Å; P1320-Q1322 PolarHBondContact O-N 3.01Å | ||
| 1321 | A | 58.2 | Low | 67.2 | Low | 63 Ų | 63 | 49.6 Ų | 49.6 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | trans | -52.1 | 109.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H1319 E1323 | H1319-A1321 PolarHBondContact O-N 2.95Å; A1321-E1323 VanDerWaalsContact C-N 3.28Å; A1321-E1323 PolarHBondContact O-N 3.31Å | ||
| 1322 | Q | 68.1 | Low | 67.1 | Low | 47 Ų | 47 | 54.5 Ų | 54.5 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | trans | -86.4 | 73.7 | -178.5 | -69.3 | 176.3 | -12.6 | 0 | 0 | 108.4 | F1313 P1320 N1324 L1325 S1326 | F1313-Q1322 HydrophobicContact CB-CB 4.44Å; F1313-Q1322 VanDerWaalsContact CD1-OE1 3.3Å; F1313-Q1322 PolarHBondContact O-N 3.13Å; P1320-Q1322 WeakPolarHBondContact O-CG 3.18Å; P1320-Q1322 PolarHBondContact O-N 3.01Å; Q1322-N1324 VanDerWaalsContact C-N 3.27Å; Q1322-N1324 PolarHBondContact O-N 3.11Å; Q1322-L1325 HydrophobicContact CB-CB 4.06Å; Q1322-L1325 HydrophobicContact CB-CD1 4.03Å; Q1322-L1325 HydrophobicContact CB-CG 4.38Å; Q1322-L1325 HydrophobicContact CG-CD1 4.28Å; Q1322-L1325 PolarHBondContact O-N 3.01Å; Q1322-S1326 PolarHBondContact O-N 2.98Å | ||
| 1323 | E | 60 | Low | 66.7 | Low | 109 Ų | 109 | 55.1 Ų | 55.1 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.2 | -43.6 | -171.4 | -64.1 | -164.6 | 144.8 | 0 | 0 | 112.4 | A1321 L1325 S1326 L1327 K1364 | A1321-E1323 VanDerWaalsContact C-N 3.28Å; A1321-E1323 PolarHBondContact O-N 3.31Å; E1323-L1325 PolarHBondContact O-N 2.94Å; E1323-S1326 WeakPolarHBondContact CA-OG 3.2Å; E1323-S1326 PolarHBondContact O-N 3.33Å; E1323-S1326 PolarHBondContact O-OG 3.47Å; E1323-L1327 WeakPolarHBondContact O-CB 3.32Å; E1323-L1327 PolarHBondContact O-N 3.02Å; E1323-K1364 IonicContact OE1-NZ 3.31Å; E1323-K1364 PolarHBondContact OE1-NZ 3.3Å |
| 1324 | N | 65 | Low | 66.3 | Low | 128 Ų | 128 | 55.1 Ų | 55.1 | 68% | 0.684 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 177.6 | -71.1 | -9.2 | 0 | 0 | 0 | 112.4 | Q1322 L1327 I1328 | Q1322-N1324 VanDerWaalsContact C-N 3.27Å; Q1322-N1324 PolarHBondContact O-N 3.11Å; N1324-L1327 PolarHBondContact O-N 3.33Å; N1324-I1328 WeakPolarHBondContact O-CD1 3.45Å; N1324-I1328 WeakPolarHBondContact O-CG1 3.36Å; N1324-I1328 PolarHBondContact O-N 2.69Å |
| 1325 | L | 72.1 | Confident | 66 | Low | 38 Ų | 38 | 59.4 Ų | 59.4 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.8 | -34.9 | -179.2 | -68 | 170 | 0 | 0 | 0 | 111.5 | N1296 T1298 F1313 Q1322 E1323 I1328 C1329 | N1296-L1325 HydrophobicContact CB-CD1 4.22Å; T1298-L1325 HydrophobicContact CG2-CB 4.39Å; T1298-L1325 HydrophobicContact CG2-CD2 3.42Å; T1298-L1325 VanDerWaalsContact CG2-CD2 3.42Å; F1313-L1325 HydrophobicContact CB-CB 4.45Å; F1313-L1325 HydrophobicContact CD1-CB 4.44Å; F1313-L1325 HydrophobicContact CD2-CB 3.94Å; F1313-L1325 HydrophobicContact CE2-CB 4.28Å; F1313-L1325 HydrophobicContact CG-CB 4.04Å; Q1322-L1325 HydrophobicContact CB-CB 4.06Å; Q1322-L1325 HydrophobicContact CB-CD1 4.03Å; Q1322-L1325 HydrophobicContact CB-CG 4.38Å; Q1322-L1325 HydrophobicContact CG-CD1 4.28Å; Q1322-L1325 PolarHBondContact O-N 3.01Å; E1323-L1325 PolarHBondContact O-N 2.94Å; L1325-I1328 HydrophobicContact CD2-CD1 4.39Å; L1325-I1328 PolarHBondContact O-N 2.87Å; L1325-C1329 WeakPolarHBondContact O-CB 3.43Å; L1325-C1329 PolarHBondContact O-N 3.42Å; L1325-C1329 PolarHBondContact O-SG 2.69Å |
| 1326 | S | 67.8 | Low | 66.1 | Low | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 171.5 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | T1314 Q1322 E1323 C1329 L1330 | T1314-S1326 WeakPolarHBondContact CG2-OG 3.34Å; Q1322-S1326 PolarHBondContact O-N 2.98Å; E1323-S1326 WeakPolarHBondContact CA-OG 3.2Å; E1323-S1326 PolarHBondContact O-N 3.33Å; E1323-S1326 PolarHBondContact O-OG 3.47Å; S1326-C1329 PolarHBondContact O-N 3.46Å; S1326-L1330 VanDerWaalsContact O-CB 3.32Å; S1326-L1330 WeakPolarHBondContact O-CB 3.46Å; S1326-L1330 WeakPolarHBondContact O-CG 3.25Å; S1326-L1330 PolarHBondContact O-N 3.24Å |
| 1327 | L | 65.7 | Low | 65.7 | Low | 67 Ų | 67 | 59.5 Ų | 59.5 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 177.3 | -164.7 | 85.1 | 0 | 0 | 0 | 109.6 | E1323 N1324 C1329 L1330 T1331 F1357 | E1323-L1327 WeakPolarHBondContact O-CB 3.32Å; E1323-L1327 PolarHBondContact O-N 3.02Å; N1324-L1327 PolarHBondContact O-N 3.33Å; L1327-C1329 PolarHBondContact O-N 3.42Å; L1327-L1330 PolarHBondContact O-N 3.39Å; L1327-T1331 HydrophobicContact CD1-CG2 4.33Å; L1327-T1331 HydrophobicContact CG-CG2 4.32Å; L1327-T1331 WeakPolarHBondContact O-CB 3.19Å; L1327-T1331 PolarHBondContact O-N 3.32Å; L1327-T1331 PolarHBondContact O-OG1 3.41Å; L1327-F1357 HydrophobicContact CD1-CE1 3.92Å; L1327-F1357 HydrophobicContact CD1-CZ 4.4Å |
| 1328 | I | 70.6 | Confident | 65.6 | Low | 41 Ų | 41 | 56.3 Ų | 56.3 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 177.3 | -67.7 | 162.2 | 0 | 0 | 0 | 110.6 | T1298 N1324 L1325 L1330 E1332 E1333 | T1298-I1328 HydrophobicContact CG2-CB 3.98Å; T1298-I1328 HydrophobicContact CG2-CG2 3.56Å; N1324-I1328 WeakPolarHBondContact O-CD1 3.45Å; N1324-I1328 WeakPolarHBondContact O-CG1 3.36Å; N1324-I1328 PolarHBondContact O-N 2.69Å; L1325-I1328 HydrophobicContact CD2-CD1 4.39Å; L1325-I1328 PolarHBondContact O-N 2.87Å; I1328-L1330 PolarHBondContact O-N 3.35Å; I1328-E1332 HydrophobicContact CG2-CB 4.18Å; I1328-E1332 PolarHBondContact O-N 2.96Å; I1328-E1333 PolarHBondContact O-N 3.27Å |
| 1329 | C | 71.9 | Confident | 65.3 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 179.1 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | F1313 L1325 S1326 L1327 I1334 | F1313-C1329 VanDerWaalsContact CE2-SG 3.53Å; L1325-C1329 WeakPolarHBondContact O-CB 3.43Å; L1325-C1329 PolarHBondContact O-N 3.42Å; L1325-C1329 PolarHBondContact O-SG 2.69Å; S1326-C1329 PolarHBondContact O-N 3.46Å; L1327-C1329 PolarHBondContact O-N 3.42Å; C1329-I1334 WeakPolarHBondContact O-CG1 3.36Å |
| 1330 | L | 67.2 | Low | 65.1 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -88.6 | -11.4 | -176.1 | -67.3 | 171.5 | 0 | 0 | 0 | 113.9 | S1326 L1327 I1328 I1334 G1356 L1359 L1360 | S1326-L1330 VanDerWaalsContact O-CB 3.32Å; S1326-L1330 WeakPolarHBondContact O-CB 3.46Å; S1326-L1330 WeakPolarHBondContact O-CG 3.25Å; S1326-L1330 PolarHBondContact O-N 3.24Å; L1327-L1330 PolarHBondContact O-N 3.39Å; I1328-L1330 PolarHBondContact O-N 3.35Å; L1330-I1334 WeakPolarHBondContact O-CD1 3.43Å; L1330-G1356 WeakPolarHBondContact O-CA 3.43Å; L1330-L1359 HydrophobicContact CD2-CD2 4.48Å; L1330-L1360 HydrophobicContact CD1-CD1 3.65Å |
| 1331 | T | 64.1 | Low | 64.6 | Low | 20 Ų | 20 | 55.9 Ų | 55.9 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -69.7 | -179.5 | 63.7 | 0 | 0 | 0 | 0 | 111 | L1327 I1334 Q1335 F1357 | L1327-T1331 HydrophobicContact CD1-CG2 4.33Å; L1327-T1331 HydrophobicContact CG-CG2 4.32Å; L1327-T1331 WeakPolarHBondContact O-CB 3.19Å; L1327-T1331 PolarHBondContact O-N 3.32Å; L1327-T1331 PolarHBondContact O-OG1 3.41Å; T1331-I1334 PolarHBondContact O-N 3.31Å; T1331-Q1335 WeakPolarHBondContact O-CB 3.34Å; T1331-Q1335 VanDerWaalsContact O-CG 3.31Å; T1331-Q1335 WeakPolarHBondContact O-CG 3.19Å; T1331-Q1335 PolarHBondContact O-N 2.74Å; T1331-F1357 HydrophobicContact CG2-CD2 3.93Å; T1331-F1357 HydrophobicContact CG2-CE1 4.34Å; T1331-F1357 HydrophobicContact CG2-CE2 3.53Å; T1331-F1357 HydrophobicContact CG2-CG 4.49Å; T1331-F1357 HydrophobicContact CG2-CZ 3.76Å |
| 1332 | E | 67.9 | Low | 64.2 | Low | 115 Ų | 115 | 55 Ų | 55 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | -175.4 | -62.1 | -176.7 | 180 | 0 | 0 | 112.9 | I1328 Q1335 R1336 | I1328-E1332 HydrophobicContact CG2-CB 4.18Å; I1328-E1332 PolarHBondContact O-N 2.96Å; E1332-Q1335 CarbonylContact O-C 3.51Å; E1332-Q1335 PolarHBondContact O-N 3.42Å; E1332-R1336 WeakPolarHBondContact O-CB 3.25Å; E1332-R1336 PolarHBondContact O-N 3.43Å |
| 1333 | E | 70.1 | Confident | 63 | Low | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 179.7 | -79.3 | -74.4 | 134.2 | 0 | 0 | 112.5 | T1298 C1300 A1306 I1328 Q1335 R1336 L1337 | T1298-E1333 WeakPolarHBondContact O-CG 3.37Å; C1300-E1333 PolarHBondContact N-OE2 3.49Å; A1306-E1333 HydrophobicContact CB-CB 4.5Å; I1328-E1333 PolarHBondContact O-N 3.27Å; E1333-Q1335 PolarHBondContact O-N 2.84Å; E1333-R1336 VanDerWaalsContact CD-NE 3.27Å; E1333-R1336 WeakPolarHBondContact O-CB 3.33Å; E1333-R1336 PolarHBondContact O-N 3.09Å; E1333-R1336 VanDerWaalsContact O-N 3.08Å; E1333-R1336 IonicContact OE1-CZ 2.69Å; E1333-R1336 IonicContact OE1-NE 2.74Å; E1333-R1336 PolarHBondContact OE1-NE 3.43Å; E1333-R1336 IonicContact OE1-NH2 3.34Å; E1333-R1336 IonicContact OE2-CZ 2.7Å; E1333-R1336 IonicContact OE2-NE 3.66Å; E1333-R1336 PolarHBondContact OE2-NE 3.33Å; E1333-R1336 VanDerWaalsContact OE2-NE 3.09Å; E1333-R1336 IonicContact OE2-NH2 3.93Å; E1333-R1336 PolarHBondContact OE2-NH2 3.19Å; E1333-L1337 WeakPolarHBondContact O-CG 3.34Å; E1333-L1337 PolarHBondContact O-N 3.44Å |
| 1334 | I | 67.1 | Low | 62.4 | Low | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 173.9 | -52 | -167.6 | 0 | 0 | 0 | 109.1 | L1303 A1306 C1329 L1330 T1331 P1338 L1349 | L1303-I1334 HydrophobicContact CD1-CG2 4.3Å; A1306-I1334 HydrophobicContact CB-CG1 4.45Å; C1329-I1334 WeakPolarHBondContact O-CG1 3.36Å; L1330-I1334 WeakPolarHBondContact O-CD1 3.43Å; T1331-I1334 PolarHBondContact O-N 3.31Å; I1334-P1338 WeakPolarHBondContact O-CD 3.39Å; I1334-L1349 HydrophobicContact CG2-CD1 3.82Å; I1334-L1349 HydrophobicContact CG2-CD2 3.62Å; I1334-L1349 HydrophobicContact CG2-CG 3.75Å; I1334-L1349 WeakPolarHBondContact O-CD1 3.04Å |
| 1335 | Q | 63.4 | Low | 61.6 | Low | 114 Ų | 114 | 49.3 Ų | 49.3 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.7 | -25.9 | 174.4 | -70.4 | 177.9 | 1.9 | 0 | 0 | 114.1 | T1331 E1332 E1333 P1338 L1349 | T1331-Q1335 WeakPolarHBondContact O-CB 3.34Å; T1331-Q1335 VanDerWaalsContact O-CG 3.31Å; T1331-Q1335 WeakPolarHBondContact O-CG 3.19Å; T1331-Q1335 PolarHBondContact O-N 2.74Å; E1332-Q1335 CarbonylContact O-C 3.51Å; E1332-Q1335 PolarHBondContact O-N 3.42Å; E1333-Q1335 PolarHBondContact O-N 2.84Å; Q1335-P1338 WeakPolarHBondContact O-CD 3.5Å; Q1335-L1349 HydrophobicContact CG-CD1 4.43Å |
| 1336 | R | 70 | Confident | 60.4 | Low | 57 Ų | 57 | 53 Ų | 53 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.6 | -41.4 | 177.4 | -170.1 | -177.9 | 71.3 | 74.8 | 7.9 | 112.8 | C1300 E1332 E1333 N1339 Q1340 | C1300-R1336 PolarHBondContact O-NH2 2.92Å; E1332-R1336 WeakPolarHBondContact O-CB 3.25Å; E1332-R1336 PolarHBondContact O-N 3.43Å; E1333-R1336 VanDerWaalsContact CD-NE 3.27Å; E1333-R1336 WeakPolarHBondContact O-CB 3.33Å; E1333-R1336 PolarHBondContact O-N 3.09Å; E1333-R1336 VanDerWaalsContact O-N 3.08Å; E1333-R1336 IonicContact OE1-CZ 2.69Å; E1333-R1336 IonicContact OE1-NE 2.74Å; E1333-R1336 PolarHBondContact OE1-NE 3.43Å; E1333-R1336 IonicContact OE1-NH2 3.34Å; E1333-R1336 IonicContact OE2-CZ 2.7Å; E1333-R1336 IonicContact OE2-NE 3.66Å; E1333-R1336 PolarHBondContact OE2-NE 3.33Å; E1333-R1336 VanDerWaalsContact OE2-NE 3.09Å; E1333-R1336 IonicContact OE2-NH2 3.93Å; E1333-R1336 PolarHBondContact OE2-NH2 3.19Å; R1336-N1339 WeakPolarHBondContact O-CB 3.07Å; R1336-N1339 PolarHBondContact O-N 3.28Å; R1336-Q1340 VanDerWaalsContact NH1-CD 3.26Å |
| 1337 | L | 65.8 | Low | 59.3 | Low | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -56 | -39.1 | -176.2 | -72.2 | 166.9 | 0 | 0 | 0 | 114.7 | L1303 A1306 E1333 N1339 Q1340 T1345 | L1303-L1337 HydrophobicContact CB-CD1 4.11Å; A1306-L1337 HydrophobicContact CB-CD1 4.36Å; E1333-L1337 WeakPolarHBondContact O-CG 3.34Å; E1333-L1337 PolarHBondContact O-N 3.44Å; L1337-N1339 PolarHBondContact O-N 3.33Å; L1337-Q1340 PolarHBondContact O-N 3.48Å; L1337-Q1340 VanDerWaalsContact O-N 3.11Å; L1337-T1345 VanDerWaalsContact C-OG1 3.29Å; L1337-T1345 HydrophobicContact CB-CG2 3.76Å; L1337-T1345 HydrophobicContact CD1-CG2 4.3Å |
| 1338 | P | 57.2 | Low | 58.4 | Low | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59 | -34.3 | 174 | -24.9 | 28.6 | 0 | 0 | 0 | 113.5 | I1334 Q1335 Q1340 G1341 T1345 K1346 L1349 | I1334-P1338 WeakPolarHBondContact O-CD 3.39Å; Q1335-P1338 WeakPolarHBondContact O-CD 3.5Å; P1338-Q1340 PolarHBondContact O-N 3.14Å; P1338-G1341 PolarHBondContact O-N 3.38Å; P1338-T1345 WeakPolarHBondContact CA-OG1 3.24Å; P1338-T1345 WeakPolarHBondContact CD-OG1 3.43Å; P1338-K1346 HydrophobicContact CB-CB 4.02Å; P1338-K1346 HydrophobicContact CB-CG 4.16Å; P1338-L1349 HydrophobicContact CG-CD1 3.5Å |
| 1339 | N | 58.4 | Low | 57.2 | Low | 145 Ų | 145 | 51.9 Ų | 51.9 | 78% | 0.775 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.7 | -179.1 | -62.2 | -22.3 | 0 | 0 | 0 | 112.1 | R1336 L1337 G1341 | R1336-N1339 WeakPolarHBondContact O-CB 3.07Å; R1336-N1339 PolarHBondContact O-N 3.28Å; L1337-N1339 PolarHBondContact O-N 3.33Å; N1339-G1341 PolarHBondContact O-N 3.03Å |
| 1340 | Q | 57.6 | Low | 55.9 | Low | 108 Ų | 108 | 58.3 Ų | 58.3 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -83 | 6.2 | 173.1 | -62 | -166.9 | -46.9 | 0 | 0 | 113.6 | R1336 L1337 P1338 | R1336-Q1340 VanDerWaalsContact NH1-CD 3.26Å; L1337-Q1340 PolarHBondContact O-N 3.48Å; L1337-Q1340 VanDerWaalsContact O-N 3.11Å; P1338-Q1340 PolarHBondContact O-N 3.14Å |
| 1341 | G | 48.1 | Very low | 54.8 | Low | 65 Ų | 65 | 62.4 Ų | 62.4 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | 6.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1338 N1339 F1343 | P1338-G1341 PolarHBondContact O-N 3.38Å; N1339-G1341 PolarHBondContact O-N 3.03Å; G1341-F1343 PolarHBondContact O-N 2.62Å |
| 1342 | S | 49.8 | Very low | 53.9 | Low | 45 Ų | 45 | 64 Ų | 64 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | trans | -76.3 | 94.6 | 173.7 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | V1344 T1345 K1346 | S1342-V1344 PolarHBondContact O-N 2.97Å; S1342-T1345 WeakPolarHBondContact CB-OG1 3.21Å; S1342-T1345 PolarHBondContact O-N 3.11Å; S1342-T1345 VanDerWaalsContact O-N 3.08Å; S1342-T1345 PolarHBondContact O-OG1 3.03Å; S1342-T1345 WeakPolarHBondContact OG-CG2 3.31Å; S1342-K1346 PolarHBondContact O-N 3.02Å | ||
| 1343 | F | 44.3 | Very low | 52.9 | Low | 108 Ų | 108 | 62.6 Ų | 62.6 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -52.3 | -37.9 | 174.6 | -177.6 | -93.2 | 0 | 0 | 0 | 111.9 | E1160 G1341 T1345 K1346 S1347 | E1160-F1343 HydrophobicContact CG-CE1 3.59Å; E1160-F1343 HydrophobicContact CG-CZ 4.24Å; G1341-F1343 PolarHBondContact O-N 2.62Å; F1343-T1345 VanDerWaalsContact C-N 3.28Å; F1343-T1345 PolarHBondContact O-N 3.17Å; F1343-K1346 CarbonylContact O-C 3.29Å; F1343-K1346 WeakPolarHBondContact O-CA 3.37Å; F1343-K1346 WeakPolarHBondContact O-CB 3.42Å; F1343-K1346 PolarHBondContact O-N 2.78Å; F1343-S1347 PolarHBondContact O-N 3.06Å; F1343-S1347 PolarHBondContact O-OG 3.23Å |
| 1344 | V | 46.6 | Very low | 51.9 | Low | 54 Ų | 54 | 66.7 Ų | 66.7 | 33% | 0.327 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -52.9 | -44.9 | 177.2 | 165.6 | 0 | 0 | 0 | 0 | 113 | I1159 S1342 S1347 A1348 | I1159-V1344 HydrophobicContact CB-CG2 4.28Å; I1159-V1344 HydrophobicContact CD1-CB 4Å; I1159-V1344 HydrophobicContact CD1-CG1 3.61Å; I1159-V1344 HydrophobicContact CD1-CG2 3.31Å; I1159-V1344 HydrophobicContact CG1-CG1 4.24Å; I1159-V1344 HydrophobicContact CG1-CG2 4.3Å; I1159-V1344 HydrophobicContact CG2-CB 3.87Å; I1159-V1344 HydrophobicContact CG2-CG1 3.78Å; I1159-V1344 HydrophobicContact CG2-CG2 3.89Å; S1342-V1344 PolarHBondContact O-N 2.97Å; V1344-S1347 PolarHBondContact O-OG 2.97Å; V1344-A1348 WeakPolarHBondContact O-CB 3.36Å; V1344-A1348 PolarHBondContact O-N 3.49Å; V1344-A1348 VanDerWaalsContact O-N 3.08Å |
| 1345 | T | 48.6 | Very low | 51.1 | Low | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.8 | -33.3 | 179.2 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | L1303 L1337 P1338 S1342 F1343 A1348 L1349 | L1303-T1345 HydrophobicContact CB-CG2 3.94Å; L1303-T1345 HydrophobicContact CD1-CG2 3.48Å; L1303-T1345 VanDerWaalsContact CD1-CG2 3.48Å; L1303-T1345 HydrophobicContact CG-CG2 4.27Å; L1337-T1345 VanDerWaalsContact C-OG1 3.29Å; L1337-T1345 HydrophobicContact CB-CG2 3.76Å; L1337-T1345 HydrophobicContact CD1-CG2 4.3Å; P1338-T1345 WeakPolarHBondContact CA-OG1 3.24Å; P1338-T1345 WeakPolarHBondContact CD-OG1 3.43Å; S1342-T1345 WeakPolarHBondContact CB-OG1 3.21Å; S1342-T1345 PolarHBondContact O-N 3.11Å; S1342-T1345 VanDerWaalsContact O-N 3.08Å; S1342-T1345 PolarHBondContact O-OG1 3.03Å; S1342-T1345 WeakPolarHBondContact OG-CG2 3.31Å; F1343-T1345 VanDerWaalsContact C-N 3.28Å; F1343-T1345 PolarHBondContact O-N 3.17Å; T1345-A1348 PolarHBondContact O-N 3.41Å; T1345-L1349 WeakPolarHBondContact O-CB 3.4Å; T1345-L1349 PolarHBondContact O-N 3.37Å |
| 1346 | K | 47 | Very low | 50.5 | Low | 115 Ų | 115 | 62.3 Ų | 62.3 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 177 | -156.4 | 172.7 | -175.3 | 177.3 | 0 | 111.5 | P1338 S1342 F1343 Q1350 | P1338-K1346 HydrophobicContact CB-CB 4.02Å; P1338-K1346 HydrophobicContact CB-CG 4.16Å; S1342-K1346 PolarHBondContact O-N 3.02Å; F1343-K1346 CarbonylContact O-C 3.29Å; F1343-K1346 WeakPolarHBondContact O-CA 3.37Å; F1343-K1346 WeakPolarHBondContact O-CB 3.42Å; F1343-K1346 PolarHBondContact O-N 2.78Å; K1346-Q1350 WeakPolarHBondContact O-CB 3.24Å; K1346-Q1350 WeakPolarHBondContact O-CG 3.49Å; K1346-Q1350 PolarHBondContact O-N 2.88Å |
| 1347 | S | 44.6 | Very low | 49.5 | Very low | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 173.4 | 60 | 0 | 0 | 0 | 0 | 110.9 | I1159 F1343 V1344 L1349 Q1350 F1351 | I1159-S1347 WeakPolarHBondContact CG2-OG 3.47Å; F1343-S1347 PolarHBondContact O-N 3.06Å; F1343-S1347 PolarHBondContact O-OG 3.23Å; V1344-S1347 PolarHBondContact O-OG 2.97Å; S1347-L1349 VanDerWaalsContact C-N 3.34Å; S1347-L1349 PolarHBondContact O-N 3.45Å; S1347-Q1350 PolarHBondContact O-N 2.96Å; S1347-F1351 WeakPolarHBondContact O-CD2 3.43Å; S1347-F1351 PolarHBondContact O-N 3.37Å |
| 1348 | A | 45.8 | Very low | 48.7 | Very low | 50 Ų | 50 | 66.2 Ų | 66.2 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L1303 V1344 T1345 F1351 Q1352 | L1303-A1348 HydrophobicContact CD1-CB 4.45Å; V1344-A1348 WeakPolarHBondContact O-CB 3.36Å; V1344-A1348 PolarHBondContact O-N 3.49Å; V1344-A1348 VanDerWaalsContact O-N 3.08Å; T1345-A1348 PolarHBondContact O-N 3.41Å; A1348-F1351 PolarHBondContact O-N 2.97Å; A1348-Q1352 PolarHBondContact O-N 3.23Å |
| 1349 | L | 46.6 | Very low | 48.4 | Very low | 30 Ų | 30 | 67.4 Ų | 67.4 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.7 | -30.7 | -179.4 | -84.1 | 176 | 0 | 0 | 0 | 114.8 | I1334 Q1335 P1338 T1345 S1347 F1351 Q1352 | I1334-L1349 HydrophobicContact CG2-CD1 3.82Å; I1334-L1349 HydrophobicContact CG2-CD2 3.62Å; I1334-L1349 HydrophobicContact CG2-CG 3.75Å; I1334-L1349 WeakPolarHBondContact O-CD1 3.04Å; Q1335-L1349 HydrophobicContact CG-CD1 4.43Å; P1338-L1349 HydrophobicContact CG-CD1 3.5Å; T1345-L1349 WeakPolarHBondContact O-CB 3.4Å; T1345-L1349 PolarHBondContact O-N 3.37Å; S1347-L1349 VanDerWaalsContact C-N 3.34Å; S1347-L1349 PolarHBondContact O-N 3.45Å; L1349-F1351 PolarHBondContact O-N 3.21Å; L1349-Q1352 CarbonylContact O-C 3.53Å |
| 1350 | Q | 43.5 | Very low | 48.1 | Very low | 135 Ų | 135 | 61.1 Ų | 61.1 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.7 | -27.9 | 171.9 | -85.8 | -176.8 | -27.9 | 0 | 0 | 111.9 | K1346 S1347 | K1346-Q1350 WeakPolarHBondContact O-CB 3.24Å; K1346-Q1350 WeakPolarHBondContact O-CG 3.49Å; K1346-Q1350 PolarHBondContact O-N 2.88Å; S1347-Q1350 PolarHBondContact O-N 2.96Å |
| 1351 | F | 43.6 | Very low | 47.6 | Very low | 90 Ų | 90 | 58.7 Ų | 58.7 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -82.9 | -40.4 | -178.7 | -86.5 | -98.2 | 0 | 0 | 0 | 113.5 | G1163 S1347 A1348 L1349 | G1163-F1351 WeakPolarHBondContact O-CE2 3.38Å; G1163-F1351 WeakPolarHBondContact O-CZ 3.3Å; S1347-F1351 WeakPolarHBondContact O-CD2 3.43Å; S1347-F1351 PolarHBondContact O-N 3.37Å; A1348-F1351 PolarHBondContact O-N 2.97Å; L1349-F1351 PolarHBondContact O-N 3.21Å |
| 1352 | Q | 46.3 | Very low | 47.7 | Very low | 54 Ų | 54 | 56.8 Ų | 56.8 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | trans | -142.8 | 87.2 | 179 | -75.7 | -179.3 | -13.3 | 0 | 0 | 109.9 | A1348 L1349 N1354 A1355 | A1348-Q1352 PolarHBondContact O-N 3.23Å; L1349-Q1352 CarbonylContact O-C 3.53Å; Q1352-N1354 PolarHBondContact O-N 3.03Å; Q1352-A1355 HydrophobicContact CB-CB 3.89Å; Q1352-A1355 WeakPolarHBondContact O-CB 3.45Å; Q1352-A1355 PolarHBondContact O-N 3.37Å; Q1352-A1355 VanDerWaalsContact O-N 3.1Å | ||
| 1353 | P | 46.9 | Very low | 47.7 | Very low | 85 Ų | 85 | 55 Ų | 55 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.4 | 179 | 21.7 | -31.9 | 0 | 0 | 0 | 112.5 | ||
| 1354 | N | 48 | Very low | 48 | Very low | 99 Ų | 99 | 54.5 Ų | 54.5 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 16.1 | -178.8 | -63.7 | -17.6 | 0 | 0 | 0 | 114 | Q1352 G1356 F1357 L1358 | Q1352-N1354 PolarHBondContact O-N 3.03Å; N1354-G1356 VanDerWaalsContact C-N 3.25Å; N1354-G1356 PolarHBondContact O-N 3.27Å; N1354-F1357 HydrophobicContact CB-CB 4.44Å; N1354-F1357 WeakPolarHBondContact O-CB 2.81Å; N1354-F1357 PolarHBondContact O-N 3.46Å; N1354-L1358 PolarHBondContact O-N 3.29Å |
| 1355 | A | 51.3 | Low | 48 | Very low | 30 Ų | 30 | 54.3 Ų | 54.3 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.2 | -41.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1352 F1357 L1358 L1359 | Q1352-A1355 HydrophobicContact CB-CB 3.89Å; Q1352-A1355 WeakPolarHBondContact O-CB 3.45Å; Q1352-A1355 PolarHBondContact O-N 3.37Å; Q1352-A1355 VanDerWaalsContact O-N 3.1Å; A1355-F1357 PolarHBondContact O-N 3.5Å; A1355-L1358 PolarHBondContact O-N 3.41Å; A1355-L1359 WeakPolarHBondContact O-CB 3.27Å; A1355-L1359 PolarHBondContact O-N 3.29Å |
| 1356 | G | 51.1 | Low | 48 | Very low | 7 Ų | 7 | 55.3 Ų | 55.3 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1330 N1354 L1360 | L1330-G1356 WeakPolarHBondContact O-CA 3.43Å; N1354-G1356 VanDerWaalsContact C-N 3.25Å; N1354-G1356 PolarHBondContact O-N 3.27Å; G1356-L1360 PolarHBondContact O-N 2.69Å; G1356-L1360 VanDerWaalsContact O-N 3.08Å |
| 1357 | F | 48.8 | Very low | 48 | Very low | 91 Ų | 91 | 54.2 Ų | 54.2 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 175.7 | -80.8 | -75.3 | 0 | 0 | 0 | 112.2 | L1327 T1331 N1354 A1355 L1360 L1361 | L1327-F1357 HydrophobicContact CD1-CE1 3.92Å; L1327-F1357 HydrophobicContact CD1-CZ 4.4Å; T1331-F1357 HydrophobicContact CG2-CD2 3.93Å; T1331-F1357 HydrophobicContact CG2-CE1 4.34Å; T1331-F1357 HydrophobicContact CG2-CE2 3.53Å; T1331-F1357 HydrophobicContact CG2-CG 4.49Å; T1331-F1357 HydrophobicContact CG2-CZ 3.76Å; N1354-F1357 HydrophobicContact CB-CB 4.44Å; N1354-F1357 WeakPolarHBondContact O-CB 2.81Å; N1354-F1357 PolarHBondContact O-N 3.46Å; A1355-F1357 PolarHBondContact O-N 3.5Å; F1357-L1360 PolarHBondContact O-N 2.81Å; F1357-L1361 WeakPolarHBondContact O-CB 3.21Å; F1357-L1361 PolarHBondContact O-N 3.28Å |
| 1358 | L | 48 | Very low | 47.8 | Very low | 53 Ų | 53 | 57.8 Ų | 57.8 | 28% | 0.277 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.6 | -75.5 | 166.6 | 0 | 0 | 0 | 111.5 | N1354 A1355 L1361 V1362 L1412 L1492 | N1354-L1358 PolarHBondContact O-N 3.29Å; A1355-L1358 PolarHBondContact O-N 3.41Å; L1358-L1361 PolarHBondContact O-N 3.34Å; L1358-V1362 WeakPolarHBondContact O-CG2 3.09Å; L1358-V1362 PolarHBondContact O-N 2.73Å; L1358-L1412 HydrophobicContact CD2-CD1 4.22Å; L1358-L1492 HydrophobicContact CB-CD2 4.46Å; L1358-L1492 HydrophobicContact CD1-CD2 4.38Å |
| 1359 | L | 52.4 | Low | 47.4 | Very low | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.7 | -144 | 100.5 | 0 | 0 | 0 | 110.6 | L1330 A1355 L1361 V1362 I1363 L1492 | L1330-L1359 HydrophobicContact CD2-CD2 4.48Å; A1355-L1359 WeakPolarHBondContact O-CB 3.27Å; A1355-L1359 PolarHBondContact O-N 3.29Å; L1359-L1361 VanDerWaalsContact C-N 3.33Å; L1359-L1361 PolarHBondContact O-N 3.2Å; L1359-V1362 PolarHBondContact O-N 2.91Å; L1359-I1363 HydrophobicContact CD2-CD1 3.76Å; L1359-I1363 HydrophobicContact CG-CD1 4.08Å; L1359-I1363 VanDerWaalsContact O-CB 3.28Å; L1359-I1363 WeakPolarHBondContact O-CB 3.38Å; L1359-I1363 WeakPolarHBondContact O-CD1 2.98Å; L1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; L1359-I1363 PolarHBondContact O-N 3.4Å; L1359-L1492 HydrophobicContact CD1-CD1 3.67Å |
| 1360 | L | 50.7 | Low | 46.8 | Very low | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | 178.9 | -158.3 | 108.9 | 0 | 0 | 0 | 112.3 | T1314 L1330 G1356 F1357 K1364 | T1314-L1360 HydrophobicContact CG2-CD1 4.1Å; L1330-L1360 HydrophobicContact CD1-CD1 3.65Å; G1356-L1360 PolarHBondContact O-N 2.69Å; G1356-L1360 VanDerWaalsContact O-N 3.08Å; F1357-L1360 PolarHBondContact O-N 2.81Å; L1360-K1364 PolarHBondContact O-N 3.24Å |
| 1361 | L | 48.8 | Very low | 46.4 | Very low | 56 Ų | 56 | 71.2 Ų | 71.2 | 29% | 0.293 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70 | -42 | -179.6 | -160.1 | 136.2 | 0 | 0 | 0 | 111.9 | F1357 L1358 L1359 L1365 Y1383 I1387 | F1357-L1361 WeakPolarHBondContact O-CB 3.21Å; F1357-L1361 PolarHBondContact O-N 3.28Å; L1358-L1361 PolarHBondContact O-N 3.34Å; L1359-L1361 VanDerWaalsContact C-N 3.33Å; L1359-L1361 PolarHBondContact O-N 3.2Å; L1361-L1365 HydrophobicContact CD2-CD1 3.58Å; L1361-L1365 HydrophobicContact CG-CD1 4.44Å; L1361-L1365 WeakPolarHBondContact O-CB 3.13Å; L1361-L1365 VanDerWaalsContact O-CG 3.31Å; L1361-L1365 WeakPolarHBondContact O-CG 3.32Å; L1361-L1365 PolarHBondContact O-N 3.49Å; L1361-Y1383 HydrophobicContact CD1-CE1 4.36Å; L1361-I1387 HydrophobicContact CD1-CD1 4.03Å |
| 1362 | V | 49.8 | Very low | 45.8 | Very low | 25 Ų | 25 | 68.3 Ų | 68.3 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 173 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L1358 L1359 K1364 L1365 I1366 M1485 T1488 | L1358-V1362 WeakPolarHBondContact O-CG2 3.09Å; L1358-V1362 PolarHBondContact O-N 2.73Å; L1359-V1362 PolarHBondContact O-N 2.91Å; V1362-K1364 VanDerWaalsContact C-N 3.34Å; V1362-K1364 PolarHBondContact O-N 3.48Å; V1362-L1365 PolarHBondContact O-N 3.01Å; V1362-I1366 HydrophobicContact CG1-CD1 3.66Å; V1362-I1366 HydrophobicContact CG1-CG1 4.35Å; V1362-I1366 VanDerWaalsContact O-CG1 3.3Å; V1362-I1366 WeakPolarHBondContact O-CG1 3.44Å; V1362-I1366 PolarHBondContact O-N 3.14Å; V1362-M1485 HydrophobicContact CG1-SD 4.17Å; V1362-T1488 HydrophobicContact CG1-CG2 3.96Å; V1362-T1488 HydrophobicContact CG2-CG2 3.99Å |
| 1363 | I | 50.3 | Low | 45.4 | Very low | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 180 | -73.1 | 169.4 | 0 | 0 | 0 | 111.3 | I1311 M1315 L1359 | I1311-I1363 HydrophobicContact CG1-CD1 4.33Å; M1315-I1363 HydrophobicContact CE-CG2 3.18Å; M1315-I1363 HydrophobicContact CG-CG2 4.39Å; L1359-I1363 HydrophobicContact CD2-CD1 3.76Å; L1359-I1363 HydrophobicContact CG-CD1 4.08Å; L1359-I1363 VanDerWaalsContact O-CB 3.28Å; L1359-I1363 WeakPolarHBondContact O-CB 3.38Å; L1359-I1363 WeakPolarHBondContact O-CD1 2.98Å; L1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; L1359-I1363 PolarHBondContact O-N 3.4Å |
| 1364 | K | 50.6 | Low | 44.9 | Very low | 99 Ų | 99 | 73 Ų | 73 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.1 | -41.2 | 176.4 | -79.8 | -169.1 | 170.7 | -170.3 | 0 | 113.3 | E1323 L1360 V1362 N1367 C1368 | E1323-K1364 IonicContact OE1-NZ 3.31Å; E1323-K1364 PolarHBondContact OE1-NZ 3.3Å; L1360-K1364 PolarHBondContact O-N 3.24Å; V1362-K1364 VanDerWaalsContact C-N 3.34Å; V1362-K1364 PolarHBondContact O-N 3.48Å; K1364-N1367 PolarHBondContact O-N 2.89Å; K1364-C1368 PolarHBondContact O-N 3.31Å |
| 1365 | L | 45.4 | Very low | 44.6 | Very low | 49 Ų | 49 | 75.1 Ų | 75.1 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | -178.8 | -76.9 | 171.1 | 0 | 0 | 0 | 113.5 | L1361 V1362 N1367 L1380 I1419 | L1361-L1365 HydrophobicContact CD2-CD1 3.58Å; L1361-L1365 HydrophobicContact CG-CD1 4.44Å; L1361-L1365 WeakPolarHBondContact O-CB 3.13Å; L1361-L1365 VanDerWaalsContact O-CG 3.31Å; L1361-L1365 WeakPolarHBondContact O-CG 3.32Å; L1361-L1365 PolarHBondContact O-N 3.49Å; V1362-L1365 PolarHBondContact O-N 3.01Å; L1365-N1367 PolarHBondContact O-N 2.97Å; L1365-L1380 HydrophobicContact CD2-CD1 3.97Å; L1365-I1419 HydrophobicContact CD1-CD1 3.83Å |
| 1366 | I | 48.2 | Very low | 44.2 | Very low | 25 Ų | 25 | 79.1 Ų | 79.1 | 13% | 0.128 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.2 | -31.8 | 175.7 | -71.1 | 169.5 | 0 | 0 | 0 | 110.6 | V1362 I1484 M1485 | V1362-I1366 HydrophobicContact CG1-CD1 3.66Å; V1362-I1366 HydrophobicContact CG1-CG1 4.35Å; V1362-I1366 VanDerWaalsContact O-CG1 3.3Å; V1362-I1366 WeakPolarHBondContact O-CG1 3.44Å; V1362-I1366 PolarHBondContact O-N 3.14Å; I1366-I1484 HydrophobicContact CD1-CG2 4.06Å; I1366-I1484 HydrophobicContact CG1-CG2 4.34Å; I1366-M1485 HydrophobicContact CD1-CG 3.88Å; I1366-M1485 HydrophobicContact CD1-SD 3.47Å; I1366-M1485 WeakPolarHBondContact CD1-SD 3.37Å |
| 1367 | N | 47.2 | Very low | 43.8 | Very low | 92 Ų | 92 | 82.8 Ų | 82.8 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 13.6 | -170.4 | -78 | -5.1 | 0 | 0 | 0 | 115.9 | M1315 K1364 L1365 P1369 | M1315-N1367 WeakPolarHBondContact CE-ND2 3.23Å; K1364-N1367 PolarHBondContact O-N 2.89Å; L1365-N1367 PolarHBondContact O-N 2.97Å; N1367-P1369 WeakPolarHBondContact O-CD 3.4Å; N1367-P1369 VanDerWaalsContact O-N 3.17Å |
| 1368 | C | 41.3 | Very low | 43.5 | Very low | 82 Ų | 82 | 84 Ų | 84 | 55% | 0.554 | 43% | 0.431 | S | S | * | . | trans | -65.2 | 109.4 | 165.5 | -81.1 | 0 | 0 | 0 | 0 | 109.4 | K1364 Y1370 | K1364-C1368 PolarHBondContact O-N 3.31Å; C1368-Y1370 PolarHBondContact O-N 3.48Å | ||
| 1369 | P | 36.3 | Very low | 43.4 | Very low | 112 Ų | 112 | 88.1 Ų | 88.1 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | trans | -82.7 | 120.8 | 178.5 | 27.3 | -15.9 | 0 | 0 | 0 | 108.8 | N1367 | N1367-P1369 WeakPolarHBondContact O-CD 3.4Å; N1367-P1369 VanDerWaalsContact O-N 3.17Å | ||
| 1370 | Y | 34.1 | Very low | 43.1 | Very low | 197 Ų | 197 | 89.9 Ų | 89.9 | 77% | 0.773 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 44 | 107.5 | 163.4 | -77.9 | -91.4 | 0 | 0 | 0 | 119 | C1368 G1372 | C1368-Y1370 PolarHBondContact O-N 3.48Å; Y1370-G1372 PolarHBondContact O-N 2.91Å |
| 1371 | F | 34.9 | Very low | 42.8 | Very low | 188 Ų | 188 | 94.2 Ų | 94.2 | 83% | 0.825 | 48% | 0.475 | S | S | * | . | trans | 34.7 | 59.6 | 138.8 | -67.5 | -85.9 | 0 | 0 | 0 | 116.9 | ||||
| 1372 | G | 31.4 | Very low | 42.7 | Very low | 30 Ų | 30 | 95.8 Ų | 95.8 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | trans | -76.2 | 154.7 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | Y1370 | Y1370-G1372 PolarHBondContact O-N 2.91Š| ||
| 1373 | P | 37.9 | Very low | 42.6 | Very low | 102 Ų | 102 | 100.4 Ų | 100.4 | 66% | 0.662 | 50% | 0.503 | S | S | * | . | trans | -59.4 | 153.3 | -175.2 | 26.3 | -33 | 0 | 0 | 0 | 110.8 | Q1375 E1376 | P1373-Q1375 WeakPolarHBondContact O-CA 3.27Å; P1373-Q1375 PolarHBondContact O-N 3.05Å; P1373-E1376 PolarHBondContact O-N 2.93Å | ||
| 1374 | M | 37.5 | Very low | 42.4 | Very low | 135 Ų | 135 | 102.7 Ų | 102.7 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -29.5 | -23.7 | 179.9 | -95.4 | -80.9 | -162.5 | 0 | 0 | 117.8 | I1377 Q1378 | M1374-I1377 PolarHBondContact O-N 3.35Å; M1374-Q1378 WeakPolarHBondContact O-CB 3.4Å; M1374-Q1378 WeakPolarHBondContact O-CG 3.25Å; M1374-Q1378 PolarHBondContact O-N 3.44Å |
| 1375 | Q | 40.3 | Very low | 42 | Very low | 144 Ų | 144 | 100.7 Ų | 100.7 | 67% | 0.673 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -37.2 | 172.8 | -66.2 | -177.4 | -5.2 | 0 | 0 | 114.6 | P1373 Q1378 K1379 | P1373-Q1375 WeakPolarHBondContact O-CA 3.27Å; P1373-Q1375 PolarHBondContact O-N 3.05Å; Q1375-Q1378 PolarHBondContact O-N 3.04Å; Q1375-K1379 PolarHBondContact O-N 3.19Å |
| 1376 | E | 43.2 | Very low | 42 | Very low | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.9 | -33.9 | 176.7 | -75.3 | -155.4 | 154.8 | 0 | 0 | 112.8 | P1373 Q1378 K1379 L1380 | P1373-E1376 PolarHBondContact O-N 2.93Å; E1376-Q1378 VanDerWaalsContact C-N 3.29Å; E1376-Q1378 PolarHBondContact O-N 3.19Å; E1376-K1379 WeakPolarHBondContact O-CA 3.47Å; E1376-K1379 WeakPolarHBondContact O-CB 3.32Å; E1376-K1379 PolarHBondContact O-N 3.28Å; E1376-K1379 VanDerWaalsContact O-N 3.12Å; E1376-L1380 PolarHBondContact O-N 3.34Å |
| 1377 | I | 43.6 | Very low | 41.8 | Very low | 83 Ų | 83 | 101.7 Ų | 101.7 | 43% | 0.426 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 171.3 | -61.6 | 173.4 | 0 | 0 | 0 | 109.9 | M1374 L1380 H1381 W1429 | M1374-I1377 PolarHBondContact O-N 3.35Å; I1377-L1380 PolarHBondContact O-N 2.93Å; I1377-H1381 VanDerWaalsContact O-CB 3.31Å; I1377-H1381 WeakPolarHBondContact O-CB 3.49Å; I1377-H1381 PolarHBondContact O-N 2.7Å; I1377-W1429 HydrophobicContact CG2-CH2 4.38Å |
| 1378 | Q | 42.2 | Very low | 41.6 | Very low | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 169.7 | -77.4 | 178.6 | -7.5 | 0 | 0 | 112.7 | M1374 Q1375 E1376 H1381 T1382 | M1374-Q1378 WeakPolarHBondContact O-CB 3.4Å; M1374-Q1378 WeakPolarHBondContact O-CG 3.25Å; M1374-Q1378 PolarHBondContact O-N 3.44Å; Q1375-Q1378 PolarHBondContact O-N 3.04Å; E1376-Q1378 VanDerWaalsContact C-N 3.29Å; E1376-Q1378 PolarHBondContact O-N 3.19Å; Q1378-H1381 PolarHBondContact O-N 2.71Å; Q1378-T1382 WeakPolarHBondContact O-CB 3.29Å; Q1378-T1382 VanDerWaalsContact O-CG2 3.31Å; Q1378-T1382 WeakPolarHBondContact O-CG2 3.44Å; Q1378-T1382 PolarHBondContact O-N 3.19Å; Q1378-T1382 PolarHBondContact O-OG1 3.1Å |
| 1379 | K | 46.5 | Very low | 41.6 | Very low | 140 Ų | 140 | 104.2 Ų | 104.2 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 170.3 | -75 | 179.7 | -176.9 | 175.2 | 0 | 111.7 | Q1375 E1376 T1382 Y1383 | Q1375-K1379 PolarHBondContact O-N 3.19Å; E1376-K1379 WeakPolarHBondContact O-CA 3.47Å; E1376-K1379 WeakPolarHBondContact O-CB 3.32Å; E1376-K1379 PolarHBondContact O-N 3.28Å; E1376-K1379 VanDerWaalsContact O-N 3.12Å; K1379-T1382 VanDerWaalsContact CA-OG1 3.26Å; K1379-T1382 WeakPolarHBondContact CA-OG1 3.45Å; K1379-T1382 PolarHBondContact O-N 3.02Å; K1379-T1382 PolarHBondContact O-OG1 3.39Å; K1379-Y1383 WeakPolarHBondContact O-CB 3.26Å; K1379-Y1383 PolarHBondContact O-N 3.45Å |
| 1380 | L | 45.9 | Very low | 41.8 | Very low | 77 Ų | 77 | 104.9 Ų | 104.9 | 40% | 0.403 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 176.7 | -155.9 | 137.5 | 0 | 0 | 0 | 111.3 | L1365 E1376 I1377 Y1383 L1384 | L1365-L1380 HydrophobicContact CD2-CD1 3.97Å; E1376-L1380 PolarHBondContact O-N 3.34Å; I1377-L1380 PolarHBondContact O-N 2.93Å; L1380-Y1383 PolarHBondContact O-N 3.29Å; L1380-L1384 HydrophobicContact CD2-CD1 3.67Å; L1380-L1384 HydrophobicContact CD2-CG 4.25Å; L1380-L1384 VanDerWaalsContact O-CB 3.32Å; L1380-L1384 WeakPolarHBondContact O-CB 3.2Å; L1380-L1384 VanDerWaalsContact O-CG 3.27Å; L1380-L1384 WeakPolarHBondContact O-CG 3.49Å; L1380-L1384 PolarHBondContact O-N 3.05Å |
| 1381 | H | 43.6 | Very low | 42.1 | Very low | 105 Ų | 105 | 97.1 Ų | 97.1 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 173.7 | -169.3 | 71.8 | 0 | 0 | 0 | 112.4 | I1377 Q1378 N1385 | I1377-H1381 VanDerWaalsContact O-CB 3.31Å; I1377-H1381 WeakPolarHBondContact O-CB 3.49Å; I1377-H1381 PolarHBondContact O-N 2.7Å; Q1378-H1381 PolarHBondContact O-N 2.71Å; H1381-N1385 PolarHBondContact CD2-ND2 3.22Å; H1381-N1385 VanDerWaalsContact CD2-ND2 3.28Å; H1381-N1385 PolarHBondContact NE2-ND2 3Å; H1381-N1385 VanDerWaalsContact O-CB 3.22Å; H1381-N1385 WeakPolarHBondContact O-CB 3.31Å; H1381-N1385 PolarHBondContact O-N 3.37Å; H1381-N1385 PolarHBondContact O-ND2 3.2Å |
| 1382 | T | 47.5 | Very low | 42 | Very low | 89 Ų | 89 | 92.5 Ų | 92.5 | 55% | 0.546 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 174.5 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | Q1378 K1379 N1385 G1386 | Q1378-T1382 WeakPolarHBondContact O-CB 3.29Å; Q1378-T1382 VanDerWaalsContact O-CG2 3.31Å; Q1378-T1382 WeakPolarHBondContact O-CG2 3.44Å; Q1378-T1382 PolarHBondContact O-N 3.19Å; Q1378-T1382 PolarHBondContact O-OG1 3.1Å; K1379-T1382 VanDerWaalsContact CA-OG1 3.26Å; K1379-T1382 WeakPolarHBondContact CA-OG1 3.45Å; K1379-T1382 PolarHBondContact O-N 3.02Å; K1379-T1382 PolarHBondContact O-OG1 3.39Å; T1382-N1385 CarbonylContact O-C 3.11Å; T1382-N1385 PolarHBondContact O-N 3.17Å; T1382-G1386 PolarHBondContact O-N 3.42Å |
| 1383 | Y | 46.5 | Very low | 42 | Very low | 122 Ų | 122 | 96.9 Ų | 96.9 | 48% | 0.478 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 172.9 | -171.6 | -104.8 | 0 | 0 | 0 | 111.6 | L1361 K1379 L1380 N1385 G1386 I1387 | L1361-Y1383 HydrophobicContact CD1-CE1 4.36Å; K1379-Y1383 WeakPolarHBondContact O-CB 3.26Å; K1379-Y1383 PolarHBondContact O-N 3.45Å; L1380-Y1383 PolarHBondContact O-N 3.29Å; Y1383-N1385 VanDerWaalsContact C-N 3.35Å; Y1383-N1385 PolarHBondContact O-N 3.45Å; Y1383-G1386 WeakPolarHBondContact O-CA 3.14Å; Y1383-G1386 PolarHBondContact O-N 3.34Å; Y1383-G1386 VanDerWaalsContact O-N 3.12Å; Y1383-I1387 HydrophobicContact CD1-CD1 3.61Å; Y1383-I1387 HydrophobicContact CD1-CG1 4.47Å; Y1383-I1387 HydrophobicContact CE1-CD1 3.38Å; Y1383-I1387 HydrophobicContact CE1-CG1 4.31Å; Y1383-I1387 HydrophobicContact CG-CD1 4.44Å; Y1383-I1387 WeakPolarHBondContact O-CG1 3.5Å; Y1383-I1387 PolarHBondContact O-N 2.77Å |
| 1384 | L | 45.8 | Very low | 41.8 | Very low | 55 Ų | 55 | 100.5 Ų | 100.5 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 171.9 | -75.1 | 173.3 | 0 | 0 | 0 | 111.5 | L1380 G1386 I1387 M1388 | L1380-L1384 HydrophobicContact CD2-CD1 3.67Å; L1380-L1384 HydrophobicContact CD2-CG 4.25Å; L1380-L1384 VanDerWaalsContact O-CB 3.32Å; L1380-L1384 WeakPolarHBondContact O-CB 3.2Å; L1380-L1384 VanDerWaalsContact O-CG 3.27Å; L1380-L1384 WeakPolarHBondContact O-CG 3.49Å; L1380-L1384 PolarHBondContact O-N 3.05Å; L1384-G1386 VanDerWaalsContact C-N 3.33Å; L1384-I1387 PolarHBondContact O-N 2.94Å; L1384-M1388 WeakPolarHBondContact O-CB 3.42Å; L1384-M1388 WeakPolarHBondContact O-CG 3.48Å; L1384-M1388 PolarHBondContact O-N 3.04Å |
| 1385 | N | 43 | Very low | 41.6 | Very low | 57 Ų | 57 | 96.3 Ų | 96.3 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -30.7 | 173.5 | -76.9 | -20.8 | 0 | 0 | 0 | 112.5 | H1381 T1382 Y1383 K1389 | H1381-N1385 PolarHBondContact CD2-ND2 3.22Å; H1381-N1385 VanDerWaalsContact CD2-ND2 3.28Å; H1381-N1385 PolarHBondContact NE2-ND2 3Å; H1381-N1385 VanDerWaalsContact O-CB 3.22Å; H1381-N1385 WeakPolarHBondContact O-CB 3.31Å; H1381-N1385 PolarHBondContact O-N 3.37Å; H1381-N1385 PolarHBondContact O-ND2 3.2Å; T1382-N1385 CarbonylContact O-C 3.11Å; T1382-N1385 PolarHBondContact O-N 3.17Å; Y1383-N1385 VanDerWaalsContact C-N 3.35Å; Y1383-N1385 PolarHBondContact O-N 3.45Å; N1385-K1389 WeakPolarHBondContact O-CB 3.47Å; N1385-K1389 WeakPolarHBondContact O-CG 3.19Å; N1385-K1389 PolarHBondContact O-N 3.06Å |
| 1386 | G | 45.3 | Very low | 41.2 | Very low | 32 Ų | 32 | 94.1 Ų | 94.1 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1382 Y1383 L1384 K1389 Q1390 | T1382-G1386 PolarHBondContact O-N 3.42Å; Y1383-G1386 WeakPolarHBondContact O-CA 3.14Å; Y1383-G1386 PolarHBondContact O-N 3.34Å; Y1383-G1386 VanDerWaalsContact O-N 3.12Å; L1384-G1386 VanDerWaalsContact C-N 3.33Å; G1386-K1389 PolarHBondContact O-N 3.24Å; G1386-Q1390 PolarHBondContact O-N 2.97Å |
| 1387 | I | 44.9 | Very low | 40.7 | Very low | 62 Ų | 62 | 93.9 Ų | 93.9 | 32% | 0.318 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 171.7 | -67.9 | 165.1 | 0 | 0 | 0 | 110.1 | L1361 Y1383 L1384 K1389 Q1390 A1391 | L1361-I1387 HydrophobicContact CD1-CD1 4.03Å; Y1383-I1387 HydrophobicContact CD1-CD1 3.61Å; Y1383-I1387 HydrophobicContact CD1-CG1 4.47Å; Y1383-I1387 HydrophobicContact CE1-CD1 3.38Å; Y1383-I1387 HydrophobicContact CE1-CG1 4.31Å; Y1383-I1387 HydrophobicContact CG-CD1 4.44Å; Y1383-I1387 WeakPolarHBondContact O-CG1 3.5Å; Y1383-I1387 PolarHBondContact O-N 2.77Å; L1384-I1387 PolarHBondContact O-N 2.94Å; I1387-K1389 VanDerWaalsContact C-N 3.34Å; I1387-K1389 PolarHBondContact O-N 3.21Å; I1387-Q1390 PolarHBondContact O-N 2.85Å; I1387-A1391 WeakPolarHBondContact O-CB 3.39Å; I1387-A1391 PolarHBondContact O-N 3.04Å |
| 1388 | M | 42.9 | Very low | 40.1 | Very low | 87 Ų | 87 | 92.8 Ų | 92.8 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 175.5 | -72.8 | -149.5 | -59.8 | 0 | 0 | 112.2 | L1384 A1391 Q1392 | L1384-M1388 WeakPolarHBondContact O-CB 3.42Å; L1384-M1388 WeakPolarHBondContact O-CG 3.48Å; L1384-M1388 PolarHBondContact O-N 3.04Å; M1388-A1391 PolarHBondContact O-N 3.32Å; M1388-Q1392 VanDerWaalsContact O-CB 3.23Å; M1388-Q1392 WeakPolarHBondContact O-CB 3.31Å; M1388-Q1392 WeakPolarHBondContact O-CG 3.14Å; M1388-Q1392 PolarHBondContact O-N 3.2Å |
| 1389 | K | 40.9 | Very low | 39.4 | Very low | 141 Ų | 141 | 92.8 Ų | 92.8 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 172.9 | -86.5 | -177.8 | 176.3 | -178.1 | 0 | 112.3 | N1385 G1386 I1387 Q1392 L1393 | N1385-K1389 WeakPolarHBondContact O-CB 3.47Å; N1385-K1389 WeakPolarHBondContact O-CG 3.19Å; N1385-K1389 PolarHBondContact O-N 3.06Å; G1386-K1389 PolarHBondContact O-N 3.24Å; I1387-K1389 VanDerWaalsContact C-N 3.34Å; I1387-K1389 PolarHBondContact O-N 3.21Å; K1389-Q1392 PolarHBondContact O-N 2.76Å; K1389-L1393 WeakPolarHBondContact O-CB 3.49Å; K1389-L1393 WeakPolarHBondContact O-CD1 3.34Å; K1389-L1393 VanDerWaalsContact O-CG 3.3Å; K1389-L1393 WeakPolarHBondContact O-CG 3.43Å; K1389-L1393 PolarHBondContact O-N 3.5Å |
| 1390 | Q | 39.9 | Very low | 38.6 | Very low | 125 Ų | 125 | 91.7 Ų | 91.7 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 173 | -77.7 | -178.3 | -18.6 | 0 | 0 | 111 | G1386 I1387 Q1392 L1393 F1394 | G1386-Q1390 PolarHBondContact O-N 2.97Å; I1387-Q1390 PolarHBondContact O-N 2.85Å; Q1390-Q1392 VanDerWaalsContact C-N 3.3Å; Q1390-Q1392 PolarHBondContact O-N 3.04Å; Q1390-L1393 PolarHBondContact O-N 3.4Å; Q1390-F1394 VanDerWaalsContact O-CD2 3.24Å; Q1390-F1394 WeakPolarHBondContact O-CD2 3.23Å; Q1390-F1394 PolarHBondContact O-N 3.02Å; Q1390-F1394 VanDerWaalsContact O-N 3.07Å |
| 1391 | A | 40.8 | Very low | 37.8 | Very low | 34 Ų | 34 | 90.9 Ų | 90.9 | 28% | 0.281 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1387 M1388 T1395 I1408 | I1387-A1391 WeakPolarHBondContact O-CB 3.39Å; I1387-A1391 PolarHBondContact O-N 3.04Å; M1388-A1391 PolarHBondContact O-N 3.32Å; A1391-T1395 WeakPolarHBondContact O-CG2 3.37Å; A1391-I1408 HydrophobicContact CB-CD1 4.19Å |
| 1392 | Q | 33.5 | Very low | 37.2 | Very low | 92 Ų | 92 | 91.5 Ų | 91.5 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 174.3 | -78.7 | 174.5 | -8.4 | 0 | 0 | 112.7 | M1388 K1389 Q1390 F1394 T1395 S1396 | M1388-Q1392 VanDerWaalsContact O-CB 3.23Å; M1388-Q1392 WeakPolarHBondContact O-CB 3.31Å; M1388-Q1392 WeakPolarHBondContact O-CG 3.14Å; M1388-Q1392 PolarHBondContact O-N 3.2Å; K1389-Q1392 PolarHBondContact O-N 2.76Å; Q1390-Q1392 VanDerWaalsContact C-N 3.3Å; Q1390-Q1392 PolarHBondContact O-N 3.04Å; Q1392-F1394 VanDerWaalsContact C-N 3.26Å; Q1392-F1394 PolarHBondContact O-N 3.48Å; Q1392-T1395 PolarHBondContact O-N 3.4Å; Q1392-T1395 PolarHBondContact O-OG1 3.11Å; Q1392-S1396 PolarHBondContact O-N 3.47Å |
| 1393 | L | 30.6 | Very low | 36.6 | Very low | 122 Ų | 122 | 92.8 Ų | 92.8 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -31.6 | 175.9 | -83.6 | 162.1 | 0 | 0 | 0 | 112.1 | K1389 Q1390 T1395 | K1389-L1393 WeakPolarHBondContact O-CB 3.49Å; K1389-L1393 WeakPolarHBondContact O-CD1 3.34Å; K1389-L1393 VanDerWaalsContact O-CG 3.3Å; K1389-L1393 WeakPolarHBondContact O-CG 3.43Å; K1389-L1393 PolarHBondContact O-N 3.5Å; Q1390-L1393 PolarHBondContact O-N 3.4Å; L1393-T1395 PolarHBondContact O-N 2.95Å |
| 1394 | F | 34.5 | Very low | 35.9 | Very low | 177 Ų | 177 | 92.2 Ų | 92.2 | 78% | 0.776 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.2 | 171 | -86.1 | -73.8 | 0 | 0 | 0 | 113.5 | Q1390 Q1392 | Q1390-F1394 VanDerWaalsContact O-CD2 3.24Å; Q1390-F1394 WeakPolarHBondContact O-CD2 3.23Å; Q1390-F1394 PolarHBondContact O-N 3.02Å; Q1390-F1394 VanDerWaalsContact O-N 3.07Å; Q1392-F1394 VanDerWaalsContact C-N 3.26Å; Q1392-F1394 PolarHBondContact O-N 3.48Å |
| 1395 | T | 33.4 | Very low | 35.1 | Very low | 47 Ų | 47 | 96.6 Ų | 96.6 | 29% | 0.288 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -12 | -176.2 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | A1391 Q1392 L1393 S1397 | A1391-T1395 WeakPolarHBondContact O-CG2 3.37Å; Q1392-T1395 PolarHBondContact O-N 3.4Å; Q1392-T1395 PolarHBondContact O-OG1 3.11Å; L1393-T1395 PolarHBondContact O-N 2.95Å; T1395-S1397 VanDerWaalsContact C-N 3.28Å; T1395-S1397 PolarHBondContact O-N 3.11Å |
| 1396 | S | 30.7 | Very low | 34.7 | Very low | 99 Ų | 99 | 100 Ų | 100 | 69% | 0.692 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -0.3 | -177.6 | 56.4 | 0 | 0 | 0 | 0 | 115.4 | Q1392 | Q1392-S1396 PolarHBondContact O-N 3.47Š|
| 1397 | S | 32.5 | Very low | 34.3 | Very low | 108 Ų | 108 | 104.2 Ų | 104.2 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 11.1 | -178.5 | 56.2 | 0 | 0 | 0 | 0 | 115.9 | T1395 | T1395-S1397 VanDerWaalsContact C-N 3.28Å; T1395-S1397 PolarHBondContact O-N 3.11Å |
| 1398 | S | 31.4 | Very low | 33.8 | Very low | 61 Ų | 61 | 106.7 Ų | 106.7 | 43% | 0.427 | 58% | 0.578 | S | S | . | * | trans | -137 | 91.9 | 174.4 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | S1400 | S1398-S1400 PolarHBondContact O-N 3Š| ||
| 1399 | S | 28 | Very low | 33.6 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 81% | 0.811 | 58% | 0.579 | S | S | * | * | trans | -56.9 | 128.2 | 164 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1400 | S | 29.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 105.5 Ų | 105.5 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 91.5 | 77.5 | -178 | 75.4 | 0 | 0 | 0 | 0 | 116.8 | S1398 | S1398-S1400 PolarHBondContact O-N 3Š|
| 1401 | S | 29.7 | Very low | 33.5 | Very low | 61 Ų | 61 | 102 Ų | 102 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | trans | 168.6 | 113 | 135.7 | 45.6 | 0 | 0 | 0 | 0 | 109 | D1403 | S1401-D1403 PolarHBondContact O-N 3.49Å; S1401-D1403 VanDerWaalsContact O-N 3.11Å | ||
| 1402 | T | 31.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 104.1 Ų | 104.1 | 72% | 0.718 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 1.4 | 166.9 | 38 | 0 | 0 | 0 | 0 | 112.9 | Y1406 | T1402-Y1406 VanDerWaalsContact O-CD2 3.32Å; T1402-Y1406 WeakPolarHBondContact O-CD2 3.38Å; T1402-Y1406 WeakPolarHBondContact O-CE2 3.34Å |
| 1403 | D | 34.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 101.5 Ų | 101.5 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -25.3 | -178.4 | -66 | -27 | 0 | 0 | 0 | 113.4 | S1401 Y1405 Y1406 | S1401-D1403 PolarHBondContact O-N 3.49Å; S1401-D1403 VanDerWaalsContact O-N 3.11Å; D1403-Y1405 VanDerWaalsContact C-N 3.32Å; D1403-Y1405 PolarHBondContact O-N 2.95Å; D1403-Y1406 PolarHBondContact O-N 3.24Å |
| 1404 | Q | 30.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 100.7 Ų | 100.7 | 51% | 0.514 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -76.4 | -14 | -178.9 | -69.3 | -172.7 | -11.3 | 0 | 0 | 114.4 | Y1406 | Q1404-Y1406 PolarHBondContact O-N 3.43Š|
| 1405 | Y | 29.6 | Very low | 34.7 | Very low | 146 Ų | 146 | 93.8 Ų | 93.8 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -69.5 | -21.1 | 172.4 | -106.9 | -88.6 | 0 | 0 | 0 | 112.6 | D1403 | D1403-Y1405 VanDerWaalsContact C-N 3.32Å; D1403-Y1405 PolarHBondContact O-N 2.95Å |
| 1406 | Y | 34.8 | Very low | 35 | Very low | 129 Ų | 129 | 94.2 Ų | 94.2 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -94.2 | -8.2 | -172.1 | -67.9 | -80.3 | 0 | 0 | 0 | 114.3 | T1402 D1403 Q1404 I1442 | T1402-Y1406 VanDerWaalsContact O-CD2 3.32Å; T1402-Y1406 WeakPolarHBondContact O-CD2 3.38Å; T1402-Y1406 WeakPolarHBondContact O-CE2 3.34Å; D1403-Y1406 PolarHBondContact O-N 3.24Å; Q1404-Y1406 PolarHBondContact O-N 3.43Å; Y1406-I1442 HydrophobicContact CD1-CG1 4.48Å; Y1406-I1442 HydrophobicContact CD1-CG2 4.41Å; Y1406-I1442 HydrophobicContact CE1-CG1 4.14Å |
| 1407 | D | 36.4 | Very low | 35.6 | Very low | 121 Ų | 121 | 92.7 Ų | 92.7 | 65% | 0.647 | 52% | 0.523 | S | S | * | . | trans | -88.3 | -3 | -179.4 | -80.5 | -22.5 | 0 | 0 | 0 | 114.6 | S1409 | D1407-S1409 WeakPolarHBondContact O-CB 3.47Å; D1407-S1409 PolarHBondContact O-N 3.01Å | ||
| 1408 | I | 34.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 89.7 Ų | 89.7 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -71 | 79.6 | 159.2 | -56.4 | 176.7 | 0 | 0 | 0 | 106.6 | A1391 | A1391-I1408 HydrophobicContact CB-CD1 4.19Š|
| 1409 | S | 39.9 | Very low | 36.4 | Very low | 65 Ų | 65 | 89.6 Ų | 89.6 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -73.8 | 159.3 | -149.4 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | D1407 P1411 L1412 | D1407-S1409 WeakPolarHBondContact O-CB 3.47Å; D1407-S1409 PolarHBondContact O-N 3.01Å; S1409-P1411 WeakPolarHBondContact O-CD 3.49Å; S1409-P1411 WeakPolarHBondContact OG-CD 3.41Å; S1409-L1412 PolarHBondContact O-N 3.45Å | ||
| 1410 | L | 37.7 | Very low | 37 | Very low | 139 Ų | 139 | 85 Ų | 85 | 73% | 0.728 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -23.3 | -38.6 | 168.4 | -115.6 | 83.3 | 0 | 0 | 0 | 118 | L1412 A1413 Y1414 | L1410-L1412 VanDerWaalsContact C-N 3.32Å; L1410-L1412 PolarHBondContact O-N 3.39Å; L1410-A1413 PolarHBondContact O-N 3.08Å; L1410-Y1414 WeakPolarHBondContact O-CB 3.35Å; L1410-Y1414 PolarHBondContact O-N 3.32Å |
| 1411 | P | 39.7 | Very low | 37.5 | Very low | 52 Ų | 52 | 85 Ų | 85 | 34% | 0.338 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -36 | 177.6 | -26.9 | 37.3 | 0 | 0 | 0 | 114.1 | S1409 Y1414 N1415 | S1409-P1411 WeakPolarHBondContact O-CD 3.49Å; S1409-P1411 WeakPolarHBondContact OG-CD 3.41Å; P1411-Y1414 PolarHBondContact O-N 3.46Å; P1411-N1415 WeakPolarHBondContact O-CB 3.31Å; P1411-N1415 PolarHBondContact O-N 3.31Å; P1411-N1415 PolarHBondContact O-ND2 3.38Å |
| 1412 | L | 40.7 | Very low | 37.7 | Very low | 77 Ų | 77 | 87.4 Ų | 87.4 | 40% | 0.403 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 177.7 | -158.5 | 120.3 | 0 | 0 | 0 | 110.7 | L1358 S1409 L1410 N1415 L1416 | L1358-L1412 HydrophobicContact CD2-CD1 4.22Å; S1409-L1412 PolarHBondContact O-N 3.45Å; L1410-L1412 VanDerWaalsContact C-N 3.32Å; L1410-L1412 PolarHBondContact O-N 3.39Å; L1412-N1415 PolarHBondContact O-N 2.74Å; L1412-L1416 HydrophobicContact CD2-CD1 3.74Å; L1412-L1416 HydrophobicContact CG-CD1 4.45Å; L1412-L1416 WeakPolarHBondContact O-CB 3.21Å; L1412-L1416 VanDerWaalsContact O-CG 3.26Å; L1412-L1416 WeakPolarHBondContact O-CG 3.11Å; L1412-L1416 PolarHBondContact O-N 3.35Å |
| 1413 | A | 40.5 | Very low | 37.9 | Very low | 38 Ų | 38 | 85.6 Ų | 85.6 | 31% | 0.314 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1410 S1417 | L1410-A1413 PolarHBondContact O-N 3.08Å; A1413-S1417 WeakPolarHBondContact O-CB 3.48Å; A1413-S1417 PolarHBondContact O-N 2.94Å; A1413-S1417 PolarHBondContact O-OG 2.92Å |
| 1414 | Y | 42.6 | Very low | 38 | Very low | 104 Ų | 104 | 82.2 Ų | 82.2 | 41% | 0.408 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 174 | -179.5 | -100.7 | 0 | 0 | 0 | 111.1 | L1410 P1411 S1417 Q1418 | L1410-Y1414 WeakPolarHBondContact O-CB 3.35Å; L1410-Y1414 PolarHBondContact O-N 3.32Å; P1411-Y1414 PolarHBondContact O-N 3.46Å; Y1414-S1417 PolarHBondContact O-N 3.16Å; Y1414-S1417 PolarHBondContact O-OG 3.27Å; Y1414-Q1418 VanDerWaalsContact CZ-NE2 3.28Å; Y1414-Q1418 PolarHBondContact O-N 2.95Å; Y1414-Q1418 VanDerWaalsContact O-N 3.13Å; Y1414-Q1418 PolarHBondContact OH-NE2 2.93Å |
| 1415 | N | 40.7 | Very low | 38.7 | Very low | 32 Ų | 32 | 86.5 Ų | 86.5 | 17% | 0.171 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 179.3 | -68.7 | -21.5 | 0 | 0 | 0 | 112 | P1411 L1412 S1417 Q1418 I1419 | P1411-N1415 WeakPolarHBondContact O-CB 3.31Å; P1411-N1415 PolarHBondContact O-N 3.31Å; P1411-N1415 PolarHBondContact O-ND2 3.38Å; L1412-N1415 PolarHBondContact O-N 2.74Å; N1415-S1417 PolarHBondContact O-N 3.36Å; N1415-Q1418 PolarHBondContact O-N 3.3Å; N1415-I1419 WeakPolarHBondContact O-CD1 3.25Å; N1415-I1419 VanDerWaalsContact O-CG1 3.28Å; N1415-I1419 WeakPolarHBondContact O-CG1 3.37Å; N1415-I1419 PolarHBondContact O-N 3.36Å; N1415-I1419 VanDerWaalsContact O-N 3.09Å |
| 1416 | L | 40.3 | Very low | 38.9 | Very low | 56 Ų | 56 | 86.7 Ų | 86.7 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 173.3 | -74.8 | 170 | 0 | 0 | 0 | 112.8 | L1412 I1419 G1420 L1435 | L1412-L1416 HydrophobicContact CD2-CD1 3.74Å; L1412-L1416 HydrophobicContact CG-CD1 4.45Å; L1412-L1416 WeakPolarHBondContact O-CB 3.21Å; L1412-L1416 VanDerWaalsContact O-CG 3.26Å; L1412-L1416 WeakPolarHBondContact O-CG 3.11Å; L1412-L1416 PolarHBondContact O-N 3.35Å; L1416-I1419 HydrophobicContact CD2-CD1 4.17Å; L1416-I1419 WeakPolarHBondContact O-CB 3.38Å; L1416-I1419 PolarHBondContact O-N 3.46Å; L1416-G1420 PolarHBondContact O-N 2.96Å; L1416-L1435 HydrophobicContact CD1-CD2 4.27Å |
| 1417 | S | 43.1 | Very low | 39.3 | Very low | 68 Ų | 68 | 82.2 Ų | 82.2 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 173.9 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | A1413 Y1414 N1415 I1419 G1420 V1421 | A1413-S1417 WeakPolarHBondContact O-CB 3.48Å; A1413-S1417 PolarHBondContact O-N 2.94Å; A1413-S1417 PolarHBondContact O-OG 2.92Å; Y1414-S1417 PolarHBondContact O-N 3.16Å; Y1414-S1417 PolarHBondContact O-OG 3.27Å; N1415-S1417 PolarHBondContact O-N 3.36Å; S1417-I1419 VanDerWaalsContact C-N 3.26Å; S1417-I1419 PolarHBondContact O-N 3.44Å; S1417-G1420 PolarHBondContact O-N 2.89Å; S1417-V1421 PolarHBondContact O-N 3.32Å |
| 1418 | Q | 42.4 | Very low | 39.3 | Very low | 44 Ų | 44 | 82.7 Ų | 82.7 | 21% | 0.206 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.8 | -28 | 173.5 | -67.9 | -160.9 | -4.1 | 0 | 0 | 112.4 | Y1414 N1415 V1421 W1483 | Y1414-Q1418 VanDerWaalsContact CZ-NE2 3.28Å; Y1414-Q1418 PolarHBondContact O-N 2.95Å; Y1414-Q1418 VanDerWaalsContact O-N 3.13Å; Y1414-Q1418 PolarHBondContact OH-NE2 2.93Å; N1415-Q1418 PolarHBondContact O-N 3.3Å; Q1418-V1421 WeakPolarHBondContact O-CB 3.23Å; Q1418-V1421 PolarHBondContact O-N 2.65Å; Q1418-W1483 VanDerWaalsContact NE2-CH2 3.33Å; Q1418-W1483 VanDerWaalsContact OE1-CZ3 3.3Å |
| 1419 | I | 39.4 | Very low | 39.7 | Very low | 59 Ų | 59 | 84.1 Ų | 84.1 | 30% | 0.303 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.1 | -37.7 | 173.5 | -66.4 | 161.2 | 0 | 0 | 0 | 111.2 | L1365 N1415 L1416 S1417 V1421 R1422 L1423 | L1365-I1419 HydrophobicContact CD1-CD1 3.83Å; N1415-I1419 WeakPolarHBondContact O-CD1 3.25Å; N1415-I1419 VanDerWaalsContact O-CG1 3.28Å; N1415-I1419 WeakPolarHBondContact O-CG1 3.37Å; N1415-I1419 PolarHBondContact O-N 3.36Å; N1415-I1419 VanDerWaalsContact O-N 3.09Å; L1416-I1419 HydrophobicContact CD2-CD1 4.17Å; L1416-I1419 WeakPolarHBondContact O-CB 3.38Å; L1416-I1419 PolarHBondContact O-N 3.46Å; S1417-I1419 VanDerWaalsContact C-N 3.26Å; S1417-I1419 PolarHBondContact O-N 3.44Å; I1419-V1421 PolarHBondContact O-N 2.95Å; I1419-R1422 WeakPolarHBondContact O-CB 3.42Å; I1419-R1422 PolarHBondContact O-N 3.25Å; I1419-L1423 HydrophobicContact CG2-CD1 4.35Å; I1419-L1423 PolarHBondContact O-N 2.81Å |
| 1420 | G | 39.8 | Very low | 39.8 | Very low | 21 Ų | 21 | 83.1 Ų | 83.1 | 22% | 0.216 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.6 | -36 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1416 S1417 R1422 L1423 I1427 | L1416-G1420 PolarHBondContact O-N 2.96Å; S1417-G1420 PolarHBondContact O-N 2.89Å; G1420-R1422 VanDerWaalsContact C-N 3.27Å; G1420-R1422 PolarHBondContact O-N 2.98Å; G1420-L1423 PolarHBondContact O-N 3.29Å; G1420-I1427 VanDerWaalsContact O-CD1 3.27Å; G1420-I1427 WeakPolarHBondContact O-CD1 3.47Å |
| 1421 | V | 39.4 | Very low | 40 | Very low | 116 Ų | 116 | 82.8 Ų | 82.8 | 70% | 0.703 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.4 | -28.1 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | S1417 Q1418 I1419 | S1417-V1421 PolarHBondContact O-N 3.32Å; Q1418-V1421 WeakPolarHBondContact O-CB 3.23Å; Q1418-V1421 PolarHBondContact O-N 2.65Å; I1419-V1421 PolarHBondContact O-N 2.95Å |
| 1422 | R | 34.2 | Very low | 39.9 | Very low | 111 Ų | 111 | 86.1 Ų | 86.1 | 42% | 0.419 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76 | -21.7 | 175.4 | -118.9 | -173.8 | -174.9 | -169 | 1.9 | 113.4 | I1419 G1420 N1481 | I1419-R1422 WeakPolarHBondContact O-CB 3.42Å; I1419-R1422 PolarHBondContact O-N 3.25Å; G1420-R1422 VanDerWaalsContact C-N 3.27Å; G1420-R1422 PolarHBondContact O-N 2.98Å; R1422-N1481 PolarHBondContact NH2-OD1 3.49Å |
| 1423 | L | 36.3 | Very low | 40.1 | Very low | 79 Ų | 79 | 83.3 Ų | 83.3 | 41% | 0.414 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -90.6 | 2.6 | -167 | -76.4 | 169.2 | 0 | 0 | 0 | 116.1 | I1419 G1420 I1427 L1430 | I1419-L1423 HydrophobicContact CG2-CD1 4.35Å; I1419-L1423 PolarHBondContact O-N 2.81Å; G1420-L1423 PolarHBondContact O-N 3.29Å; L1423-I1427 HydrophobicContact CB-CD1 3.75Å; L1423-I1427 HydrophobicContact CB-CG1 4.25Å; L1423-L1430 HydrophobicContact CD1-CD1 4.21Å |
| 1424 | G | 37 | Very low | 39.8 | Very low | 46 Ų | 46 | 86.8 Ų | 86.8 | 47% | 0.474 | 46% | 0.458 | S | S | . | . | trans | 68.4 | -176.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1426 I1427 | G1424-D1426 PolarHBondContact O-N 3.15Å; G1424-I1427 WeakPolarHBondContact O-CD1 3.47Å; G1424-I1427 WeakPolarHBondContact O-CG1 3.36Å | ||
| 1425 | Q | 43.3 | Very low | 39.7 | Very low | 200 Ų | 200 | 85.2 Ų | 85.2 | 94% | 0.935 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -78.5 | 2.2 | -161.5 | -74.9 | -178.2 | -19.1 | 0 | 0 | 117.3 | I1427 | Q1425-I1427 PolarHBondContact O-N 3.18Š|
| 1426 | D | 33.8 | Very low | 39.8 | Very low | 150 Ų | 150 | 85.2 Ų | 85.2 | 80% | 0.802 | 46% | 0.459 | S | S | * | . | trans | -101 | 48.2 | 178.5 | -69.5 | -29 | 0 | 0 | 0 | 112.6 | G1424 | G1424-D1426 PolarHBondContact O-N 3.15Š| ||
| 1427 | I | 43.7 | Very low | 39.6 | Very low | 35 Ų | 35 | 89 Ų | 89 | 18% | 0.179 | 47% | 0.473 | C | S | . | . | trans | -97.9 | 17.1 | -172.4 | -68.1 | 174.2 | 0 | 0 | 0 | 113.1 | G1420 L1423 G1424 Q1425 W1429 L1430 M1431 | G1420-I1427 VanDerWaalsContact O-CD1 3.27Å; G1420-I1427 WeakPolarHBondContact O-CD1 3.47Å; L1423-I1427 HydrophobicContact CB-CD1 3.75Å; L1423-I1427 HydrophobicContact CB-CG1 4.25Å; G1424-I1427 WeakPolarHBondContact O-CD1 3.47Å; G1424-I1427 WeakPolarHBondContact O-CG1 3.36Å; Q1425-I1427 PolarHBondContact O-N 3.18Å; I1427-W1429 PolarHBondContact O-N 3.41Å; I1427-W1429 VanDerWaalsContact O-N 3.09Å; I1427-L1430 HydrophobicContact CG2-CB 3.62Å; I1427-L1430 HydrophobicContact CG2-CD2 4.47Å; I1427-L1430 PolarHBondContact O-N 2.98Å; I1427-L1430 VanDerWaalsContact O-N 3.08Å; I1427-M1431 HydrophobicContact CG2-CG 4.21Å; I1427-M1431 PolarHBondContact O-N 3.32Å; I1427-M1431 VanDerWaalsContact O-N 3.07Å | ||
| 1428 | D | 37.8 | Very low | 39.4 | Very low | 132 Ų | 132 | 90.5 Ų | 90.5 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -55.9 | -32.5 | 177.7 | -83.9 | -9 | 0 | 0 | 0 | 113.2 | N1432 | D1428-N1432 VanDerWaalsContact O-CB 3.28Å; D1428-N1432 WeakPolarHBondContact O-CB 3.22Å; D1428-N1432 VanDerWaalsContact O-CG 3.28Å; D1428-N1432 PolarHBondContact O-N 2.7Å; D1428-N1432 VanDerWaalsContact O-N 3.15Å; D1428-N1432 PolarHBondContact O-ND2 2.88Å |
| 1429 | W | 42 | Very low | 39.2 | Very low | 143 Ų | 143 | 91.7 Ų | 91.7 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.8 | -32.6 | 178.7 | 73.5 | -87.8 | 0 | 0 | 0 | 113.5 | I1377 I1427 N1432 S1433 | I1377-W1429 HydrophobicContact CG2-CH2 4.38Å; I1427-W1429 PolarHBondContact O-N 3.41Å; I1427-W1429 VanDerWaalsContact O-N 3.09Å; W1429-N1432 CarbonylContact O-C 3.59Å; W1429-S1433 WeakPolarHBondContact O-CB 3.29Å; W1429-S1433 PolarHBondContact O-N 2.68Å |
| 1430 | L | 42.2 | Very low | 39.1 | Very low | 43 Ų | 43 | 96.7 Ų | 96.7 | 23% | 0.225 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -78.8 | -37.6 | -179.3 | -153 | 139.5 | 0 | 0 | 0 | 110.3 | L1423 I1427 N1432 S1433 C1436 | L1423-L1430 HydrophobicContact CD1-CD1 4.21Å; I1427-L1430 HydrophobicContact CG2-CB 3.62Å; I1427-L1430 HydrophobicContact CG2-CD2 4.47Å; I1427-L1430 PolarHBondContact O-N 2.98Å; I1427-L1430 VanDerWaalsContact O-N 3.08Å; L1430-N1432 VanDerWaalsContact C-N 3.29Å; L1430-N1432 PolarHBondContact O-N 3.32Å; L1430-S1433 WeakPolarHBondContact O-CB 3.46Å; L1430-S1433 PolarHBondContact O-N 2.97Å; L1430-S1433 VanDerWaalsContact O-N 3.15Å; L1430-S1433 PolarHBondContact O-OG 3Å; L1430-C1436 WeakPolarHBondContact O-CB 3.29Å; L1430-C1436 PolarHBondContact O-SG 3.14Å; L1430-C1436 VanDerWaalsContact O-SG 3.33Å |
| 1431 | M | 40.9 | Very low | 38.8 | Very low | 132 Ų | 132 | 101 Ų | 101 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -36.1 | 169.9 | -71.9 | -64.8 | -77.1 | 0 | 0 | 112 | I1427 | I1427-M1431 HydrophobicContact CG2-CG 4.21Å; I1427-M1431 PolarHBondContact O-N 3.32Å; I1427-M1431 VanDerWaalsContact O-N 3.07Å |
| 1432 | N | 38.4 | Very low | 38.6 | Very low | 123 Ų | 123 | 99.1 Ų | 99.1 | 66% | 0.658 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.3 | 174.9 | -73.4 | -41.8 | 0 | 0 | 0 | 114.3 | D1428 W1429 L1430 | D1428-N1432 VanDerWaalsContact O-CB 3.28Å; D1428-N1432 WeakPolarHBondContact O-CB 3.22Å; D1428-N1432 VanDerWaalsContact O-CG 3.28Å; D1428-N1432 PolarHBondContact O-N 2.7Å; D1428-N1432 VanDerWaalsContact O-N 3.15Å; D1428-N1432 PolarHBondContact O-ND2 2.88Å; W1429-N1432 CarbonylContact O-C 3.59Å; L1430-N1432 VanDerWaalsContact C-N 3.29Å; L1430-N1432 PolarHBondContact O-N 3.32Å |
| 1433 | S | 44.4 | Very low | 38.7 | Very low | 18 Ų | 18 | 96.6 Ų | 96.6 | 13% | 0.126 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -70.4 | 147 | -177.6 | 77.2 | 0 | 0 | 0 | 0 | 111.5 | W1429 L1430 L1435 C1436 K1437 | W1429-S1433 WeakPolarHBondContact O-CB 3.29Å; W1429-S1433 PolarHBondContact O-N 2.68Å; L1430-S1433 WeakPolarHBondContact O-CB 3.46Å; L1430-S1433 PolarHBondContact O-N 2.97Å; L1430-S1433 VanDerWaalsContact O-N 3.15Å; L1430-S1433 PolarHBondContact O-OG 3Å; S1433-L1435 PolarHBondContact O-N 3.37Å; S1433-C1436 PolarHBondContact O-N 3.01Å; S1433-C1436 VanDerWaalsContact O-N 3.15Å; S1433-K1437 PolarHBondContact O-N 2.98Å |
| 1434 | P | 34.5 | Very low | 38.5 | Very low | 111 Ų | 111 | 94.6 Ų | 94.6 | 72% | 0.721 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.8 | -19.6 | 175.3 | 20.7 | -31 | 0 | 0 | 0 | 113 | L1438 | P1434-L1438 WeakPolarHBondContact O-CB 3.49Å; P1434-L1438 PolarHBondContact O-N 3.12Å |
| 1435 | L | 40.2 | Very low | 38.1 | Very low | 71 Ų | 71 | 99.1 Ų | 99.1 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.8 | -40.7 | 178.6 | -153.6 | 139.1 | 0 | 0 | 0 | 112.1 | L1416 S1433 L1438 I1439 | L1416-L1435 HydrophobicContact CD1-CD2 4.27Å; S1433-L1435 PolarHBondContact O-N 3.37Å; L1435-L1438 PolarHBondContact O-N 2.73Å; L1435-I1439 HydrophobicContact CD2-CD1 4.03Å; L1435-I1439 WeakPolarHBondContact O-CG1 3.35Å; L1435-I1439 PolarHBondContact O-N 2.93Å |
| 1436 | C | 42.3 | Very low | 37.6 | Very low | 32 Ų | 32 | 96 Ų | 96 | 22% | 0.216 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 171.4 | -90.5 | 0 | 0 | 0 | 0 | 112.2 | L1430 S1433 L1438 I1439 Y1440 | L1430-C1436 WeakPolarHBondContact O-CB 3.29Å; L1430-C1436 PolarHBondContact O-SG 3.14Å; L1430-C1436 VanDerWaalsContact O-SG 3.33Å; S1433-C1436 PolarHBondContact O-N 3.01Å; S1433-C1436 VanDerWaalsContact O-N 3.15Å; C1436-L1438 VanDerWaalsContact C-N 3.31Å; C1436-L1438 PolarHBondContact O-N 3.45Å; C1436-I1439 PolarHBondContact O-N 3.14Å; C1436-Y1440 WeakPolarHBondContact O-CB 3.17Å; C1436-Y1440 PolarHBondContact O-N 3.11Å |
| 1437 | K | 36.8 | Very low | 37.3 | Very low | 135 Ų | 135 | 92.5 Ų | 92.5 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | 171.4 | -81.4 | -177.1 | 176.8 | 176.9 | 0 | 111.8 | S1433 Y1440 E1441 | S1433-K1437 PolarHBondContact O-N 2.98Å; K1437-Y1440 PolarHBondContact O-N 3.41Å; K1437-E1441 WeakPolarHBondContact O-CB 3.4Å; K1437-E1441 WeakPolarHBondContact O-CG 3.17Å; K1437-E1441 PolarHBondContact O-N 2.72Å |
| 1438 | L | 38.3 | Very low | 36.6 | Very low | 100 Ų | 100 | 97.7 Ų | 97.7 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 174.6 | -163.7 | 93.1 | 0 | 0 | 0 | 111.6 | P1434 L1435 C1436 Y1440 E1441 I1442 | P1434-L1438 WeakPolarHBondContact O-CB 3.49Å; P1434-L1438 PolarHBondContact O-N 3.12Å; L1435-L1438 PolarHBondContact O-N 2.73Å; C1436-L1438 VanDerWaalsContact C-N 3.31Å; C1436-L1438 PolarHBondContact O-N 3.45Å; L1438-Y1440 VanDerWaalsContact C-N 3.3Å; L1438-Y1440 PolarHBondContact O-N 2.96Å; L1438-E1441 PolarHBondContact O-N 3.42Å; L1438-I1442 HydrophobicContact CD2-CD1 4.02Å; L1438-I1442 HydrophobicContact CG-CD1 4Å; L1438-I1442 WeakPolarHBondContact O-CB 3.48Å; L1438-I1442 WeakPolarHBondContact O-CD1 3.44Å; L1438-I1442 WeakPolarHBondContact O-CG1 3.47Å; L1438-I1442 PolarHBondContact O-N 3.36Å |
| 1439 | I | 39.1 | Very low | 36.3 | Very low | 69 Ų | 69 | 98.4 Ų | 98.4 | 35% | 0.354 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 175.6 | -67 | 166.5 | 0 | 0 | 0 | 110.5 | L1435 C1436 S1443 | L1435-I1439 HydrophobicContact CD2-CD1 4.03Å; L1435-I1439 WeakPolarHBondContact O-CG1 3.35Å; L1435-I1439 PolarHBondContact O-N 2.93Å; C1436-I1439 PolarHBondContact O-N 3.14Å; I1439-S1443 PolarHBondContact O-N 3.17Å; I1439-S1443 VanDerWaalsContact O-N 3.15Å; I1439-S1443 PolarHBondContact O-OG 2.82Å |
| 1440 | Y | 36.6 | Very low | 35.9 | Very low | 163 Ų | 163 | 98.8 Ų | 98.8 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.8 | -43.8 | 177.6 | -167.6 | -95.5 | 0 | 0 | 0 | 111.9 | C1436 K1437 L1438 S1443 S1444 | C1436-Y1440 WeakPolarHBondContact O-CB 3.17Å; C1436-Y1440 PolarHBondContact O-N 3.11Å; K1437-Y1440 PolarHBondContact O-N 3.41Å; L1438-Y1440 VanDerWaalsContact C-N 3.3Å; L1438-Y1440 PolarHBondContact O-N 2.96Å; Y1440-S1443 PolarHBondContact O-N 3.47Å; Y1440-S1443 PolarHBondContact O-OG 3.32Å; Y1440-S1444 WeakPolarHBondContact O-CB 3.41Å; Y1440-S1444 PolarHBondContact O-N 3.23Å; Y1440-S1444 PolarHBondContact O-OG 3.28Å |
| 1441 | E | 34.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 177.5 | -80.2 | -179 | 178.8 | 0 | 0 | 112.8 | K1437 L1438 S1443 S1444 K1445 | K1437-E1441 WeakPolarHBondContact O-CB 3.4Å; K1437-E1441 WeakPolarHBondContact O-CG 3.17Å; K1437-E1441 PolarHBondContact O-N 2.72Å; L1438-E1441 PolarHBondContact O-N 3.42Å; E1441-S1443 VanDerWaalsContact C-N 3.26Å; E1441-S1443 PolarHBondContact O-N 3.18Å; E1441-S1444 PolarHBondContact O-N 3.49Å; E1441-S1444 PolarHBondContact O-OG 3.27Å; E1441-K1445 PolarHBondContact O-N 3.3Å; E1441-K1445 VanDerWaalsContact O-N 3.1Å |
| 1442 | I | 35.6 | Very low | 34.8 | Very low | 76 Ų | 76 | 103.7 Ų | 103.7 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 174.3 | -66.2 | 164.4 | 0 | 0 | 0 | 110 | Y1406 L1438 | Y1406-I1442 HydrophobicContact CD1-CG1 4.48Å; Y1406-I1442 HydrophobicContact CD1-CG2 4.41Å; Y1406-I1442 HydrophobicContact CE1-CG1 4.14Å; L1438-I1442 HydrophobicContact CD2-CD1 4.02Å; L1438-I1442 HydrophobicContact CG-CD1 4Å; L1438-I1442 WeakPolarHBondContact O-CB 3.48Å; L1438-I1442 WeakPolarHBondContact O-CD1 3.44Å; L1438-I1442 WeakPolarHBondContact O-CG1 3.47Å; L1438-I1442 PolarHBondContact O-N 3.36Å |
| 1443 | S | 35.6 | Very low | 34.2 | Very low | 59 Ų | 59 | 104.3 Ų | 104.3 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.5 | -37.9 | 179.4 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | I1439 Y1440 E1441 | I1439-S1443 PolarHBondContact O-N 3.17Å; I1439-S1443 VanDerWaalsContact O-N 3.15Å; I1439-S1443 PolarHBondContact O-OG 2.82Å; Y1440-S1443 PolarHBondContact O-N 3.47Å; Y1440-S1443 PolarHBondContact O-OG 3.32Å; E1441-S1443 VanDerWaalsContact C-N 3.26Å; E1441-S1443 PolarHBondContact O-N 3.18Å |
| 1444 | S | 32.7 | Very low | 33.3 | Very low | 37 Ų | 37 | 108.7 Ų | 108.7 | 26% | 0.259 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.9 | -34.4 | -174.6 | 67.7 | 0 | 0 | 0 | 0 | 113 | Y1440 E1441 K1446 Q1447 M1448 | Y1440-S1444 WeakPolarHBondContact O-CB 3.41Å; Y1440-S1444 PolarHBondContact O-N 3.23Å; Y1440-S1444 PolarHBondContact O-OG 3.28Å; E1441-S1444 PolarHBondContact O-N 3.49Å; E1441-S1444 PolarHBondContact O-OG 3.27Å; S1444-K1446 VanDerWaalsContact C-N 3.33Å; S1444-K1446 PolarHBondContact O-N 3.37Å; S1444-Q1447 WeakPolarHBondContact O-CB 3.3Å; S1444-Q1447 PolarHBondContact O-N 3.29Å; S1444-M1448 PolarHBondContact O-N 3.23Å |
| 1445 | K | 28.9 | Very low | 32.9 | Very low | 141 Ų | 141 | 110.5 Ų | 110.5 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -34.3 | 175.7 | -85.8 | -174.2 | 174.5 | 177.5 | 0 | 112.9 | E1441 Q1447 M1448 | E1441-K1445 PolarHBondContact O-N 3.3Å; E1441-K1445 VanDerWaalsContact O-N 3.1Å; K1445-Q1447 PolarHBondContact O-N 2.94Å; K1445-M1448 PolarHBondContact O-N 3.25Å |
| 1446 | K | 31.9 | Very low | 32.2 | Very low | 134 Ų | 134 | 114 Ų | 114 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.6 | -19.8 | 171 | -90 | -169.1 | 175.2 | 178.9 | 0 | 113.2 | S1444 Y1450 | S1444-K1446 VanDerWaalsContact C-N 3.33Å; S1444-K1446 PolarHBondContact O-N 3.37Å; K1446-Y1450 WeakPolarHBondContact O-CD2 3.47Å |
| 1447 | Q | 28.4 | Very low | 31.6 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 36% | 0.355 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.7 | -40.5 | 177.7 | -149.3 | 171.3 | -8.7 | 0 | 0 | 111.2 | S1444 K1445 Y1450 E1451 | S1444-Q1447 WeakPolarHBondContact O-CB 3.3Å; S1444-Q1447 PolarHBondContact O-N 3.29Å; K1445-Q1447 PolarHBondContact O-N 2.94Å; Q1447-Y1450 PolarHBondContact O-N 2.65Å; Q1447-E1451 WeakPolarHBondContact O-CG 3.24Å; Q1447-E1451 PolarHBondContact O-N 2.7Å; Q1447-E1451 VanDerWaalsContact O-N 3.17Å |
| 1448 | M | 28.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 118.3 Ų | 118.3 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.3 | -33.3 | 179.2 | -80.3 | -135.7 | -74 | 0 | 0 | 114.2 | S1444 K1445 Y1450 | S1444-M1448 PolarHBondContact O-N 3.23Å; K1445-M1448 PolarHBondContact O-N 3.25Å; M1448-Y1450 VanDerWaalsContact C-N 3.29Å; M1448-Y1450 PolarHBondContact O-N 3.11Å |
| 1449 | E | 31.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 119 Ų | 119 | 69% | 0.692 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.6 | -25.6 | 176.7 | -75.1 | -177.9 | 167 | 0 | 0 | 112.7 | ||
| 1450 | Y | 33.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -93.7 | -20.1 | -176.9 | -82.9 | -95.9 | 0 | 0 | 0 | 114 | K1446 Q1447 M1448 N1452 L1453 | K1446-Y1450 WeakPolarHBondContact O-CD2 3.47Å; Q1447-Y1450 PolarHBondContact O-N 2.65Å; M1448-Y1450 VanDerWaalsContact C-N 3.29Å; M1448-Y1450 PolarHBondContact O-N 3.11Å; Y1450-N1452 VanDerWaalsContact C-N 3.26Å; Y1450-N1452 PolarHBondContact O-N 3.37Å; Y1450-L1453 PolarHBondContact O-N 3.18Å |
| 1451 | E | 29.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 119 Ų | 119 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -16.8 | 177.7 | -81.3 | 178.4 | -179.5 | 0 | 0 | 114 | Q1447 L1453 | Q1447-E1451 WeakPolarHBondContact O-CG 3.24Å; Q1447-E1451 PolarHBondContact O-N 2.7Å; Q1447-E1451 VanDerWaalsContact O-N 3.17Å; E1451-L1453 PolarHBondContact O-N 3.37Å |
| 1452 | N | 29.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 0.7 | 172.2 | -83.7 | -20.7 | 0 | 0 | 0 | 114.4 | Y1450 | Y1450-N1452 VanDerWaalsContact C-N 3.26Å; Y1450-N1452 PolarHBondContact O-N 3.37Å |
| 1453 | L | 26.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 71% | 0.707 | 62% | 0.622 | S | S | * | * | trans | -113.2 | 77.3 | 174.2 | -75.3 | 160.3 | 0 | 0 | 0 | 109.9 | Y1450 E1451 N1455 | Y1450-L1453 PolarHBondContact O-N 3.18Å; E1451-L1453 PolarHBondContact O-N 3.37Å; L1453-N1455 PolarHBondContact O-N 2.88Å | ||
| 1454 | S | 25.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 32.4 | -173.3 | 52.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1455 | N | 27 | Very low | 28.4 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 16.2 | -175.7 | -88.8 | -14.1 | 0 | 0 | 0 | 117.5 | L1453 | L1453-N1455 PolarHBondContact O-N 2.88Š|
| 1456 | L | 25.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -142.5 | 100.1 | 176.5 | -80.7 | 165.3 | 0 | 0 | 0 | 113.2 | D1458 | L1456-D1458 PolarHBondContact O-N 3.05Š| ||
| 1457 | P | 28.7 | Very low | 28.4 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 66% | 0.655 | S | S | * | * | trans | -78.2 | 6 | -176.5 | -14.3 | 29.8 | 0 | 0 | 0 | 117.9 | ||||
| 1458 | D | 28.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | trans | -102.7 | 9.4 | -164.1 | -89.9 | -12.2 | 0 | 0 | 0 | 117.6 | L1456 | L1456-D1458 PolarHBondContact O-N 3.05Š| ||
| 1459 | L | 27.9 | Very low | 28.2 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 59% | 0.592 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -102.7 | -16.9 | -164.6 | -94 | 154.5 | 0 | 0 | 0 | 118.5 | ||
| 1460 | F | 27 | Very low | 28.4 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 52% | 0.518 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -122.8 | -11.3 | -171.4 | -97.2 | -83.9 | 0 | 0 | 0 | 118.1 | N1462 | F1460-N1462 PolarHBondContact O-N 3.19Š|
| 1461 | T | 26.1 | Very low | 27.9 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -5.9 | 175.3 | 48.6 | 0 | 0 | 0 | 0 | 114 | ||
| 1462 | N | 28.8 | Very low | 27.9 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 53% | 0.529 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.9 | 4.2 | -172.7 | -80 | -23.3 | 0 | 0 | 0 | 116.6 | F1460 | F1460-N1462 PolarHBondContact O-N 3.19Š|
| 1463 | R | 30 | Very low | 27.9 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 55% | 0.547 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -111.8 | -23.5 | -172.4 | -73.4 | -162.4 | -167.7 | 178.6 | 11.5 | 118.2 | ||
| 1464 | I | 25.9 | Very low | 28.1 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -94.6 | -22.8 | -174.3 | -61.5 | 177.7 | 0 | 0 | 0 | 112.2 | N1467 | I1464-N1467 PolarHBondContact O-ND2 3.29Š|
| 1465 | S | 27.2 | Very low | 28.7 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -95 | -4.2 | 179.5 | 52.1 | 0 | 0 | 0 | 0 | 115.3 | N1467 | S1465-N1467 PolarHBondContact O-N 3.43Å; S1465-N1467 VanDerWaalsContact O-N 3.12Å |
| 1466 | D | 30.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 124 Ų | 124 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -65.9 | -6.9 | 169.1 | -84.2 | -6.8 | 0 | 0 | 0 | 112.4 | ||
| 1467 | N | 30.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -89.8 | 5.2 | -170.1 | -65.6 | -33.5 | 0 | 0 | 0 | 115.6 | I1464 S1465 | I1464-N1467 PolarHBondContact O-ND2 3.29Å; S1465-N1467 PolarHBondContact O-N 3.43Å; S1465-N1467 VanDerWaalsContact O-N 3.12Å |
| 1468 | Y | 25.7 | Very low | 30.5 | Very low | 203 Ų | 203 | 123.5 Ų | 123.5 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | trans | -118.6 | 65.5 | 178.2 | -81.5 | -81.8 | 0 | 0 | 0 | 112.5 | ||||
| 1469 | L | 28.2 | Very low | 31.2 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 82% | 0.817 | 66% | 0.657 | S | S | * | * | trans | -143.1 | 93.7 | 159.6 | -86.7 | 157.6 | 0 | 0 | 0 | 104.9 | ||||
| 1470 | P | 34.9 | Very low | 31.8 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | -150.7 | 130.5 | 60.7 | 35.9 | -14.4 | 0 | 0 | 0 | 115.2 | |||||
| 1471 | L | 24.6 | Very low | 32.5 | Very low | 174 Ų | 174 | 115.1 Ų | 115.1 | 91% | 0.911 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -133.9 | 89.4 | 157.5 | -77.1 | 170.2 | 0 | 0 | 0 | 108.4 | ||
| 1472 | G | 29.1 | Very low | 33.3 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 89% | 0.887 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 169.2 | -23.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1473 | G | 29.6 | Very low | 34 | Very low | 59 Ų | 59 | 112 Ų | 112 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -116.3 | 119.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1475 | G1473-L1475 PolarHBondContact O-N 2.93Š| ||
| 1474 | Q | 29.7 | Very low | 34.5 | Very low | 200 Ų | 200 | 106.5 Ų | 106.5 | 94% | 0.935 | 58% | 0.58 | S | S | * | * | trans | -65 | 93 | 169.5 | -69.5 | 178.4 | -14.3 | 0 | 0 | 108.9 | ||||
| 1475 | L | 38.8 | Very low | 35.2 | Very low | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 56% | 0.556 | S | S | * | * | trans | -64.6 | 133.9 | 160.7 | -79.3 | 168.1 | 0 | 0 | 0 | 107.6 | G1473 E1479 | G1473-L1475 PolarHBondContact O-N 2.93Å; L1475-E1479 HydrophobicContact CD2-CB 4.2Å | ||
| 1476 | T | 41.8 | Very low | 35.9 | Very low | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | trans | -67.4 | 149 | 174.5 | 58.3 | 0 | 0 | 0 | 0 | 109.9 | N1478 E1479 L1480 | T1476-N1478 PolarHBondContact O-N 2.92Å; T1476-N1478 VanDerWaalsContact O-N 3.09Å; T1476-E1479 PolarHBondContact N-OE2 3.4Å; T1476-E1479 VanDerWaalsContact N-OE2 3.11Å; T1476-E1479 PolarHBondContact O-N 2.88Å; T1476-E1479 VanDerWaalsContact OG1-CD 3.23Å; T1476-E1479 VanDerWaalsContact OG1-CG 3.25Å; T1476-E1479 WeakPolarHBondContact OG1-CG 3.3Å; T1476-E1479 PolarHBondContact OG1-OE2 3.47Å; T1476-L1480 PolarHBondContact O-N 2.92Å | ||
| 1477 | E | 34.7 | Very low | 36.4 | Very low | 137 Ų | 137 | 98 Ų | 98 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.3 | -33.3 | -178.1 | -159.6 | 172.2 | -163.6 | 0 | 0 | 112.5 | N1481 | E1477-N1481 WeakPolarHBondContact O-CB 3.32Å; E1477-N1481 VanDerWaalsContact O-CG 3.22Å; E1477-N1481 PolarHBondContact O-N 3.23Å; E1477-N1481 PolarHBondContact O-ND2 3Å |
| 1478 | N | 41.2 | Very low | 36.8 | Very low | 119 Ų | 119 | 92.9 Ų | 92.9 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.5 | -40.1 | 174.6 | -77.7 | -14.8 | 0 | 0 | 0 | 113.9 | T1476 L1480 N1481 N1482 | T1476-N1478 PolarHBondContact O-N 2.92Å; T1476-N1478 VanDerWaalsContact O-N 3.09Å; N1478-L1480 VanDerWaalsContact C-N 3.31Å; N1478-N1481 PolarHBondContact O-N 2.99Å; N1478-N1482 WeakPolarHBondContact O-CB 3.29Å; N1478-N1482 PolarHBondContact O-N 3.45Å |
| 1479 | E | 43.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 87.9 Ų | 87.9 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 176.1 | -73.5 | 168.7 | 148.2 | 0 | 0 | 110.9 | L1475 T1476 W1483 | L1475-E1479 HydrophobicContact CD2-CB 4.2Å; T1476-E1479 PolarHBondContact N-OE2 3.4Å; T1476-E1479 VanDerWaalsContact N-OE2 3.11Å; T1476-E1479 PolarHBondContact O-N 2.88Å; T1476-E1479 VanDerWaalsContact OG1-CD 3.23Å; T1476-E1479 VanDerWaalsContact OG1-CG 3.25Å; T1476-E1479 WeakPolarHBondContact OG1-CG 3.3Å; T1476-E1479 PolarHBondContact OG1-OE2 3.47Å; E1479-W1483 VanDerWaalsContact O-CB 3.24Å; E1479-W1483 WeakPolarHBondContact O-CB 3.41Å; E1479-W1483 PolarHBondContact O-N 3.44Å |
| 1480 | L | 41.5 | Very low | 37.9 | Very low | 56 Ų | 56 | 84 Ų | 84 | 29% | 0.293 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 172.7 | -170.6 | 73.3 | 0 | 0 | 0 | 111.1 | T1476 N1478 W1483 I1484 | T1476-L1480 PolarHBondContact O-N 2.92Å; N1478-L1480 VanDerWaalsContact C-N 3.31Å; L1480-W1483 HydrophobicContact CD1-CE3 4.48Å; L1480-W1483 WeakPolarHBondContact O-CB 3.33Å; L1480-W1483 PolarHBondContact O-N 2.98Å; L1480-I1484 HydrophobicContact CG-CD1 4.25Å; L1480-I1484 WeakPolarHBondContact O-CG1 3.39Å; L1480-I1484 PolarHBondContact O-N 3.06Å |
| 1481 | N | 40.7 | Very low | 38 | Very low | 33 Ų | 33 | 81.1 Ų | 81.1 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.7 | -73.5 | -18.8 | 0 | 0 | 0 | 112.3 | R1422 E1477 N1478 W1483 I1484 M1485 | R1422-N1481 PolarHBondContact NH2-OD1 3.49Å; E1477-N1481 WeakPolarHBondContact O-CB 3.32Å; E1477-N1481 VanDerWaalsContact O-CG 3.22Å; E1477-N1481 PolarHBondContact O-N 3.23Å; E1477-N1481 PolarHBondContact O-ND2 3Å; N1478-N1481 PolarHBondContact O-N 2.99Å; N1481-W1483 VanDerWaalsContact C-N 3.29Å; N1481-W1483 PolarHBondContact O-N 2.83Å; N1481-I1484 PolarHBondContact O-N 3.23Å; N1481-M1485 WeakPolarHBondContact O-CB 3.34Å; N1481-M1485 WeakPolarHBondContact O-CG 3.48Å; N1481-M1485 PolarHBondContact O-N 3.41Å |
| 1482 | N | 42.9 | Very low | 38.3 | Very low | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 173.2 | -80 | -20.7 | 0 | 0 | 0 | 111.9 | N1478 N1486 | N1478-N1482 WeakPolarHBondContact O-CB 3.29Å; N1478-N1482 PolarHBondContact O-N 3.45Å; N1482-N1486 WeakPolarHBondContact O-CB 3.26Å; N1482-N1486 VanDerWaalsContact O-CG 3.25Å; N1482-N1486 PolarHBondContact O-N 2.91Å; N1482-N1486 PolarHBondContact O-ND2 3.04Å |
| 1483 | W | 42.8 | Very low | 38.5 | Very low | 86 Ų | 86 | 74.5 Ų | 74.5 | 33% | 0.326 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 175.8 | -178.3 | 86.6 | 0 | 0 | 0 | 111.6 | Q1418 E1479 L1480 N1481 N1487 Y1503 | Q1418-W1483 VanDerWaalsContact NE2-CH2 3.33Å; Q1418-W1483 VanDerWaalsContact OE1-CZ3 3.3Å; E1479-W1483 VanDerWaalsContact O-CB 3.24Å; E1479-W1483 WeakPolarHBondContact O-CB 3.41Å; E1479-W1483 PolarHBondContact O-N 3.44Å; L1480-W1483 HydrophobicContact CD1-CE3 4.48Å; L1480-W1483 WeakPolarHBondContact O-CB 3.33Å; L1480-W1483 PolarHBondContact O-N 2.98Å; N1481-W1483 VanDerWaalsContact C-N 3.29Å; N1481-W1483 PolarHBondContact O-N 2.83Å; W1483-N1487 VanDerWaalsContact CZ2-ND2 3.25Å; W1483-N1487 WeakPolarHBondContact CZ2-ND2 3.35Å; W1483-N1487 PolarHBondContact NE1-ND2 3.38Å; W1483-N1487 VanDerWaalsContact O-CB 3.27Å; W1483-N1487 WeakPolarHBondContact O-CB 3.43Å; W1483-N1487 PolarHBondContact O-N 3.35Å; W1483-N1487 PolarHBondContact O-ND2 3.45Å; W1483-Y1503 AromaticContact NE1-CZ 3.95Å; W1483-Y1503 PolarHBondContact NE1-OH 2.89Å; W1483-Y1503 VanDerWaalsContact NE1-OH 3.09Å |
| 1484 | I | 41.1 | Very low | 38.6 | Very low | 30 Ų | 30 | 74.2 Ų | 74.2 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176 | -63.8 | 172.5 | 0 | 0 | 0 | 110.5 | I1366 L1480 N1481 N1487 T1488 | I1366-I1484 HydrophobicContact CD1-CG2 4.06Å; I1366-I1484 HydrophobicContact CG1-CG2 4.34Å; L1480-I1484 HydrophobicContact CG-CD1 4.25Å; L1480-I1484 WeakPolarHBondContact O-CG1 3.39Å; L1480-I1484 PolarHBondContact O-N 3.06Å; N1481-I1484 PolarHBondContact O-N 3.23Å; I1484-N1487 PolarHBondContact O-N 3.4Å; I1484-T1488 HydrophobicContact CG2-CG2 4.22Å; I1484-T1488 WeakPolarHBondContact O-CB 3.42Å; I1484-T1488 VanDerWaalsContact O-CG2 3.28Å; I1484-T1488 WeakPolarHBondContact O-CG2 3.15Å; I1484-T1488 PolarHBondContact O-N 3.1Å; I1484-T1488 PolarHBondContact O-OG1 3.1Å |
| 1485 | M | 40.3 | Very low | 38.7 | Very low | 53 Ų | 53 | 70.5 Ų | 70.5 | 26% | 0.261 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 179.7 | -76 | -61.1 | -64.6 | 0 | 0 | 112.4 | Y1275 V1362 I1366 N1481 T1488 Y1489 | Y1275-M1485 HydrophobicContact CE1-CE 4.44Å; V1362-M1485 HydrophobicContact CG1-SD 4.17Å; I1366-M1485 HydrophobicContact CD1-CG 3.88Å; I1366-M1485 HydrophobicContact CD1-SD 3.47Å; I1366-M1485 WeakPolarHBondContact CD1-SD 3.37Å; N1481-M1485 WeakPolarHBondContact O-CB 3.34Å; N1481-M1485 WeakPolarHBondContact O-CG 3.48Å; N1481-M1485 PolarHBondContact O-N 3.41Å; M1485-T1488 VanDerWaalsContact CA-OG1 3.31Å; M1485-T1488 WeakPolarHBondContact CA-OG1 3.28Å; M1485-T1488 PolarHBondContact O-N 3.48Å; M1485-T1488 PolarHBondContact O-OG1 3.4Å; M1485-Y1489 WeakPolarHBondContact O-CB 3.18Å; M1485-Y1489 PolarHBondContact O-N 3.29Å |
| 1486 | N | 41.8 | Very low | 38.3 | Very low | 70 Ų | 70 | 74.9 Ų | 74.9 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.2 | -76.5 | -39.4 | 0 | 0 | 0 | 111.3 | N1482 L1490 | N1482-N1486 WeakPolarHBondContact O-CB 3.26Å; N1482-N1486 VanDerWaalsContact O-CG 3.25Å; N1482-N1486 PolarHBondContact O-N 2.91Å; N1482-N1486 PolarHBondContact O-ND2 3.04Å; N1486-L1490 WeakPolarHBondContact O-CA 3.46Å; N1486-L1490 WeakPolarHBondContact O-CB 3.23Å; N1486-L1490 WeakPolarHBondContact O-CD1 3.43Å; N1486-L1490 WeakPolarHBondContact O-CG 3.23Å; N1486-L1490 PolarHBondContact O-N 2.94Å |
| 1487 | N | 40.5 | Very low | 37.7 | Very low | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.193 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73 | -31.8 | 177.7 | -80.3 | -24.1 | 0 | 0 | 0 | 113.3 | W1483 I1484 S1491 | W1483-N1487 VanDerWaalsContact CZ2-ND2 3.25Å; W1483-N1487 WeakPolarHBondContact CZ2-ND2 3.35Å; W1483-N1487 PolarHBondContact NE1-ND2 3.38Å; W1483-N1487 VanDerWaalsContact O-CB 3.27Å; W1483-N1487 WeakPolarHBondContact O-CB 3.43Å; W1483-N1487 PolarHBondContact O-N 3.35Å; W1483-N1487 PolarHBondContact O-ND2 3.45Å; I1484-N1487 PolarHBondContact O-N 3.4Å; N1487-S1491 WeakPolarHBondContact O-CA 3.27Å; N1487-S1491 WeakPolarHBondContact O-CB 3.49Å; N1487-S1491 PolarHBondContact O-N 3.2Å; N1487-S1491 PolarHBondContact O-OG 2.78Å |
| 1488 | T | 38.8 | Very low | 37.4 | Very low | 12 Ų | 12 | 76.4 Ų | 76.4 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.4 | -44.3 | 172.9 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | V1362 I1484 M1485 L1490 S1491 L1492 | V1362-T1488 HydrophobicContact CG1-CG2 3.96Å; V1362-T1488 HydrophobicContact CG2-CG2 3.99Å; I1484-T1488 HydrophobicContact CG2-CG2 4.22Å; I1484-T1488 WeakPolarHBondContact O-CB 3.42Å; I1484-T1488 VanDerWaalsContact O-CG2 3.28Å; I1484-T1488 WeakPolarHBondContact O-CG2 3.15Å; I1484-T1488 PolarHBondContact O-N 3.1Å; I1484-T1488 PolarHBondContact O-OG1 3.1Å; M1485-T1488 VanDerWaalsContact CA-OG1 3.31Å; M1485-T1488 WeakPolarHBondContact CA-OG1 3.28Å; M1485-T1488 PolarHBondContact O-N 3.48Å; M1485-T1488 PolarHBondContact O-OG1 3.4Å; T1488-L1490 VanDerWaalsContact C-N 3.35Å; T1488-L1490 PolarHBondContact O-N 3.25Å; T1488-S1491 WeakPolarHBondContact CA-OG 3.14Å; T1488-S1491 PolarHBondContact O-N 3.12Å; T1488-S1491 PolarHBondContact O-OG 3.43Å; T1488-S1491 VanDerWaalsContact O-OG 3.1Å; T1488-L1492 VanDerWaalsContact O-CB 3.28Å; T1488-L1492 WeakPolarHBondContact O-CB 3.37Å; T1488-L1492 WeakPolarHBondContact O-CD1 3.33Å; T1488-L1492 WeakPolarHBondContact O-CG 3.41Å; T1488-L1492 PolarHBondContact O-N 2.76Å |
| 1489 | Y | 39.8 | Very low | 37.1 | Very low | 98 Ų | 98 | 74.2 Ų | 74.2 | 38% | 0.384 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 171.5 | -174.2 | -100.1 | 0 | 0 | 0 | 111.5 | M1485 L1492 C1493 | M1485-Y1489 WeakPolarHBondContact O-CB 3.18Å; M1485-Y1489 PolarHBondContact O-N 3.29Å; Y1489-L1492 PolarHBondContact O-N 3.48Å; Y1489-C1493 VanDerWaalsContact O-CB 3.26Å; Y1489-C1493 WeakPolarHBondContact O-CB 3.4Å; Y1489-C1493 PolarHBondContact O-N 2.73Å; Y1489-C1493 PolarHBondContact O-SG 2.67Å |
| 1490 | L | 37.9 | Very low | 36.5 | Very low | 74 Ų | 74 | 70.8 Ų | 70.8 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.6 | -31.9 | 176 | -72.8 | 167.7 | 0 | 0 | 0 | 112.1 | N1486 T1488 C1493 S1494 | N1486-L1490 WeakPolarHBondContact O-CA 3.46Å; N1486-L1490 WeakPolarHBondContact O-CB 3.23Å; N1486-L1490 WeakPolarHBondContact O-CD1 3.43Å; N1486-L1490 WeakPolarHBondContact O-CG 3.23Å; N1486-L1490 PolarHBondContact O-N 2.94Å; T1488-L1490 VanDerWaalsContact C-N 3.35Å; T1488-L1490 PolarHBondContact O-N 3.25Å; L1490-C1493 CarbonylContact O-C 3.59Å; L1490-C1493 PolarHBondContact O-N 3.05Å; L1490-S1494 VanDerWaalsContact O-CA 3.28Å; L1490-S1494 WeakPolarHBondContact O-CA 3.49Å; L1490-S1494 WeakPolarHBondContact O-CB 3.38Å; L1490-S1494 PolarHBondContact O-N 3.02Å; L1490-S1494 PolarHBondContact O-OG 3.36Å |
| 1491 | S | 37.9 | Very low | 36.1 | Very low | 30 Ų | 30 | 74.4 Ų | 74.4 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -79.2 | -32.3 | 176.6 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | N1487 T1488 C1493 S1494 | N1487-S1491 WeakPolarHBondContact O-CA 3.27Å; N1487-S1491 WeakPolarHBondContact O-CB 3.49Å; N1487-S1491 PolarHBondContact O-N 3.2Å; N1487-S1491 PolarHBondContact O-OG 2.78Å; T1488-S1491 WeakPolarHBondContact CA-OG 3.14Å; T1488-S1491 PolarHBondContact O-N 3.12Å; T1488-S1491 PolarHBondContact O-OG 3.43Å; T1488-S1491 VanDerWaalsContact O-OG 3.1Å; S1491-C1493 PolarHBondContact O-N 2.84Å; S1491-S1494 PolarHBondContact O-N 2.86Å |
| 1492 | L | 30.8 | Very low | 35.9 | Very low | 44 Ų | 44 | 74.8 Ų | 74.8 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 164.5 | -70.2 | 164.9 | 0 | 0 | 0 | 110.4 | L1358 L1359 T1488 Y1489 | L1358-L1492 HydrophobicContact CB-CD2 4.46Å; L1358-L1492 HydrophobicContact CD1-CD2 4.38Å; L1359-L1492 HydrophobicContact CD1-CD1 3.67Å; T1488-L1492 VanDerWaalsContact O-CB 3.28Å; T1488-L1492 WeakPolarHBondContact O-CB 3.37Å; T1488-L1492 WeakPolarHBondContact O-CD1 3.33Å; T1488-L1492 WeakPolarHBondContact O-CG 3.41Å; T1488-L1492 PolarHBondContact O-N 2.76Å; Y1489-L1492 PolarHBondContact O-N 3.48Å |
| 1493 | C | 31.6 | Very low | 35.6 | Very low | 78 Ų | 78 | 77.1 Ų | 77.1 | 53% | 0.527 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -93.7 | -7.6 | 179.8 | -62.2 | 0 | 0 | 0 | 0 | 115.1 | Y1489 L1490 S1491 | Y1489-C1493 VanDerWaalsContact O-CB 3.26Å; Y1489-C1493 WeakPolarHBondContact O-CB 3.4Å; Y1489-C1493 PolarHBondContact O-N 2.73Å; Y1489-C1493 PolarHBondContact O-SG 2.67Å; L1490-C1493 CarbonylContact O-C 3.59Å; L1490-C1493 PolarHBondContact O-N 3.05Å; S1491-C1493 PolarHBondContact O-N 2.84Å |
| 1494 | S | 32.1 | Very low | 35.2 | Very low | 52 Ų | 52 | 75.6 Ų | 75.6 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -147.6 | 122.9 | -170.6 | 81.2 | 0 | 0 | 0 | 0 | 113.6 | L1490 S1491 | L1490-S1494 VanDerWaalsContact O-CA 3.28Å; L1490-S1494 WeakPolarHBondContact O-CA 3.49Å; L1490-S1494 WeakPolarHBondContact O-CB 3.38Å; L1490-S1494 PolarHBondContact O-N 3.02Å; L1490-S1494 PolarHBondContact O-OG 3.36Å; S1491-S1494 PolarHBondContact O-N 2.86Å | ||
| 1495 | S | 31.6 | Very low | 35 | Very low | 123 Ų | 123 | 76.5 Ų | 76.5 | 86% | 0.86 | 42% | 0.42 | S | S | * | . | trans | -101.4 | 30.5 | -170.2 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1496 | R | 30.4 | Very low | 34.8 | Very low | 199 Ų | 199 | 81 Ų | 81 | 75% | 0.751 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -151.7 | 135.1 | 171.2 | -83.9 | -158.3 | -179.5 | -175.5 | 2.8 | 117.5 | S1498 | R1496-S1498 PolarHBondContact O-N 2.97Š|
| 1497 | K | 29.5 | Very low | 34.7 | Very low | 166 Ų | 166 | 82.8 Ų | 82.8 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | 28.6 | 81.6 | 129.2 | -54.8 | -178 | -177.2 | -179.5 | 0 | 116.8 | S1499 | K1497-S1499 PolarHBondContact O-N 3.48Š| |||
| 1498 | S | 29.9 | Very low | 34.5 | Very low | 83 Ų | 83 | 82.1 Ų | 82.1 | 58% | 0.58 | 43% | 0.432 | S | S | * | . | trans | -74.8 | 111.1 | 161.7 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | R1496 | R1496-S1498 PolarHBondContact O-N 2.97Š| ||
| 1499 | S | 33.7 | Very low | 34.5 | Very low | 72 Ų | 72 | 87.5 Ų | 87.5 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | -63.1 | 137.8 | 163.1 | 55.7 | 0 | 0 | 0 | 0 | 108.3 | K1497 L1501 A1502 Y1503 | K1497-S1499 PolarHBondContact O-N 3.48Å; S1499-L1501 PolarHBondContact O-N 3.27Å; S1499-A1502 WeakPolarHBondContact O-CB 3.46Å; S1499-A1502 PolarHBondContact O-N 2.88Å; S1499-A1502 PolarHBondContact OG-N 3.06Å; S1499-Y1503 PolarHBondContact O-N 3.48Å | ||
| 1500 | G | 30.7 | Very low | 34.4 | Very low | 30 Ų | 30 | 90 Ų | 90 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -49.8 | -29.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1503 I1504 | G1500-Y1503 CarbonylContact O-C 3.32Å; G1500-Y1503 PolarHBondContact O-N 2.82Å; G1500-I1504 WeakPolarHBondContact O-CB 3.24Å; G1500-I1504 VanDerWaalsContact O-CG1 3.27Å; G1500-I1504 WeakPolarHBondContact O-CG1 3.34Å; G1500-I1504 PolarHBondContact O-N 3.08Å |
| 1501 | L | 33 | Very low | 34.5 | Very low | 131 Ų | 131 | 93.6 Ų | 93.6 | 69% | 0.686 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 172.5 | -106.8 | 149.6 | 0 | 0 | 0 | 114.9 | S1499 Y1503 S1505 | S1499-L1501 PolarHBondContact O-N 3.27Å; L1501-Y1503 VanDerWaalsContact C-N 3.25Å; L1501-Y1503 PolarHBondContact O-N 2.92Å; L1501-S1505 WeakPolarHBondContact O-CB 3.35Å; L1501-S1505 PolarHBondContact O-N 3.05Å; L1501-S1505 PolarHBondContact O-OG 3.13Å |
| 1502 | A | 36 | Very low | 34.5 | Very low | 42 Ų | 42 | 95.4 Ų | 95.4 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -28.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1499 S1505 R1506 | S1499-A1502 WeakPolarHBondContact O-CB 3.46Å; S1499-A1502 PolarHBondContact O-N 2.88Å; S1499-A1502 PolarHBondContact OG-N 3.06Å; A1502-S1505 VanDerWaalsContact C-OG 3.27Å; A1502-S1505 VanDerWaalsContact CA-OG 3.22Å; A1502-S1505 WeakPolarHBondContact CA-OG 3.27Å; A1502-S1505 PolarHBondContact O-OG 2.68Å; A1502-R1506 WeakPolarHBondContact O-CB 3.26Å; A1502-R1506 WeakPolarHBondContact O-CG 3.36Å; A1502-R1506 PolarHBondContact O-N 3.44Å |
| 1503 | Y | 37.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 100.9 Ų | 100.9 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -84.3 | -40.3 | 175.9 | -153.1 | -87.5 | 0 | 0 | 0 | 112.4 | W1483 S1499 G1500 L1501 S1505 R1506 Y1507 | W1483-Y1503 AromaticContact NE1-CZ 3.95Å; W1483-Y1503 PolarHBondContact NE1-OH 2.89Å; W1483-Y1503 VanDerWaalsContact NE1-OH 3.09Å; S1499-Y1503 PolarHBondContact O-N 3.48Å; G1500-Y1503 CarbonylContact O-C 3.32Å; G1500-Y1503 PolarHBondContact O-N 2.82Å; L1501-Y1503 VanDerWaalsContact C-N 3.25Å; L1501-Y1503 PolarHBondContact O-N 2.92Å; Y1503-S1505 VanDerWaalsContact C-N 3.29Å; Y1503-S1505 PolarHBondContact O-N 3.42Å; Y1503-R1506 CarbonylContact O-C 3.32Å; Y1503-R1506 PolarHBondContact O-N 3.33Å; Y1503-Y1507 VanDerWaalsContact O-CB 3.26Å; Y1503-Y1507 WeakPolarHBondContact O-CB 3.47Å; Y1503-Y1507 PolarHBondContact O-N 2.95Å |
| 1504 | I | 35.6 | Very low | 35.1 | Very low | 55 Ų | 55 | 100.4 Ų | 100.4 | 28% | 0.282 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 171.3 | -68 | 165.2 | 0 | 0 | 0 | 109.6 | G1500 Y1507 L1508 L1521 | G1500-I1504 WeakPolarHBondContact O-CB 3.24Å; G1500-I1504 VanDerWaalsContact O-CG1 3.27Å; G1500-I1504 WeakPolarHBondContact O-CG1 3.34Å; G1500-I1504 PolarHBondContact O-N 3.08Å; I1504-Y1507 PolarHBondContact O-N 3.16Å; I1504-L1508 HydrophobicContact CG2-CD1 3.82Å; I1504-L1508 HydrophobicContact CG2-CG 4.35Å; I1504-L1508 WeakPolarHBondContact O-CB 3.5Å; I1504-L1508 VanDerWaalsContact O-CG 3.27Å; I1504-L1508 WeakPolarHBondContact O-CG 3.47Å; I1504-L1508 PolarHBondContact O-N 3.4Å; I1504-L1521 HydrophobicContact CG2-CD1 4.09Å |
| 1505 | S | 35.8 | Very low | 35.4 | Very low | 48 Ų | 48 | 101.9 Ų | 101.9 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 172.5 | 56.4 | 0 | 0 | 0 | 0 | 112 | L1501 A1502 Y1503 Y1507 L1508 I1509 | L1501-S1505 WeakPolarHBondContact O-CB 3.35Å; L1501-S1505 PolarHBondContact O-N 3.05Å; L1501-S1505 PolarHBondContact O-OG 3.13Å; A1502-S1505 VanDerWaalsContact C-OG 3.27Å; A1502-S1505 VanDerWaalsContact CA-OG 3.22Å; A1502-S1505 WeakPolarHBondContact CA-OG 3.27Å; A1502-S1505 PolarHBondContact O-OG 2.68Å; Y1503-S1505 VanDerWaalsContact C-N 3.29Å; Y1503-S1505 PolarHBondContact O-N 3.42Å; S1505-Y1507 VanDerWaalsContact C-N 3.32Å; S1505-Y1507 PolarHBondContact O-N 3.39Å; S1505-L1508 PolarHBondContact O-N 2.9Å; S1505-I1509 WeakPolarHBondContact O-CB 3.26Å; S1505-I1509 VanDerWaalsContact O-CD1 3.28Å; S1505-I1509 WeakPolarHBondContact O-CD1 3.43Å; S1505-I1509 WeakPolarHBondContact O-CG1 3.23Å; S1505-I1509 PolarHBondContact O-N 2.86Å |
| 1506 | R | 35.9 | Very low | 35.7 | Very low | 149 Ų | 149 | 101 Ų | 101 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 170.1 | -82.2 | 177.8 | 175.3 | -175 | -1.4 | 112.7 | A1502 Y1503 I1509 Q1510 | A1502-R1506 WeakPolarHBondContact O-CB 3.26Å; A1502-R1506 WeakPolarHBondContact O-CG 3.36Å; A1502-R1506 PolarHBondContact O-N 3.44Å; Y1503-R1506 CarbonylContact O-C 3.32Å; Y1503-R1506 PolarHBondContact O-N 3.33Å; R1506-I1509 PolarHBondContact O-N 3.38Å; R1506-Q1510 WeakPolarHBondContact O-CB 3.49Å; R1506-Q1510 VanDerWaalsContact O-CG 3.29Å; R1506-Q1510 WeakPolarHBondContact O-CG 3.43Å; R1506-Q1510 PolarHBondContact O-N 3.14Å |
| 1507 | Y | 40.6 | Very low | 36.4 | Very low | 107 Ų | 107 | 93 Ų | 93 | 42% | 0.42 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 178.4 | -174.3 | -106.1 | 0 | 0 | 0 | 111.4 | Y1503 I1504 S1505 R1517 | Y1503-Y1507 VanDerWaalsContact O-CB 3.26Å; Y1503-Y1507 WeakPolarHBondContact O-CB 3.47Å; Y1503-Y1507 PolarHBondContact O-N 2.95Å; I1504-Y1507 PolarHBondContact O-N 3.16Å; S1505-Y1507 VanDerWaalsContact C-N 3.32Å; S1505-Y1507 PolarHBondContact O-N 3.39Å; Y1507-R1517 HydrophobicContact CD1-CG 4.32Å; Y1507-R1517 HydrophobicContact CE1-CB 4.14Å; Y1507-R1517 HydrophobicContact CE1-CG 3.65Å; Y1507-R1517 PolarHBondContact O-NH1 3.03Å |
| 1508 | L | 35.8 | Very low | 37.2 | Very low | 21 Ų | 21 | 91.5 Ų | 91.5 | 11% | 0.11 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.5 | -40.2 | 172.3 | -71.1 | 166.5 | 0 | 0 | 0 | 111.7 | I1504 S1505 R1511 P1512 R1517 W1518 | I1504-L1508 HydrophobicContact CG2-CD1 3.82Å; I1504-L1508 HydrophobicContact CG2-CG 4.35Å; I1504-L1508 WeakPolarHBondContact O-CB 3.5Å; I1504-L1508 VanDerWaalsContact O-CG 3.27Å; I1504-L1508 WeakPolarHBondContact O-CG 3.47Å; I1504-L1508 PolarHBondContact O-N 3.4Å; S1505-L1508 PolarHBondContact O-N 2.9Å; L1508-R1511 CarbonylContact O-C 3.55Å; L1508-R1511 PolarHBondContact O-N 3.21Å; L1508-P1512 WeakPolarHBondContact O-CA 3.44Å; L1508-R1517 HydrophobicContact CD2-CB 3.81Å; L1508-W1518 HydrophobicContact CD2-CD2 4.13Å; L1508-W1518 HydrophobicContact CD2-CG 4.43Å |
| 1509 | I | 39.3 | Very low | 37.8 | Very low | 125 Ų | 125 | 93 Ų | 93 | 64% | 0.641 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.3 | -35.2 | -178.2 | -71.1 | 163.2 | 0 | 0 | 0 | 112 | S1505 R1506 R1511 | S1505-I1509 WeakPolarHBondContact O-CB 3.26Å; S1505-I1509 VanDerWaalsContact O-CD1 3.28Å; S1505-I1509 WeakPolarHBondContact O-CD1 3.43Å; S1505-I1509 WeakPolarHBondContact O-CG1 3.23Å; S1505-I1509 PolarHBondContact O-N 2.86Å; R1506-I1509 PolarHBondContact O-N 3.38Å; I1509-R1511 PolarHBondContact O-N 2.95Å |
| 1510 | Q | 37.7 | Very low | 38.2 | Very low | 151 Ų | 151 | 96 Ų | 96 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.4 | -33 | 179.3 | -83.3 | 179.8 | -1.6 | 0 | 0 | 112.4 | R1506 | R1506-Q1510 WeakPolarHBondContact O-CB 3.49Å; R1506-Q1510 VanDerWaalsContact O-CG 3.29Å; R1506-Q1510 WeakPolarHBondContact O-CG 3.43Å; R1506-Q1510 PolarHBondContact O-N 3.14Å |
| 1511 | R | 39.8 | Very low | 39 | Very low | 150 Ų | 150 | 96.8 Ų | 96.8 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | trans | -149.8 | 85.4 | 172.8 | -67.6 | -164.8 | 178.8 | -173.8 | -0.6 | 110.8 | L1508 I1509 N1513 E1514 | L1508-R1511 CarbonylContact O-C 3.55Å; L1508-R1511 PolarHBondContact O-N 3.21Å; I1509-R1511 PolarHBondContact O-N 2.95Å; R1511-N1513 PolarHBondContact O-N 3.1Å; R1511-E1514 VanDerWaalsContact CD-OE1 3.3Å; R1511-E1514 WeakPolarHBondContact CD-OE1 3.22Å; R1511-E1514 IonicContact CZ-OE1 2.77Å; R1511-E1514 IonicContact NH1-OE1 2.84Å; R1511-E1514 PolarHBondContact NH1-OE1 2.93Å | ||
| 1512 | P | 37.3 | Very low | 39.4 | Very low | 68 Ų | 68 | 95 Ų | 95 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18 | -177.9 | 25.6 | -32.9 | 0 | 0 | 0 | 113.3 | L1508 W1518 | L1508-P1512 WeakPolarHBondContact O-CA 3.44Å; P1512-W1518 PolarHBondContact O-NE1 3.15Å; P1512-W1518 VanDerWaalsContact O-NE1 3.16Å |
| 1513 | N | 36.2 | Very low | 39.6 | Very low | 158 Ų | 158 | 95.3 Ų | 95.3 | 85% | 0.845 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -9.3 | -173.3 | -60.4 | -2 | 0 | 0 | 0 | 114.1 | R1511 S1515 | R1511-N1513 PolarHBondContact O-N 3.1Å; N1513-S1515 PolarHBondContact O-N 3.22Å |
| 1514 | E | 39 | Very low | 39.9 | Very low | 69 Ų | 69 | 96.7 Ų | 96.7 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | trans | -85 | 100.7 | 177.5 | -82.1 | 174.1 | -164.9 | 0 | 0 | 110.4 | R1511 I1516 R1517 | R1511-E1514 VanDerWaalsContact CD-OE1 3.3Å; R1511-E1514 WeakPolarHBondContact CD-OE1 3.22Å; R1511-E1514 IonicContact CZ-OE1 2.77Å; R1511-E1514 IonicContact NH1-OE1 2.84Å; R1511-E1514 PolarHBondContact NH1-OE1 2.93Å; E1514-I1516 PolarHBondContact O-N 2.99Å; E1514-I1516 VanDerWaalsContact O-N 3.16Å; E1514-R1517 HydrophobicContact CB-CG 4.01Å; E1514-R1517 WeakPolarHBondContact O-CB 3.47Å; E1514-R1517 PolarHBondContact O-N 3.32Å; E1514-R1517 IonicContact OE1-NH2 3.64Å; E1514-R1517 IonicContact OE2-CZ 3.64Å; E1514-R1517 IonicContact OE2-NE 3.56Å; E1514-R1517 PolarHBondContact OE2-NE 3.38Å; E1514-R1517 IonicContact OE2-NH2 3.55Å; E1514-R1517 PolarHBondContact OE2-NH2 2.89Å | ||
| 1515 | S | 38.7 | Very low | 40.2 | Very low | 83 Ų | 83 | 98.6 Ų | 98.6 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -54.6 | -31.6 | -179.2 | 58 | 0 | 0 | 0 | 0 | 114.3 | N1513 R1517 W1518 M1519 | N1513-S1515 PolarHBondContact O-N 3.22Å; S1515-R1517 PolarHBondContact O-N 3.29Å; S1515-W1518 PolarHBondContact O-N 2.98Å; S1515-W1518 VanDerWaalsContact O-N 3.11Å; S1515-M1519 PolarHBondContact O-N 3.35Å |
| 1516 | I | 38.4 | Very low | 40.4 | Very low | 105 Ų | 105 | 101 Ų | 101 | 54% | 0.538 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.3 | -36.9 | 175.2 | -65.1 | 169.3 | 0 | 0 | 0 | 110.9 | E1514 M1519 F1520 | E1514-I1516 PolarHBondContact O-N 2.99Å; E1514-I1516 VanDerWaalsContact O-N 3.16Å; I1516-M1519 WeakPolarHBondContact O-CB 3.49Å; I1516-M1519 PolarHBondContact O-N 3.26Å; I1516-F1520 HydrophobicContact CG2-CD2 3.68Å; I1516-F1520 HydrophobicContact CG2-CE2 3.4Å; I1516-F1520 VanDerWaalsContact CG2-CE2 3.4Å; I1516-F1520 WeakPolarHBondContact O-CD2 3.45Å; I1516-F1520 PolarHBondContact O-N 2.88Å |
| 1517 | R | 44.4 | Very low | 40.3 | Very low | 30 Ų | 30 | 101.2 Ų | 101.2 | 11% | 0.113 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 180 | -56.8 | -172.4 | -174.4 | -151 | -3.8 | 112.2 | Y1507 L1508 E1514 S1515 L1521 | Y1507-R1517 HydrophobicContact CD1-CG 4.32Å; Y1507-R1517 HydrophobicContact CE1-CB 4.14Å; Y1507-R1517 HydrophobicContact CE1-CG 3.65Å; Y1507-R1517 PolarHBondContact O-NH1 3.03Å; L1508-R1517 HydrophobicContact CD2-CB 3.81Å; E1514-R1517 HydrophobicContact CB-CG 4.01Å; E1514-R1517 WeakPolarHBondContact O-CB 3.47Å; E1514-R1517 PolarHBondContact O-N 3.32Å; E1514-R1517 IonicContact OE1-NH2 3.64Å; E1514-R1517 IonicContact OE2-CZ 3.64Å; E1514-R1517 IonicContact OE2-NE 3.56Å; E1514-R1517 PolarHBondContact OE2-NE 3.38Å; E1514-R1517 IonicContact OE2-NH2 3.55Å; E1514-R1517 PolarHBondContact OE2-NH2 2.89Å; S1515-R1517 PolarHBondContact O-N 3.29Å; R1517-L1521 PolarHBondContact O-N 3.45Å |
| 1518 | W | 47.5 | Very low | 40.2 | Very low | 134 Ų | 134 | 103 Ų | 103 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.6 | -37.7 | 172.9 | -68.6 | 101.9 | 0 | 0 | 0 | 112.1 | L1508 P1512 S1515 F1520 L1521 F1522 | L1508-W1518 HydrophobicContact CD2-CD2 4.13Å; L1508-W1518 HydrophobicContact CD2-CG 4.43Å; P1512-W1518 PolarHBondContact O-NE1 3.15Å; P1512-W1518 VanDerWaalsContact O-NE1 3.16Å; S1515-W1518 PolarHBondContact O-N 2.98Å; S1515-W1518 VanDerWaalsContact O-N 3.11Å; W1518-F1520 VanDerWaalsContact C-N 3.31Å; W1518-F1520 PolarHBondContact O-N 3.05Å; W1518-L1521 HydrophobicContact CE3-CD2 4.03Å; W1518-L1521 HydrophobicContact CZ3-CD2 4.12Å; W1518-L1521 WeakPolarHBondContact O-CB 3.45Å; W1518-L1521 PolarHBondContact O-N 3.11Å; W1518-F1522 PolarHBondContact O-N 3.2Å |
| 1519 | M | 41.2 | Very low | 40.2 | Very low | 115 Ų | 115 | 107.6 Ų | 107.6 | 57% | 0.567 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.2 | -40.3 | 172 | -93.4 | 172.5 | 66.8 | 0 | 0 | 112 | S1515 I1516 F1522 S1523 | S1515-M1519 PolarHBondContact O-N 3.35Å; I1516-M1519 WeakPolarHBondContact O-CB 3.49Å; I1516-M1519 PolarHBondContact O-N 3.26Å; M1519-F1522 PolarHBondContact O-N 3Å; M1519-S1523 WeakPolarHBondContact O-CB 3.24Å; M1519-S1523 PolarHBondContact O-N 2.86Å |
| 1520 | F | 42.9 | Very low | 39.5 | Very low | 134 Ų | 134 | 107.1 Ų | 107.1 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 174.5 | -83.1 | -63.6 | 0 | 0 | 0 | 112.7 | I1516 W1518 F1522 S1523 W1524 | I1516-F1520 HydrophobicContact CG2-CD2 3.68Å; I1516-F1520 HydrophobicContact CG2-CE2 3.4Å; I1516-F1520 VanDerWaalsContact CG2-CE2 3.4Å; I1516-F1520 WeakPolarHBondContact O-CD2 3.45Å; I1516-F1520 PolarHBondContact O-N 2.88Å; W1518-F1520 VanDerWaalsContact C-N 3.31Å; W1518-F1520 PolarHBondContact O-N 3.05Å; F1520-F1522 VanDerWaalsContact C-N 3.33Å; F1520-F1522 PolarHBondContact O-N 3.16Å; F1520-S1523 PolarHBondContact O-N 2.96Å; F1520-W1524 VanDerWaalsContact O-CB 3.25Å; F1520-W1524 WeakPolarHBondContact O-CB 3.41Å; F1520-W1524 PolarHBondContact O-N 3.3Å |
| 1521 | L | 47.2 | Very low | 39.1 | Very low | 48 Ų | 48 | 107.6 Ų | 107.6 | 25% | 0.251 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 172.5 | -173.7 | 80.9 | 0 | 0 | 0 | 111.2 | I1504 R1517 W1518 W1524 L1525 | I1504-L1521 HydrophobicContact CG2-CD1 4.09Å; R1517-L1521 PolarHBondContact O-N 3.45Å; W1518-L1521 HydrophobicContact CE3-CD2 4.03Å; W1518-L1521 HydrophobicContact CZ3-CD2 4.12Å; W1518-L1521 WeakPolarHBondContact O-CB 3.45Å; W1518-L1521 PolarHBondContact O-N 3.11Å; L1521-W1524 PolarHBondContact O-N 2.95Å; L1521-L1525 WeakPolarHBondContact O-CG 3.45Å; L1521-L1525 PolarHBondContact O-N 3.47Å |
| 1522 | F | 41.8 | Very low | 38.3 | Very low | 93 Ų | 93 | 104.5 Ų | 104.5 | 41% | 0.408 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 178.5 | -126.8 | -81.1 | 0 | 0 | 0 | 112.2 | W1518 M1519 F1520 L1525 L1526 | W1518-F1522 PolarHBondContact O-N 3.2Å; M1519-F1522 PolarHBondContact O-N 3Å; F1520-F1522 VanDerWaalsContact C-N 3.33Å; F1520-F1522 PolarHBondContact O-N 3.16Å; F1522-L1525 PolarHBondContact O-N 3.25Å; F1522-L1526 HydrophobicContact CD1-CD1 4.08Å; F1522-L1526 WeakPolarHBondContact O-CB 3.49Å; F1522-L1526 WeakPolarHBondContact O-CG 3.21Å; F1522-L1526 PolarHBondContact O-N 2.66Å |
| 1523 | S | 38.5 | Very low | 37.7 | Very low | 48 Ų | 48 | 110.5 Ų | 110.5 | 34% | 0.336 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.4 | -41 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | M1519 F1520 L1526 H1527 | M1519-S1523 WeakPolarHBondContact O-CB 3.24Å; M1519-S1523 PolarHBondContact O-N 2.86Å; F1520-S1523 PolarHBondContact O-N 2.96Å; S1523-L1526 PolarHBondContact O-N 3.09Å; S1523-H1527 WeakPolarHBondContact O-CB 3.41Å; S1523-H1527 PolarHBondContact O-CD2 3.09Å; S1523-H1527 PolarHBondContact O-N 3.02Å |
| 1524 | W | 44.2 | Very low | 37.4 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -41.8 | 174.8 | 179.3 | 83.7 | 0 | 0 | 0 | 112.2 | F1520 L1521 | F1520-W1524 VanDerWaalsContact O-CB 3.25Å; F1520-W1524 WeakPolarHBondContact O-CB 3.41Å; F1520-W1524 PolarHBondContact O-N 3.3Å; L1521-W1524 PolarHBondContact O-N 2.95Å |
| 1525 | L | 42.9 | Very low | 36.8 | Very low | 95 Ų | 95 | 112 Ų | 112 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -39.2 | 173.6 | -74.2 | 169 | 0 | 0 | 0 | 112.4 | L1521 F1522 | L1521-L1525 WeakPolarHBondContact O-CG 3.45Å; L1521-L1525 PolarHBondContact O-N 3.47Å; F1522-L1525 PolarHBondContact O-N 3.25Å |
| 1526 | L | 39.1 | Very low | 36.1 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.3 | -42 | 178.7 | -84.2 | 158.6 | 0 | 0 | 0 | 112.7 | F1522 S1523 K1528 N1529 | F1522-L1526 HydrophobicContact CD1-CD1 4.08Å; F1522-L1526 WeakPolarHBondContact O-CB 3.49Å; F1522-L1526 WeakPolarHBondContact O-CG 3.21Å; F1522-L1526 PolarHBondContact O-N 2.66Å; S1523-L1526 PolarHBondContact O-N 3.09Å; L1526-K1528 PolarHBondContact O-N 3.15Å; L1526-N1529 PolarHBondContact O-N 3.42Å |
| 1527 | H | 34.5 | Very low | 35.4 | Very low | 153 Ų | 153 | 115.3 Ų | 115.3 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.9 | -18.4 | -179 | -94 | -62 | 0 | 0 | 0 | 113.8 | S1523 N1529 | S1523-H1527 WeakPolarHBondContact O-CB 3.41Å; S1523-H1527 PolarHBondContact O-CD2 3.09Å; S1523-H1527 PolarHBondContact O-N 3.02Å; H1527-N1529 PolarHBondContact O-N 3.37Å |
| 1528 | K | 39 | Very low | 34.6 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -17.8 | 169.9 | -87.3 | -126.7 | 174.7 | -176.3 | 0 | 113.5 | L1526 | L1526-K1528 PolarHBondContact O-N 3.15Š|
| 1529 | N | 34 | Very low | 33.5 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | trans | -137.8 | 93.1 | -179 | -74.2 | -32.9 | 0 | 0 | 0 | 112.4 | L1526 H1527 I1531 | L1526-N1529 PolarHBondContact O-N 3.42Å; H1527-N1529 PolarHBondContact O-N 3.37Å; N1529-I1531 HydrophobicContact CB-CG1 4.44Å; N1529-I1531 PolarHBondContact O-N 3.15Å | ||
| 1530 | P | 24.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 75% | 0.747 | 63% | 0.625 | S | S | * | * | trans | -71.1 | 92.5 | 168.1 | 30.2 | -30.9 | 0 | 0 | 0 | 109.2 | S1532 | P1530-S1532 PolarHBondContact O-N 3.35Å; P1530-S1532 VanDerWaalsContact O-N 3.13Å | ||
| 1531 | I | 29.9 | Very low | 31.8 | Very low | 161 Ų | 161 | 119.4 Ų | 119.4 | 83% | 0.826 | 63% | 0.634 | S | S | * | * | trans | -85.4 | 72.5 | 168.8 | -51.4 | 175 | 0 | 0 | 0 | 107.4 | N1529 | N1529-I1531 HydrophobicContact CB-CG1 4.44Å; N1529-I1531 PolarHBondContact O-N 3.15Å | ||
| 1532 | S | 23.2 | Very low | 30.9 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | trans | -126.7 | 103.5 | 168.6 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | P1530 | P1530-S1532 PolarHBondContact O-N 3.35Å; P1530-S1532 VanDerWaalsContact O-N 3.13Å | ||
| 1533 | Q | 25.3 | Very low | 30.1 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 81.8 | 5.8 | 142.1 | -69.6 | -172.6 | -18.2 | 0 | 0 | 124.4 | ||
| 1534 | T | 28.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | trans | -138 | 7.4 | -178 | 53.3 | 0 | 0 | 0 | 0 | 119.9 | N1536 | T1534-N1536 PolarHBondContact O-N 3.46Š| ||
| 1535 | T | 27 | Very low | 29.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | trans | -95.6 | 92.9 | 172 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | L1537 | T1535-L1537 PolarHBondContact O-N 3.36Š| ||
| 1536 | N | 23.7 | Very low | 28.8 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -51.9 | 101.9 | 159.1 | -94.8 | -21.5 | 0 | 0 | 0 | 108.7 | T1534 S1538 T1539 | T1534-N1536 PolarHBondContact O-N 3.46Å; N1536-S1538 PolarHBondContact O-N 2.93Å; N1536-T1539 PolarHBondContact O-N 3.48Å; N1536-T1539 PolarHBondContact O-OG1 3.31Å | ||
| 1537 | L | 24.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -61.9 | -2.5 | -176.6 | -99 | 140.9 | 0 | 0 | 0 | 114.8 | T1535 | T1535-L1537 PolarHBondContact O-N 3.36Š|
| 1538 | S | 25.8 | Very low | 28.8 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -83 | -3.3 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 115 | N1536 | N1536-S1538 PolarHBondContact O-N 2.93Š|
| 1539 | T | 25.8 | Very low | 28.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -108.1 | 7.8 | -176.1 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | N1536 E1541 | N1536-T1539 PolarHBondContact O-N 3.48Å; N1536-T1539 PolarHBondContact O-OG1 3.31Å; T1539-E1541 VanDerWaalsContact C-N 3.29Å; T1539-E1541 PolarHBondContact O-N 2.66Å |
| 1540 | I | 27.5 | Very low | 29 | Very low | 113 Ų | 113 | 132 Ų | 132 | 58% | 0.579 | 72% | 0.723 | S | S | * | * | trans | -91.9 | 69 | 166.7 | -54.6 | 178.5 | 0 | 0 | 0 | 108.4 | L1542 | I1540-L1542 HydrophobicContact CG2-CB 4.05Å; I1540-L1542 HydrophobicContact CG2-CD1 4.01Å; I1540-L1542 HydrophobicContact CG2-CG 4.14Å; I1540-L1542 PolarHBondContact O-N 3.37Å; I1540-L1542 VanDerWaalsContact O-N 3.14Å | ||
| 1541 | E | 21.4 | Very low | 29.6 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -78.9 | 66.6 | 155.8 | -76 | -169.2 | 165.9 | 0 | 0 | 108.8 | T1539 K1543 | T1539-E1541 VanDerWaalsContact C-N 3.29Å; T1539-E1541 PolarHBondContact O-N 2.66Å; E1541-K1543 VanDerWaalsContact C-N 3.32Å; E1541-K1543 PolarHBondContact O-N 2.79Å; E1541-K1543 VanDerWaalsContact O-N 3.16Å | ||
| 1542 | L | 27.8 | Very low | 30.1 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 81% | 0.806 | 70% | 0.704 | S | S | * | * | trans | -85.2 | 85.7 | 166.1 | -85.6 | 170.2 | 0 | 0 | 0 | 109 | I1540 Q1544 | I1540-L1542 HydrophobicContact CG2-CB 4.05Å; I1540-L1542 HydrophobicContact CG2-CD1 4.01Å; I1540-L1542 HydrophobicContact CG2-CG 4.14Å; I1540-L1542 PolarHBondContact O-N 3.37Å; I1540-L1542 VanDerWaalsContact O-N 3.14Å; L1542-Q1544 PolarHBondContact O-N 2.69Å; L1542-Q1544 VanDerWaalsContact O-N 3.13Å | ||
| 1543 | K | 24.7 | Very low | 31 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 74% | 0.739 | 70% | 0.696 | S | S | * | * | trans | -38.9 | 109.5 | 163.7 | -71.8 | 173.4 | 174.3 | 173.1 | 0 | 111.7 | E1541 S1545 | E1541-K1543 VanDerWaalsContact C-N 3.32Å; E1541-K1543 PolarHBondContact O-N 2.79Å; E1541-K1543 VanDerWaalsContact O-N 3.16Å; K1543-S1545 VanDerWaalsContact C-N 3.25Å; K1543-S1545 PolarHBondContact O-N 3.38Å | ||
| 1544 | Q | 33.1 | Very low | 31.9 | Very low | 191 Ų | 191 | 122.2 Ų | 122.2 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | S | Bend | 35.2 | 22.7 | 125.1 | -71.2 | -175.9 | -18.3 | 0 | 0 | 121.7 | L1542 | L1542-Q1544 PolarHBondContact O-N 2.69Å; L1542-Q1544 VanDerWaalsContact O-N 3.13Å | |
| 1545 | S | 36.3 | Very low | 32.7 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -132.5 | 21.6 | 174.5 | 67.3 | 0 | 0 | 0 | 0 | 117.2 | K1543 | K1543-S1545 VanDerWaalsContact C-N 3.25Å; K1543-S1545 PolarHBondContact O-N 3.38Å |
| 1546 | M | 27.9 | Very low | 33.5 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 72% | 0.719 | 63% | 0.633 | S | S | * | * | trans | -143.3 | 54 | 175.9 | -73.6 | -78.9 | -169.4 | 0 | 0 | 112.5 | ||||
| 1547 | N | 38.1 | Very low | 34.4 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83.2 | -12.4 | -175 | -87.3 | 6 | 0 | 0 | 0 | 115.9 | ||
| 1548 | T | 36.3 | Very low | 35.4 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 78% | 0.779 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.6 | -28 | -172.6 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1549 | S | 38.9 | Very low | 36.4 | Very low | 66 Ų | 66 | 113.5 Ų | 113.5 | 46% | 0.462 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -85.6 | -25.9 | -178 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | T1552 T1553 | S1549-T1552 PolarHBondContact O-OG1 3.1Å; S1549-T1552 VanDerWaalsContact O-OG1 3.06Å; S1549-T1553 PolarHBondContact O-N 3.25Å; S1549-T1553 PolarHBondContact O-OG1 3.43Å |
| 1550 | M | 37.3 | Very low | 37.4 | Very low | 113 Ų | 113 | 112.9 Ų | 112.9 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.2 | -39.6 | 179 | -95.5 | -115.4 | -153.4 | 0 | 0 | 112.7 | T1552 T1553 L1554 | M1550-T1552 PolarHBondContact O-N 3.12Å; M1550-T1553 PolarHBondContact O-N 3.25Å; M1550-L1554 WeakPolarHBondContact O-CB 3.23Å; M1550-L1554 PolarHBondContact O-N 2.58Å; M1550-L1554 HydrophobicContact SD-CD1 4.07Å |
| 1551 | E | 37.8 | Very low | 38.3 | Very low | 144 Ų | 144 | 110.7 Ų | 110.7 | 67% | 0.673 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.5 | -42.2 | -178.4 | -81 | -173.6 | 160.6 | 0 | 0 | 112.7 | T1553 T1555 | E1551-T1553 VanDerWaalsContact C-N 3.34Å; E1551-T1555 WeakPolarHBondContact O-CB 3.17Å; E1551-T1555 WeakPolarHBondContact O-CG2 3.18Å; E1551-T1555 PolarHBondContact O-N 2.88Å; E1551-T1555 PolarHBondContact O-OG1 3.38Å |
| 1552 | T | 41.7 | Very low | 39.6 | Very low | 80 Ų | 80 | 104.8 Ų | 104.8 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | S1549 M1550 T1555 I1556 | S1549-T1552 PolarHBondContact O-OG1 3.1Å; S1549-T1552 VanDerWaalsContact O-OG1 3.06Å; M1550-T1552 PolarHBondContact O-N 3.12Å; T1552-T1555 VanDerWaalsContact CA-OG1 3.24Å; T1552-T1555 WeakPolarHBondContact CA-OG1 3.25Å; T1552-T1555 PolarHBondContact O-OG1 3.25Å; T1552-I1556 WeakPolarHBondContact O-CD1 3.42Å; T1552-I1556 VanDerWaalsContact O-CG1 3.26Å; T1552-I1556 WeakPolarHBondContact O-CG1 3.34Å; T1552-I1556 PolarHBondContact O-N 2.92Å |
| 1553 | T | 41 | Very low | 40.4 | Very low | 70 Ų | 70 | 105 Ų | 105 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 178.1 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | S1549 M1550 E1551 T1555 I1556 Y1557 | S1549-T1553 PolarHBondContact O-N 3.25Å; S1549-T1553 PolarHBondContact O-OG1 3.43Å; M1550-T1553 PolarHBondContact O-N 3.25Å; E1551-T1553 VanDerWaalsContact C-N 3.34Å; T1553-T1555 PolarHBondContact O-N 2.9Å; T1553-I1556 PolarHBondContact O-N 3.37Å; T1553-Y1557 HydrophobicContact CG2-CD2 3.82Å; T1553-Y1557 HydrophobicContact CG2-CE2 3.54Å; T1553-Y1557 WeakPolarHBondContact O-CD2 3.38Å; T1553-Y1557 PolarHBondContact O-N 3.29Å; T1553-Y1557 VanDerWaalsContact O-N 3.08Å |
| 1554 | L | 44.6 | Very low | 41.4 | Very low | 55 Ų | 55 | 99.2 Ų | 99.2 | 29% | 0.288 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 175.6 | -96.2 | 144.1 | 0 | 0 | 0 | 112.4 | M1550 T1558 W1591 | M1550-L1554 WeakPolarHBondContact O-CB 3.23Å; M1550-L1554 PolarHBondContact O-N 2.58Å; M1550-L1554 HydrophobicContact SD-CD1 4.07Å; L1554-T1558 WeakPolarHBondContact O-CB 3.25Å; L1554-T1558 VanDerWaalsContact O-CG2 3.28Å; L1554-T1558 WeakPolarHBondContact O-CG2 3.07Å; L1554-T1558 PolarHBondContact O-N 3.38Å; L1554-T1558 PolarHBondContact O-OG1 2.77Å; L1554-W1591 HydrophobicContact CD2-CH2 4.04Å; L1554-W1591 HydrophobicContact CD2-CZ2 4.43Å |
| 1555 | T | 45.4 | Very low | 42.1 | Very low | 55 Ų | 55 | 91.8 Ų | 91.8 | 34% | 0.337 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.7 | 39.4 | 0 | 0 | 0 | 0 | 112.8 | E1551 T1552 T1553 T1558 N1559 | E1551-T1555 WeakPolarHBondContact O-CB 3.17Å; E1551-T1555 WeakPolarHBondContact O-CG2 3.18Å; E1551-T1555 PolarHBondContact O-N 2.88Å; E1551-T1555 PolarHBondContact O-OG1 3.38Å; T1552-T1555 VanDerWaalsContact CA-OG1 3.24Å; T1552-T1555 WeakPolarHBondContact CA-OG1 3.25Å; T1552-T1555 PolarHBondContact O-OG1 3.25Å; T1553-T1555 PolarHBondContact O-N 2.9Å; T1555-T1558 VanDerWaalsContact CA-OG1 3.23Å; T1555-T1558 WeakPolarHBondContact CA-OG1 3.38Å; T1555-T1558 PolarHBondContact O-OG1 3.31Å; T1555-N1559 VanDerWaalsContact O-CB 3.24Å; T1555-N1559 WeakPolarHBondContact O-CB 3.13Å; T1555-N1559 VanDerWaalsContact O-CG 3.23Å; T1555-N1559 PolarHBondContact O-N 3.46Å; T1555-N1559 PolarHBondContact O-ND2 2.65Å; T1555-N1559 VanDerWaalsContact O-ND2 3.07Å |
| 1556 | I | 43.6 | Very low | 42.7 | Very low | 109 Ų | 109 | 91 Ų | 91 | 56% | 0.559 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.7 | -46.3 | 175.3 | -67.1 | 165.2 | 0 | 0 | 0 | 110.5 | T1552 T1553 N1559 L1560 | T1552-I1556 WeakPolarHBondContact O-CD1 3.42Å; T1552-I1556 VanDerWaalsContact O-CG1 3.26Å; T1552-I1556 WeakPolarHBondContact O-CG1 3.34Å; T1552-I1556 PolarHBondContact O-N 2.92Å; T1553-I1556 PolarHBondContact O-N 3.37Å; I1556-N1559 PolarHBondContact O-N 2.92Å; I1556-L1560 WeakPolarHBondContact O-CB 3.37Å; I1556-L1560 PolarHBondContact O-N 2.67Å |
| 1557 | Y | 42.9 | Very low | 43.5 | Very low | 152 Ų | 152 | 87 Ų | 87 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 179.5 | -77.9 | -65.4 | 0 | 0 | 0 | 112.6 | T1553 L1560 I1561 | T1553-Y1557 HydrophobicContact CG2-CD2 3.82Å; T1553-Y1557 HydrophobicContact CG2-CE2 3.54Å; T1553-Y1557 WeakPolarHBondContact O-CD2 3.38Å; T1553-Y1557 PolarHBondContact O-N 3.29Å; T1553-Y1557 VanDerWaalsContact O-N 3.08Å; Y1557-L1560 PolarHBondContact O-N 3.46Å; Y1557-I1561 VanDerWaalsContact O-CG1 3.3Å; Y1557-I1561 WeakPolarHBondContact O-CG1 3.35Å; Y1557-I1561 PolarHBondContact O-N 3.41Å |
| 1558 | T | 45.6 | Very low | 43.9 | Very low | 26 Ų | 26 | 83.7 Ų | 83.7 | 16% | 0.16 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.5 | 46.5 | 0 | 0 | 0 | 0 | 111.1 | L1554 T1555 L1560 I1561 I1562 | L1554-T1558 WeakPolarHBondContact O-CB 3.25Å; L1554-T1558 VanDerWaalsContact O-CG2 3.28Å; L1554-T1558 WeakPolarHBondContact O-CG2 3.07Å; L1554-T1558 PolarHBondContact O-N 3.38Å; L1554-T1558 PolarHBondContact O-OG1 2.77Å; T1555-T1558 VanDerWaalsContact CA-OG1 3.23Å; T1555-T1558 WeakPolarHBondContact CA-OG1 3.38Å; T1555-T1558 PolarHBondContact O-OG1 3.31Å; T1558-L1560 PolarHBondContact O-N 2.87Å; T1558-I1561 PolarHBondContact O-N 2.91Å; T1558-I1562 WeakPolarHBondContact O-CB 3.19Å; T1558-I1562 WeakPolarHBondContact O-CD1 2.99Å; T1558-I1562 WeakPolarHBondContact O-CG1 3.22Å; T1558-I1562 PolarHBondContact O-N 3.24Å |
| 1559 | N | 47.2 | Very low | 44.4 | Very low | 94 Ų | 94 | 80.5 Ų | 80.5 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.8 | -81.3 | -34.3 | 0 | 0 | 0 | 113.5 | T1555 I1556 I1562 K1563 | T1555-N1559 VanDerWaalsContact O-CB 3.24Å; T1555-N1559 WeakPolarHBondContact O-CB 3.13Å; T1555-N1559 VanDerWaalsContact O-CG 3.23Å; T1555-N1559 PolarHBondContact O-N 3.46Å; T1555-N1559 PolarHBondContact O-ND2 2.65Å; T1555-N1559 VanDerWaalsContact O-ND2 3.07Å; I1556-N1559 PolarHBondContact O-N 2.92Å; N1559-I1562 PolarHBondContact O-N 3.48Å; N1559-K1563 WeakPolarHBondContact O-CG 3.09Å; N1559-K1563 PolarHBondContact O-N 3.42Å |
| 1560 | L | 45.5 | Very low | 44.8 | Very low | 104 Ų | 104 | 85 Ų | 85 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | -179.2 | -143.6 | 148.6 | 0 | 0 | 0 | 111 | I1556 Y1557 T1558 K1563 C1564 | I1556-L1560 WeakPolarHBondContact O-CB 3.37Å; I1556-L1560 PolarHBondContact O-N 2.67Å; Y1557-L1560 PolarHBondContact O-N 3.46Å; T1558-L1560 PolarHBondContact O-N 2.87Å; L1560-K1563 PolarHBondContact O-N 3.15Å; L1560-C1564 PolarHBondContact O-N 3.07Å; L1560-C1564 PolarHBondContact O-SG 2.63Å |
| 1561 | I | 46.9 | Very low | 45.3 | Very low | 66 Ų | 66 | 83.5 Ų | 83.5 | 34% | 0.338 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 174.5 | -66.1 | 169.3 | 0 | 0 | 0 | 111.2 | Y1557 T1558 K1563 C1564 L1565 F1588 | Y1557-I1561 VanDerWaalsContact O-CG1 3.3Å; Y1557-I1561 WeakPolarHBondContact O-CG1 3.35Å; Y1557-I1561 PolarHBondContact O-N 3.41Å; T1558-I1561 PolarHBondContact O-N 2.91Å; I1561-K1563 VanDerWaalsContact C-N 3.35Å; I1561-K1563 PolarHBondContact O-N 3.45Å; I1561-C1564 PolarHBondContact O-N 3.37Å; I1561-L1565 HydrophobicContact CG2-CD1 4.03Å; I1561-L1565 HydrophobicContact CG2-CG 4.41Å; I1561-L1565 WeakPolarHBondContact O-CG 3.29Å; I1561-L1565 PolarHBondContact O-N 3.33Å; I1561-F1588 HydrophobicContact CD1-CE2 4.27Å; I1561-F1588 HydrophobicContact CG2-CE2 4.48Å; I1561-F1588 HydrophobicContact CG2-CZ 4.42Å |
| 1562 | I | 48 | Very low | 45.4 | Very low | 44 Ų | 44 | 84.2 Ų | 84.2 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 173.8 | -69.9 | 161.6 | 0 | 0 | 0 | 109.9 | T1558 N1559 C1564 L1565 L1566 L1608 | T1558-I1562 WeakPolarHBondContact O-CB 3.19Å; T1558-I1562 WeakPolarHBondContact O-CD1 2.99Å; T1558-I1562 WeakPolarHBondContact O-CG1 3.22Å; T1558-I1562 PolarHBondContact O-N 3.24Å; N1559-I1562 PolarHBondContact O-N 3.48Å; I1562-C1564 VanDerWaalsContact C-N 3.3Å; I1562-C1564 PolarHBondContact O-N 2.91Å; I1562-L1565 PolarHBondContact O-N 3.34Å; I1562-L1566 HydrophobicContact CG2-CD1 3.73Å; I1562-L1566 HydrophobicContact CG2-CG 4.14Å; I1562-L1566 WeakPolarHBondContact O-CB 3.47Å; I1562-L1566 VanDerWaalsContact O-CG 3.25Å; I1562-L1566 WeakPolarHBondContact O-CG 3.24Å; I1562-L1566 PolarHBondContact O-N 3.08Å; I1562-L1608 HydrophobicContact CD1-CD1 3.61Å; I1562-L1608 HydrophobicContact CG1-CD1 3.61Å; I1562-L1608 HydrophobicContact CG1-CG 4.15Å |
| 1563 | K | 45 | Very low | 45.6 | Very low | 159 Ų | 159 | 87.5 Ų | 87.5 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.9 | -38.4 | 176.2 | -79.2 | -172.2 | 177.1 | -176 | 0 | 112.4 | N1559 L1560 I1561 C1567 | N1559-K1563 WeakPolarHBondContact O-CG 3.09Å; N1559-K1563 PolarHBondContact O-N 3.42Å; L1560-K1563 PolarHBondContact O-N 3.15Å; I1561-K1563 VanDerWaalsContact C-N 3.35Å; I1561-K1563 PolarHBondContact O-N 3.45Å; K1563-C1567 VanDerWaalsContact O-CB 3.26Å; K1563-C1567 WeakPolarHBondContact O-CB 3.46Å; K1563-C1567 PolarHBondContact O-N 3.06Å |
| 1564 | C | 46.3 | Very low | 45.6 | Very low | 49 Ų | 49 | 91.8 Ų | 91.8 | 33% | 0.331 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 174.8 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | L1560 I1561 I1562 L1566 C1567 I1568 | L1560-C1564 PolarHBondContact O-N 3.07Å; L1560-C1564 PolarHBondContact O-SG 2.63Å; I1561-C1564 PolarHBondContact O-N 3.37Å; I1562-C1564 VanDerWaalsContact C-N 3.3Å; I1562-C1564 PolarHBondContact O-N 2.91Å; C1564-L1566 VanDerWaalsContact C-N 3.35Å; C1564-L1566 PolarHBondContact O-N 3.33Å; C1564-C1567 PolarHBondContact O-N 2.68Å; C1564-I1568 WeakPolarHBondContact O-CD1 3.27Å; C1564-I1568 VanDerWaalsContact O-CG1 3.24Å; C1564-I1568 WeakPolarHBondContact O-CG1 3.36Å; C1564-I1568 PolarHBondContact O-N 3.32Å |
| 1565 | L | 48 | Very low | 45.7 | Very low | 35 Ų | 35 | 93.5 Ų | 93.5 | 18% | 0.183 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 175.7 | -75.5 | 169.4 | 0 | 0 | 0 | 111.9 | I1561 I1562 I1568 N1569 | I1561-L1565 HydrophobicContact CG2-CD1 4.03Å; I1561-L1565 HydrophobicContact CG2-CG 4.41Å; I1561-L1565 WeakPolarHBondContact O-CG 3.29Å; I1561-L1565 PolarHBondContact O-N 3.33Å; I1562-L1565 PolarHBondContact O-N 3.34Å; L1565-I1568 PolarHBondContact O-N 3.15Å; L1565-N1569 WeakPolarHBondContact O-CB 3.23Å; L1565-N1569 PolarHBondContact O-N 3.38Å |
| 1566 | L | 48.5 | Very low | 45.8 | Very low | 86 Ų | 86 | 96.1 Ų | 96.1 | 45% | 0.45 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 174.4 | -73.7 | 172 | 0 | 0 | 0 | 111.6 | I1562 C1564 I1568 N1569 Q1570 | I1562-L1566 HydrophobicContact CG2-CD1 3.73Å; I1562-L1566 HydrophobicContact CG2-CG 4.14Å; I1562-L1566 WeakPolarHBondContact O-CB 3.47Å; I1562-L1566 VanDerWaalsContact O-CG 3.25Å; I1562-L1566 WeakPolarHBondContact O-CG 3.24Å; I1562-L1566 PolarHBondContact O-N 3.08Å; C1564-L1566 VanDerWaalsContact C-N 3.35Å; C1564-L1566 PolarHBondContact O-N 3.33Å; L1566-I1568 VanDerWaalsContact C-N 3.31Å; L1566-I1568 PolarHBondContact O-N 3Å; L1566-N1569 CarbonylContact O-C 3.6Å; L1566-N1569 PolarHBondContact O-N 3.45Å; L1566-N1569 VanDerWaalsContact O-N 3.15Å; L1566-Q1570 WeakPolarHBondContact O-CG 3.31Å; L1566-Q1570 PolarHBondContact O-N 3.49Å |
| 1567 | C | 45.6 | Very low | 46.3 | Very low | 62 Ų | 62 | 93.3 Ų | 93.3 | 42% | 0.419 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.3 | -162.1 | 0 | 0 | 0 | 0 | 110.9 | K1563 C1564 Q1570 L1571 | K1563-C1567 VanDerWaalsContact O-CB 3.26Å; K1563-C1567 WeakPolarHBondContact O-CB 3.46Å; K1563-C1567 PolarHBondContact O-N 3.06Å; C1564-C1567 PolarHBondContact O-N 2.68Å; C1567-Q1570 WeakPolarHBondContact O-CB 3.43Å; C1567-Q1570 PolarHBondContact O-N 3.16Å; C1567-Q1570 VanDerWaalsContact O-N 3.15Å; C1567-L1571 VanDerWaalsContact O-CG 3.3Å; C1567-L1571 WeakPolarHBondContact O-CG 3.45Å; C1567-L1571 PolarHBondContact O-N 3.45Å |
| 1568 | I | 45.3 | Very low | 46.9 | Very low | 62 Ų | 62 | 90.8 Ų | 90.8 | 32% | 0.318 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 173.6 | -66.9 | 162.7 | 0 | 0 | 0 | 111.3 | C1564 L1565 L1566 Q1570 L1571 R1572 F1581 | C1564-I1568 WeakPolarHBondContact O-CD1 3.27Å; C1564-I1568 VanDerWaalsContact O-CG1 3.24Å; C1564-I1568 WeakPolarHBondContact O-CG1 3.36Å; C1564-I1568 PolarHBondContact O-N 3.32Å; L1565-I1568 PolarHBondContact O-N 3.15Å; L1566-I1568 VanDerWaalsContact C-N 3.31Å; L1566-I1568 PolarHBondContact O-N 3Å; I1568-Q1570 PolarHBondContact O-N 2.97Å; I1568-L1571 CarbonylContact O-C 3.55Å; I1568-L1571 VanDerWaalsContact O-C 3.32Å; I1568-L1571 WeakPolarHBondContact O-CA 3.4Å; I1568-L1571 PolarHBondContact O-N 3.07Å; I1568-L1571 VanDerWaalsContact O-N 3.13Å; I1568-R1572 PolarHBondContact O-N 3.41Å; I1568-F1581 HydrophobicContact CD1-CE2 3.75Å; I1568-F1581 HydrophobicContact CD1-CZ 3.8Å |
| 1569 | N | 46.3 | Very low | 47.2 | Very low | 59 Ų | 59 | 92.7 Ų | 92.7 | 32% | 0.316 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.7 | -18.1 | 175 | -146.8 | 15.4 | 0 | 0 | 0 | 112.5 | L1565 L1566 R1572 | L1565-N1569 WeakPolarHBondContact O-CB 3.23Å; L1565-N1569 PolarHBondContact O-N 3.38Å; L1566-N1569 CarbonylContact O-C 3.6Å; L1566-N1569 PolarHBondContact O-N 3.45Å; L1566-N1569 VanDerWaalsContact O-N 3.15Å; N1569-R1572 WeakPolarHBondContact O-CB 3.24Å |
| 1570 | Q | 49 | Very low | 47.3 | Very low | 160 Ų | 160 | 93.7 Ų | 93.7 | 75% | 0.748 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -80 | -38.6 | 166.7 | -72.8 | 177.4 | -13.8 | 0 | 0 | 111.1 | L1566 C1567 I1568 R1572 | L1566-Q1570 WeakPolarHBondContact O-CG 3.31Å; L1566-Q1570 PolarHBondContact O-N 3.49Å; C1567-Q1570 WeakPolarHBondContact O-CB 3.43Å; C1567-Q1570 PolarHBondContact O-N 3.16Å; C1567-Q1570 VanDerWaalsContact O-N 3.15Å; I1568-Q1570 PolarHBondContact O-N 2.97Å; Q1570-R1572 PolarHBondContact O-N 3.22Å; Q1570-R1572 VanDerWaalsContact O-N 3.12Å |
| 1571 | L | 46.6 | Very low | 47.9 | Very low | 82 Ų | 82 | 91.1 Ų | 91.1 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -75 | 9.7 | 172.8 | -62.1 | 169.8 | 0 | 0 | 0 | 113.3 | C1567 I1568 N1573 E1574 | C1567-L1571 VanDerWaalsContact O-CG 3.3Å; C1567-L1571 WeakPolarHBondContact O-CG 3.45Å; C1567-L1571 PolarHBondContact O-N 3.45Å; I1568-L1571 CarbonylContact O-C 3.55Å; I1568-L1571 VanDerWaalsContact O-C 3.32Å; I1568-L1571 WeakPolarHBondContact O-CA 3.4Å; I1568-L1571 PolarHBondContact O-N 3.07Å; I1568-L1571 VanDerWaalsContact O-N 3.13Å; L1571-N1573 PolarHBondContact O-N 2.94Å; L1571-E1574 PolarHBondContact O-N 3.4Å |
| 1572 | R | 41.4 | Very low | 48.6 | Very low | 160 Ų | 160 | 88 Ų | 88 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -18.8 | -175.6 | 171.4 | -177.2 | -175.8 | -174.8 | 1.6 | 116.2 | I1568 N1569 Q1570 | I1568-R1572 PolarHBondContact O-N 3.41Å; N1569-R1572 WeakPolarHBondContact O-CB 3.24Å; Q1570-R1572 PolarHBondContact O-N 3.22Å; Q1570-R1572 VanDerWaalsContact O-N 3.12Å |
| 1573 | N | 45.8 | Very low | 48.9 | Very low | 148 Ų | 148 | 89 Ų | 89 | 79% | 0.791 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -11.5 | -176.3 | -65 | -13 | 0 | 0 | 0 | 114.1 | L1571 | L1571-N1573 PolarHBondContact O-N 2.94Š|
| 1574 | E | 40.7 | Very low | 49.4 | Very low | 161 Ų | 161 | 83 Ų | 83 | 75% | 0.752 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -17.2 | -167.1 | -64.8 | -172 | 171.9 | 0 | 0 | 115 | L1571 | L1571-E1574 PolarHBondContact O-N 3.4Š|
| 1575 | C | 46.2 | Very low | 50.2 | Low | 91 Ų | 91 | 81.2 Ų | 81.2 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | trans | -115.1 | 120.9 | -172 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | M1577 | C1575-M1577 PolarHBondContact O-N 3.44Š| ||
| 1576 | P | 48.3 | Very low | 50.9 | Low | 110 Ų | 110 | 79.9 Ų | 79.9 | 71% | 0.714 | 43% | 0.427 | S | S | * | . | trans | -67.8 | 125.9 | 165.4 | 26.2 | -29.9 | 0 | 0 | 0 | 110.1 | N1578 | P1576-N1578 PolarHBondContact O-N 2.98Š| ||
| 1577 | M | 53.1 | Low | 51.3 | Low | 49 Ų | 49 | 80.6 Ų | 80.6 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | trans | -62.5 | 129.7 | 171.2 | -76.3 | -84.9 | -77.3 | 0 | 0 | 109.4 | C1575 F1581 L1585 L1622 F1623 | C1575-M1577 PolarHBondContact O-N 3.44Å; M1577-F1581 HydrophobicContact CE-CD1 3.26Å; M1577-F1581 HydrophobicContact CE-CE1 3.53Å; M1577-F1581 HydrophobicContact CE-CG 4.43Å; M1577-F1581 HydrophobicContact SD-CD1 3.17Å; M1577-F1581 WeakPolarHBondContact SD-CD1 3.48Å; M1577-F1581 HydrophobicContact SD-CE1 3.35Å; M1577-F1581 WeakPolarHBondContact SD-CE1 3.31Å; M1577-F1581 HydrophobicContact SD-CG 4.02Å; M1577-F1581 HydrophobicContact SD-CZ 4.35Å; M1577-L1585 HydrophobicContact CE-CD1 3.73Å; M1577-L1622 HydrophobicContact CB-CD1 4.15Å; M1577-L1622 HydrophobicContact CG-CD1 4.41Å; M1577-F1623 HydrophobicContact CB-CE2 4.14Å; M1577-F1623 WeakPolarHBondContact O-CE2 3.47Å; M1577-F1623 WeakPolarHBondContact O-CZ 3.22Å | ||
| 1578 | N | 55.9 | Low | 52 | Low | 99 Ų | 99 | 79.7 Ų | 79.7 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | trans | -104.8 | 160.3 | 175.9 | -77.4 | -13.3 | 0 | 0 | 0 | 111.8 | P1576 I1580 F1581 A1582 | P1576-N1578 PolarHBondContact O-N 2.98Å; N1578-I1580 VanDerWaalsContact C-N 3.27Å; N1578-I1580 PolarHBondContact O-N 3.11Å; N1578-F1581 WeakPolarHBondContact O-CB 3.13Å; N1578-F1581 PolarHBondContact O-N 2.97Å; N1578-A1582 PolarHBondContact O-N 3.48Å; N1578-A1582 VanDerWaalsContact O-N 3.17Å | ||
| 1579 | S | 50.8 | Low | 52.9 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.2 | -34.6 | -177.4 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | F1581 A1582 T1583 | S1579-F1581 VanDerWaalsContact C-N 3.26Å; S1579-F1581 PolarHBondContact O-N 2.87Å; S1579-A1582 PolarHBondContact O-N 2.92Å; S1579-T1583 PolarHBondContact O-N 2.91Å; S1579-T1583 PolarHBondContact O-OG1 3.08Å |
| 1580 | I | 51.1 | Low | 53.4 | Low | 115 Ų | 115 | 76.2 Ų | 76.2 | 59% | 0.59 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.7 | -39.2 | 175.2 | -61.8 | 172.2 | 0 | 0 | 0 | 110.8 | N1578 T1583 A1584 | N1578-I1580 VanDerWaalsContact C-N 3.27Å; N1578-I1580 PolarHBondContact O-N 3.11Å; I1580-T1583 VanDerWaalsContact CA-OG1 3.31Å; I1580-T1583 WeakPolarHBondContact CA-OG1 3.38Å; I1580-T1583 PolarHBondContact O-OG1 3.2Å; I1580-A1584 WeakPolarHBondContact O-CB 3.41Å; I1580-A1584 PolarHBondContact O-N 3.14Å |
| 1581 | F | 57.5 | Low | 53.9 | Low | 50 Ų | 50 | 73.8 Ų | 73.8 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -75.3 | -37.8 | 179.4 | -169 | -85.4 | 0 | 0 | 0 | 111.4 | I1568 M1577 N1578 S1579 T1583 A1584 L1585 | I1568-F1581 HydrophobicContact CD1-CE2 3.75Å; I1568-F1581 HydrophobicContact CD1-CZ 3.8Å; M1577-F1581 HydrophobicContact CE-CD1 3.26Å; M1577-F1581 HydrophobicContact CE-CE1 3.53Å; M1577-F1581 HydrophobicContact CE-CG 4.43Å; M1577-F1581 HydrophobicContact SD-CD1 3.17Å; M1577-F1581 WeakPolarHBondContact SD-CD1 3.48Å; M1577-F1581 HydrophobicContact SD-CE1 3.35Å; M1577-F1581 WeakPolarHBondContact SD-CE1 3.31Å; M1577-F1581 HydrophobicContact SD-CG 4.02Å; M1577-F1581 HydrophobicContact SD-CZ 4.35Å; N1578-F1581 WeakPolarHBondContact O-CB 3.13Å; N1578-F1581 PolarHBondContact O-N 2.97Å; S1579-F1581 VanDerWaalsContact C-N 3.26Å; S1579-F1581 PolarHBondContact O-N 2.87Å; F1581-T1583 VanDerWaalsContact C-N 3.3Å; F1581-T1583 PolarHBondContact O-N 2.82Å; F1581-A1584 WeakPolarHBondContact O-CB 3.16Å; F1581-A1584 PolarHBondContact O-N 2.95Å; F1581-L1585 HydrophobicContact CD1-CD1 3.93Å; F1581-L1585 HydrophobicContact CD1-CG 4.09Å; F1581-L1585 HydrophobicContact CE1-CD1 3.63Å; F1581-L1585 HydrophobicContact CE1-CD2 4.31Å; F1581-L1585 HydrophobicContact CE1-CG 3.75Å; F1581-L1585 PolarHBondContact O-N 3.45Å |
| 1582 | A | 62 | Low | 54.5 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1578 S1579 L1585 V1586 A1619 F1623 I1629 | N1578-A1582 PolarHBondContact O-N 3.48Å; N1578-A1582 VanDerWaalsContact O-N 3.17Å; S1579-A1582 PolarHBondContact O-N 2.92Å; A1582-L1585 PolarHBondContact O-N 3.47Å; A1582-V1586 WeakPolarHBondContact O-CG2 3.35Å; A1582-V1586 PolarHBondContact O-N 2.77Å; A1582-V1586 VanDerWaalsContact O-N 3.1Å; A1582-A1619 HydrophobicContact CB-CB 4.38Å; A1582-F1623 HydrophobicContact CB-CD2 3.81Å; A1582-F1623 HydrophobicContact CB-CE2 4.35Å; A1582-F1623 HydrophobicContact CB-CG 4.39Å; A1582-I1629 HydrophobicContact CB-CD1 4.21Å |
| 1583 | T | 54.4 | Low | 55.5 | Low | 64 Ų | 64 | 65 Ų | 65 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 172.9 | 18.3 | 0 | 0 | 0 | 0 | 112.3 | S1579 I1580 F1581 V1586 N1587 | S1579-T1583 PolarHBondContact O-N 2.91Å; S1579-T1583 PolarHBondContact O-OG1 3.08Å; I1580-T1583 VanDerWaalsContact CA-OG1 3.31Å; I1580-T1583 WeakPolarHBondContact CA-OG1 3.38Å; I1580-T1583 PolarHBondContact O-OG1 3.2Å; F1581-T1583 VanDerWaalsContact C-N 3.3Å; F1581-T1583 PolarHBondContact O-N 2.82Å; T1583-V1586 PolarHBondContact O-N 3.44Å; T1583-N1587 VanDerWaalsContact O-CG 3.29Å; T1583-N1587 PolarHBondContact O-N 3.23Å; T1583-N1587 PolarHBondContact O-ND2 2.56Å |
| 1584 | A | 54.9 | Low | 56.1 | Low | 33 Ų | 33 | 60.8 Ų | 60.8 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1580 F1581 N1587 F1588 | I1580-A1584 WeakPolarHBondContact O-CB 3.41Å; I1580-A1584 PolarHBondContact O-N 3.14Å; F1581-A1584 WeakPolarHBondContact O-CB 3.16Å; F1581-A1584 PolarHBondContact O-N 2.95Å; A1584-N1587 PolarHBondContact O-N 3.5Å; A1584-F1588 PolarHBondContact O-N 3.39Å |
| 1585 | L | 63 | Low | 56.8 | Low | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.5 | -81.9 | 175.2 | 0 | 0 | 0 | 112.3 | M1577 F1581 A1582 F1588 S1589 N1615 L1616 A1619 | M1577-L1585 HydrophobicContact CE-CD1 3.73Å; F1581-L1585 HydrophobicContact CD1-CD1 3.93Å; F1581-L1585 HydrophobicContact CD1-CG 4.09Å; F1581-L1585 HydrophobicContact CE1-CD1 3.63Å; F1581-L1585 HydrophobicContact CE1-CD2 4.31Å; F1581-L1585 HydrophobicContact CE1-CG 3.75Å; F1581-L1585 PolarHBondContact O-N 3.45Å; A1582-L1585 PolarHBondContact O-N 3.47Å; L1585-F1588 PolarHBondContact O-N 3.43Å; L1585-S1589 WeakPolarHBondContact O-CB 3.25Å; L1585-S1589 PolarHBondContact O-N 3.41Å; L1585-S1589 PolarHBondContact O-OG 3.25Å; L1585-N1615 HydrophobicContact CD1-CB 4.09Å; L1585-N1615 HydrophobicContact CD2-CB 4.39Å; L1585-L1616 HydrophobicContact CB-CD2 4.27Å; L1585-A1619 HydrophobicContact CD1-CB 4.42Å |
| 1586 | V | 63.8 | Low | 57.4 | Low | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 175.8 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | A1582 T1583 F1588 S1589 S1590 L1616 N1628 I1629 T1632 | A1582-V1586 WeakPolarHBondContact O-CG2 3.35Å; A1582-V1586 PolarHBondContact O-N 2.77Å; A1582-V1586 VanDerWaalsContact O-N 3.1Å; T1583-V1586 PolarHBondContact O-N 3.44Å; V1586-F1588 VanDerWaalsContact C-N 3.32Å; V1586-F1588 PolarHBondContact O-N 2.95Å; V1586-S1589 WeakPolarHBondContact CA-OG 3.12Å; V1586-S1589 PolarHBondContact O-N 2.66Å; V1586-S1589 PolarHBondContact O-OG 3.24Å; V1586-S1590 PolarHBondContact O-N 3.26Å; V1586-S1590 PolarHBondContact O-OG 3.3Å; V1586-L1616 HydrophobicContact CG2-CD2 4.37Å; V1586-N1628 HydrophobicContact CG1-CB 3.45Å; V1586-N1628 VanDerWaalsContact CG1-CB 3.45Å; V1586-N1628 HydrophobicContact CG2-CB 4.48Å; V1586-I1629 HydrophobicContact CG2-CB 4.28Å; V1586-I1629 HydrophobicContact CG2-CG1 3.46Å; V1586-I1629 VanDerWaalsContact CG2-CG1 3.46Å; V1586-T1632 HydrophobicContact CG1-CG2 4.24Å |
| 1587 | N | 55.7 | Low | 57.8 | Low | 102 Ų | 102 | 53.4 Ų | 53.4 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | -178.7 | -70.4 | -13.8 | 0 | 0 | 0 | 112.5 | T1583 A1584 S1590 W1591 | T1583-N1587 VanDerWaalsContact O-CG 3.29Å; T1583-N1587 PolarHBondContact O-N 3.23Å; T1583-N1587 PolarHBondContact O-ND2 2.56Å; A1584-N1587 PolarHBondContact O-N 3.5Å; N1587-S1590 WeakPolarHBondContact CA-OG 3.33Å; N1587-S1590 PolarHBondContact O-OG 2.89Å; N1587-W1591 WeakPolarHBondContact O-CB 3.31Å; N1587-W1591 PolarHBondContact O-N 3.46Å; N1587-W1591 VanDerWaalsContact O-N 3.1Å |
| 1588 | F | 59.6 | Low | 57.7 | Low | 42 Ų | 42 | 56 Ų | 56 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 173.2 | -179.6 | -106.5 | 0 | 0 | 0 | 111.7 | I1561 A1584 L1585 V1586 S1590 W1591 W1592 L1608 L1612 | I1561-F1588 HydrophobicContact CD1-CE2 4.27Å; I1561-F1588 HydrophobicContact CG2-CE2 4.48Å; I1561-F1588 HydrophobicContact CG2-CZ 4.42Å; A1584-F1588 PolarHBondContact O-N 3.39Å; L1585-F1588 PolarHBondContact O-N 3.43Å; V1586-F1588 VanDerWaalsContact C-N 3.32Å; V1586-F1588 PolarHBondContact O-N 2.95Å; F1588-S1590 VanDerWaalsContact C-N 3.35Å; F1588-S1590 PolarHBondContact O-N 3.23Å; F1588-W1591 HydrophobicContact CD2-CE3 4.06Å; F1588-W1591 HydrophobicContact CD2-CZ3 4.48Å; F1588-W1591 AromaticContact CE2-CE3 3.82Å; F1588-W1591 HydrophobicContact CE2-CE3 3.82Å; F1588-W1591 AromaticContact CE2-CZ3 3.8Å; F1588-W1591 HydrophobicContact CE2-CZ3 3.8Å; F1588-W1591 HydrophobicContact CZ-CZ3 4.47Å; F1588-W1591 PolarHBondContact O-N 3.06Å; F1588-W1592 WeakPolarHBondContact O-CB 3.4Å; F1588-W1592 PolarHBondContact O-N 3.29Å; F1588-L1608 HydrophobicContact CE1-CD2 4.21Å; F1588-L1608 HydrophobicContact CZ-CD2 4.45Å; F1588-L1612 HydrophobicContact CD1-CD1 3.39Å; F1588-L1612 HydrophobicContact CE1-CD1 3.36Å |
| 1589 | S | 64.7 | Low | 57.5 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 178.9 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | L1585 V1586 L1593 | L1585-S1589 WeakPolarHBondContact O-CB 3.25Å; L1585-S1589 PolarHBondContact O-N 3.41Å; L1585-S1589 PolarHBondContact O-OG 3.25Å; V1586-S1589 WeakPolarHBondContact CA-OG 3.12Å; V1586-S1589 PolarHBondContact O-N 2.66Å; V1586-S1589 PolarHBondContact O-OG 3.24Å; S1589-L1593 WeakPolarHBondContact O-CB 3.33Å; S1589-L1593 WeakPolarHBondContact O-CD1 3.37Å; S1589-L1593 WeakPolarHBondContact O-CG 3.21Å; S1589-L1593 PolarHBondContact O-N 2.86Å |
| 1590 | S | 58.2 | Low | 57.3 | Low | 48 Ų | 48 | 63.3 Ų | 63.3 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | V1586 N1587 F1588 L1593 T1594 | V1586-S1590 PolarHBondContact O-N 3.26Å; V1586-S1590 PolarHBondContact O-OG 3.3Å; N1587-S1590 WeakPolarHBondContact CA-OG 3.33Å; N1587-S1590 PolarHBondContact O-OG 2.89Å; F1588-S1590 VanDerWaalsContact C-N 3.35Å; F1588-S1590 PolarHBondContact O-N 3.23Å; S1590-L1593 PolarHBondContact O-N 3.37Å; S1590-T1594 WeakPolarHBondContact O-CG2 3.5Å; S1590-T1594 PolarHBondContact O-N 3.15Å; S1590-T1594 PolarHBondContact O-OG1 3.14Å |
| 1591 | W | 57.8 | Low | 57.4 | Low | 109 Ų | 109 | 61.5 Ų | 61.5 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 174.4 | 175.6 | 79.6 | 0 | 0 | 0 | 112.4 | L1554 N1587 F1588 L1593 T1594 V1595 | L1554-W1591 HydrophobicContact CD2-CH2 4.04Å; L1554-W1591 HydrophobicContact CD2-CZ2 4.43Å; N1587-W1591 WeakPolarHBondContact O-CB 3.31Å; N1587-W1591 PolarHBondContact O-N 3.46Å; N1587-W1591 VanDerWaalsContact O-N 3.1Å; F1588-W1591 HydrophobicContact CD2-CE3 4.06Å; F1588-W1591 HydrophobicContact CD2-CZ3 4.48Å; F1588-W1591 AromaticContact CE2-CE3 3.82Å; F1588-W1591 HydrophobicContact CE2-CE3 3.82Å; F1588-W1591 AromaticContact CE2-CZ3 3.8Å; F1588-W1591 HydrophobicContact CE2-CZ3 3.8Å; F1588-W1591 HydrophobicContact CZ-CZ3 4.47Å; F1588-W1591 PolarHBondContact O-N 3.06Å; W1591-L1593 VanDerWaalsContact C-N 3.34Å; W1591-L1593 PolarHBondContact O-N 3.06Å; W1591-T1594 VanDerWaalsContact CA-OG1 3.28Å; W1591-T1594 WeakPolarHBondContact CA-OG1 3.4Å; W1591-T1594 PolarHBondContact O-N 3.36Å; W1591-T1594 PolarHBondContact O-OG1 3.37Å; W1591-V1595 HydrophobicContact CD2-CG2 4Å; W1591-V1595 VanDerWaalsContact CE2-CG2 3.47Å; W1591-V1595 HydrophobicContact CG-CG2 4.36Å; W1591-V1595 HydrophobicContact CH2-CG2 4.41Å; W1591-V1595 HydrophobicContact CZ2-CG2 3.72Å; W1591-V1595 WeakPolarHBondContact O-CG2 3.25Å; W1591-V1595 PolarHBondContact O-N 3.37Å |
| 1592 | W | 60.2 | Low | 56.6 | Low | 38 Ų | 38 | 63.2 Ų | 63.2 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.5 | -173.6 | 83.1 | 0 | 0 | 0 | 110.7 | F1588 T1594 V1595 N1596 Y1609 | F1588-W1592 WeakPolarHBondContact O-CB 3.4Å; F1588-W1592 PolarHBondContact O-N 3.29Å; W1592-T1594 VanDerWaalsContact C-N 3.31Å; W1592-T1594 PolarHBondContact O-N 3.47Å; W1592-V1595 PolarHBondContact O-N 2.97Å; W1592-N1596 WeakPolarHBondContact CH2-ND2 3.5Å; W1592-N1596 WeakPolarHBondContact CZ2-ND2 3.28Å; W1592-N1596 WeakPolarHBondContact O-CB 3.09Å; W1592-N1596 PolarHBondContact O-N 3.15Å; W1592-Y1609 AromaticContact CH2-CD2 3.53Å; W1592-Y1609 HydrophobicContact CH2-CD2 3.53Å; W1592-Y1609 HydrophobicContact CH2-CE2 4.23Å; W1592-Y1609 HydrophobicContact CH2-CG 4.47Å; W1592-Y1609 AromaticContact CZ3-CD2 3.66Å; W1592-Y1609 HydrophobicContact CZ3-CD2 3.66Å; W1592-Y1609 HydrophobicContact CZ3-CE2 4.06Å |
| 1593 | L | 62.9 | Low | 55.7 | Low | 19 Ų | 19 | 68.8 Ų | 68.8 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -31.9 | 175.2 | -75.3 | 167.1 | 0 | 0 | 0 | 113.7 | S1589 S1590 W1591 K1597 L1635 I1636 K1639 | S1589-L1593 WeakPolarHBondContact O-CB 3.33Å; S1589-L1593 WeakPolarHBondContact O-CD1 3.37Å; S1589-L1593 WeakPolarHBondContact O-CG 3.21Å; S1589-L1593 PolarHBondContact O-N 2.86Å; S1590-L1593 PolarHBondContact O-N 3.37Å; W1591-L1593 VanDerWaalsContact C-N 3.34Å; W1591-L1593 PolarHBondContact O-N 3.06Å; L1593-K1597 WeakPolarHBondContact O-CB 3.46Å; L1593-K1597 PolarHBondContact O-N 3.36Å; L1593-K1597 VanDerWaalsContact O-N 3.16Å; L1593-L1635 HydrophobicContact CD1-CB 4.43Å; L1593-I1636 HydrophobicContact CD1-CD1 4.4Å; L1593-I1636 HydrophobicContact CD1-CG1 3.81Å; L1593-I1636 HydrophobicContact CD2-CG1 4.08Å; L1593-I1636 HydrophobicContact CG-CG1 4.33Å; L1593-K1639 HydrophobicContact CD2-CD 4.24Å; L1593-K1639 PolarHBondContact O-NZ 3.07Å |
| 1594 | T | 57.6 | Low | 55.5 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 37% | 0.368 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -74.7 | -49.8 | 174.6 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | S1590 W1591 W1592 N1596 K1597 D1598 | S1590-T1594 WeakPolarHBondContact O-CG2 3.5Å; S1590-T1594 PolarHBondContact O-N 3.15Å; S1590-T1594 PolarHBondContact O-OG1 3.14Å; W1591-T1594 VanDerWaalsContact CA-OG1 3.28Å; W1591-T1594 WeakPolarHBondContact CA-OG1 3.4Å; W1591-T1594 PolarHBondContact O-N 3.36Å; W1591-T1594 PolarHBondContact O-OG1 3.37Å; W1592-T1594 VanDerWaalsContact C-N 3.31Å; W1592-T1594 PolarHBondContact O-N 3.47Å; T1594-N1596 VanDerWaalsContact C-N 3.27Å; T1594-N1596 PolarHBondContact O-N 3.43Å; T1594-K1597 WeakPolarHBondContact O-CA 3.26Å; T1594-K1597 WeakPolarHBondContact O-CB 3.06Å; T1594-K1597 PolarHBondContact O-N 3.43Å; T1594-D1598 PolarHBondContact O-N 3.32Å |
| 1595 | V | 56.1 | Low | 55.6 | Low | 21 Ų | 21 | 75.7 Ų | 75.7 | 13% | 0.127 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | W1591 W1592 K1597 D1598 Y1599 L1601 | W1591-V1595 HydrophobicContact CD2-CG2 4Å; W1591-V1595 VanDerWaalsContact CE2-CG2 3.47Å; W1591-V1595 HydrophobicContact CG-CG2 4.36Å; W1591-V1595 HydrophobicContact CH2-CG2 4.41Å; W1591-V1595 HydrophobicContact CZ2-CG2 3.72Å; W1591-V1595 WeakPolarHBondContact O-CG2 3.25Å; W1591-V1595 PolarHBondContact O-N 3.37Å; W1592-V1595 PolarHBondContact O-N 2.97Å; V1595-K1597 VanDerWaalsContact C-N 3.27Å; V1595-K1597 PolarHBondContact O-N 3.05Å; V1595-D1598 PolarHBondContact O-N 2.98Å; V1595-Y1599 HydrophobicContact CG1-CD2 3.99Å; V1595-Y1599 WeakPolarHBondContact O-CD2 3.42Å; V1595-Y1599 PolarHBondContact O-N 2.95Å; V1595-L1601 HydrophobicContact CG1-CD1 3.85Å |
| 1596 | N | 58.4 | Low | 55.2 | Low | 39 Ų | 39 | 80 Ų | 80 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72.6 | -22.1 | 177.9 | -145.3 | 9 | 0 | 0 | 0 | 112.5 | W1592 T1594 Q1600 L1601 | W1592-N1596 WeakPolarHBondContact CH2-ND2 3.5Å; W1592-N1596 WeakPolarHBondContact CZ2-ND2 3.28Å; W1592-N1596 WeakPolarHBondContact O-CB 3.09Å; W1592-N1596 PolarHBondContact O-N 3.15Å; T1594-N1596 VanDerWaalsContact C-N 3.27Å; T1594-N1596 PolarHBondContact O-N 3.43Å; N1596-Q1600 PolarHBondContact O-N 3.3Å; N1596-L1601 WeakPolarHBondContact OD1-CB 3.33Å; N1596-L1601 PolarHBondContact OD1-N 2.94Å; N1596-L1601 VanDerWaalsContact OD1-N 3.17Å; N1596-L1601 PolarHBondContact OD1-O 3.48Å |
| 1597 | K | 56.1 | Low | 54.9 | Low | 147 Ų | 147 | 85.8 Ų | 85.8 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.6 | -45.3 | 168.2 | -118.7 | 177 | -178.4 | -174.3 | 0 | 111 | L1593 T1594 V1595 | L1593-K1597 WeakPolarHBondContact O-CB 3.46Å; L1593-K1597 PolarHBondContact O-N 3.36Å; L1593-K1597 VanDerWaalsContact O-N 3.16Å; T1594-K1597 WeakPolarHBondContact O-CA 3.26Å; T1594-K1597 WeakPolarHBondContact O-CB 3.06Å; T1594-K1597 PolarHBondContact O-N 3.43Å; V1595-K1597 VanDerWaalsContact C-N 3.27Å; V1595-K1597 PolarHBondContact O-N 3.05Å |
| 1598 | D | 50.5 | Low | 55 | Low | 104 Ų | 104 | 81.7 Ų | 81.7 | 56% | 0.556 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -80.1 | -30.7 | -171 | -64.1 | -20.4 | 0 | 0 | 0 | 112.7 | T1594 V1595 | T1594-D1598 PolarHBondContact O-N 3.32Å; V1595-D1598 PolarHBondContact O-N 2.98Å |
| 1599 | Y | 51.4 | Low | 55.3 | Low | 148 Ų | 148 | 81.7 Ų | 81.7 | 58% | 0.58 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -120.2 | 0.9 | -169.7 | -63.3 | -78.6 | 0 | 0 | 0 | 115.7 | V1595 L1601 | V1595-Y1599 HydrophobicContact CG1-CD2 3.99Å; V1595-Y1599 WeakPolarHBondContact O-CD2 3.42Å; V1595-Y1599 PolarHBondContact O-N 2.95Å; Y1599-L1601 VanDerWaalsContact C-N 3.27Å; Y1599-L1601 PolarHBondContact O-N 2.95Å; Y1599-L1601 VanDerWaalsContact O-N 3.16Å |
| 1600 | Q | 48 | Very low | 55.4 | Low | 171 Ų | 171 | 85.3 Ų | 85.3 | 80% | 0.799 | 43% | 0.429 | S | S | * | . | trans | 40 | 53.6 | -178.4 | -68.1 | -172.1 | -11.3 | 0 | 0 | 112.8 | N1596 S1602 | N1596-Q1600 PolarHBondContact O-N 3.3Å; Q1600-S1602 PolarHBondContact O-N 3.21Å | ||
| 1601 | L | 53.2 | Low | 55.7 | Low | 78 Ų | 78 | 85.7 Ų | 85.7 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | trans | -64.1 | 102.4 | -179.3 | -68.6 | 165.9 | 0 | 0 | 0 | 108.6 | V1595 N1596 Y1599 V1603 | V1595-L1601 HydrophobicContact CG1-CD1 3.85Å; N1596-L1601 WeakPolarHBondContact OD1-CB 3.33Å; N1596-L1601 PolarHBondContact OD1-N 2.94Å; N1596-L1601 VanDerWaalsContact OD1-N 3.17Å; N1596-L1601 PolarHBondContact OD1-O 3.48Å; Y1599-L1601 VanDerWaalsContact C-N 3.27Å; Y1599-L1601 PolarHBondContact O-N 2.95Å; Y1599-L1601 VanDerWaalsContact O-N 3.16Å; L1601-V1603 PolarHBondContact O-N 3.25Å | ||
| 1602 | S | 40.5 | Very low | 56.1 | Low | 85 Ų | 85 | 80.9 Ų | 80.9 | 59% | 0.594 | 41% | 0.41 | S | S | * | . | trans | -55.1 | 131.1 | -176.8 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | Q1600 Q1604 | Q1600-S1602 PolarHBondContact O-N 3.21Å; S1602-Q1604 PolarHBondContact O-N 2.88Å | ||
| 1603 | V | 42.8 | Very low | 56.7 | Low | 118 Ų | 118 | 80.9 Ų | 80.9 | 72% | 0.715 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 16.2 | -6.8 | 159.3 | -163.1 | 0 | 0 | 0 | 0 | 122.2 | L1601 Y1605 | L1601-V1603 PolarHBondContact O-N 3.25Å; V1603-Y1605 PolarHBondContact O-N 2.74Å |
| 1604 | Q | 49.4 | Very low | 57.2 | Low | 162 Ų | 162 | 85 Ų | 85 | 76% | 0.757 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 1.9 | -174.2 | -68.8 | -171.2 | -8.5 | 0 | 0 | 115.5 | S1602 | S1602-Q1604 PolarHBondContact O-N 2.88Š|
| 1605 | Y | 57.4 | Low | 57.5 | Low | 79 Ų | 79 | 83.5 Ų | 83.5 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | 35.7 | -174.1 | -60.5 | -75.6 | 0 | 0 | 0 | 114.1 | V1603 D1607 L1608 Y1609 | V1603-Y1605 PolarHBondContact O-N 2.74Å; Y1605-D1607 PolarHBondContact O-N 3.18Å; Y1605-L1608 HydrophobicContact CD1-CD1 4.18Å; Y1605-L1608 WeakPolarHBondContact O-CB 3.21Å; Y1605-L1608 PolarHBondContact O-N 3.47Å; Y1605-Y1609 PolarHBondContact O-N 2.98Å |
| 1606 | D | 55.3 | Low | 58.4 | Low | 102 Ų | 102 | 82.5 Ų | 82.5 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55.9 | -35.9 | 176.1 | -84.5 | -12.9 | 0 | 0 | 0 | 112.9 | L1608 Y1609 T1610 | D1606-L1608 VanDerWaalsContact C-N 3.3Å; D1606-L1608 PolarHBondContact O-N 3.29Å; D1606-Y1609 PolarHBondContact O-N 3.01Å; D1606-T1610 WeakPolarHBondContact O-CG2 3.42Å; D1606-T1610 PolarHBondContact O-N 2.78Å; D1606-T1610 PolarHBondContact O-OG1 3.41Å; D1606-T1610 VanDerWaalsContact O-OG1 3.05Å |
| 1607 | D | 58.2 | Low | 59.1 | Low | 129 Ų | 129 | 88.4 Ų | 88.4 | 69% | 0.69 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.7 | -34.2 | 175.2 | -76.6 | -12.6 | 0 | 0 | 0 | 112.7 | Y1605 T1610 N1611 | Y1605-D1607 PolarHBondContact O-N 3.18Å; D1607-T1610 WeakPolarHBondContact CA-OG1 3.19Å; D1607-T1610 PolarHBondContact O-OG1 3.21Å; D1607-N1611 WeakPolarHBondContact O-CB 3.41Å; D1607-N1611 PolarHBondContact O-N 2.91Å; D1607-N1611 VanDerWaalsContact O-N 3.14Å; D1607-N1611 PolarHBondContact O-ND2 3.18Å |
| 1608 | L | 57.4 | Low | 59.5 | Low | 17 Ų | 17 | 87.3 Ų | 87.3 | 9% | 0.089 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.2 | -41.4 | 178.7 | -139.2 | 161.5 | 0 | 0 | 0 | 109.7 | I1562 F1588 Y1605 D1606 N1611 L1612 | I1562-L1608 HydrophobicContact CD1-CD1 3.61Å; I1562-L1608 HydrophobicContact CG1-CD1 3.61Å; I1562-L1608 HydrophobicContact CG1-CG 4.15Å; F1588-L1608 HydrophobicContact CE1-CD2 4.21Å; F1588-L1608 HydrophobicContact CZ-CD2 4.45Å; Y1605-L1608 HydrophobicContact CD1-CD1 4.18Å; Y1605-L1608 WeakPolarHBondContact O-CB 3.21Å; Y1605-L1608 PolarHBondContact O-N 3.47Å; D1606-L1608 VanDerWaalsContact C-N 3.3Å; D1606-L1608 PolarHBondContact O-N 3.29Å; L1608-N1611 PolarHBondContact O-N 3.25Å; L1608-L1612 WeakPolarHBondContact O-CB 3.46Å; L1608-L1612 PolarHBondContact O-N 3.46Å |
| 1609 | Y | 64.4 | Low | 60.4 | Low | 42 Ų | 42 | 82.3 Ų | 82.3 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 175 | -175.2 | -96.5 | 0 | 0 | 0 | 111.7 | W1592 Y1605 D1606 L1612 L1613 I1636 | W1592-Y1609 AromaticContact CH2-CD2 3.53Å; W1592-Y1609 HydrophobicContact CH2-CD2 3.53Å; W1592-Y1609 HydrophobicContact CH2-CE2 4.23Å; W1592-Y1609 HydrophobicContact CH2-CG 4.47Å; W1592-Y1609 AromaticContact CZ3-CD2 3.66Å; W1592-Y1609 HydrophobicContact CZ3-CD2 3.66Å; W1592-Y1609 HydrophobicContact CZ3-CE2 4.06Å; Y1605-Y1609 PolarHBondContact O-N 2.98Å; D1606-Y1609 PolarHBondContact O-N 3.01Å; Y1609-L1612 PolarHBondContact O-N 3.19Å; Y1609-L1613 HydrophobicContact CD1-CD1 4.16Å; Y1609-L1613 HydrophobicContact CE1-CD1 3.44Å; Y1609-L1613 VanDerWaalsContact CE1-CD1 3.44Å; Y1609-L1613 VanDerWaalsContact O-CB 3.3Å; Y1609-L1613 WeakPolarHBondContact O-CB 3.49Å; Y1609-L1613 PolarHBondContact O-N 3.27Å; Y1609-I1636 HydrophobicContact CE2-CG2 3.78Å; Y1609-I1636 WeakPolarHBondContact OH-CG2 3.3Å; Y1609-I1636 PolarHBondContact OH-O 3.41Å |
| 1610 | T | 68.5 | Low | 61.3 | Low | 76 Ų | 76 | 76.1 Ų | 76.1 | 47% | 0.466 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.5 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | D1606 D1607 L1612 L1613 L1614 | D1606-T1610 WeakPolarHBondContact O-CG2 3.42Å; D1606-T1610 PolarHBondContact O-N 2.78Å; D1606-T1610 PolarHBondContact O-OG1 3.41Å; D1606-T1610 VanDerWaalsContact O-OG1 3.05Å; D1607-T1610 WeakPolarHBondContact CA-OG1 3.19Å; D1607-T1610 PolarHBondContact O-OG1 3.21Å; T1610-L1612 PolarHBondContact O-N 2.89Å; T1610-L1613 PolarHBondContact O-N 3.16Å; T1610-L1614 WeakPolarHBondContact O-CB 3.4Å; T1610-L1614 PolarHBondContact O-N 3.44Å |
| 1611 | N | 63.6 | Low | 62.3 | Low | 56 Ų | 56 | 73.7 Ų | 73.7 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.4 | -80.1 | -49.9 | 0 | 0 | 0 | 112.7 | D1607 L1608 L1614 N1615 | D1607-N1611 WeakPolarHBondContact O-CB 3.41Å; D1607-N1611 PolarHBondContact O-N 2.91Å; D1607-N1611 VanDerWaalsContact O-N 3.14Å; D1607-N1611 PolarHBondContact O-ND2 3.18Å; L1608-N1611 PolarHBondContact O-N 3.25Å; N1611-L1614 PolarHBondContact O-N 3.05Å; N1611-N1615 WeakPolarHBondContact O-CB 3.5Å; N1611-N1615 PolarHBondContact O-N 2.9Å; N1611-N1615 PolarHBondContact O-ND2 2.99Å |
| 1612 | L | 66.4 | Low | 62.8 | Low | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 179 | -169.3 | 139.6 | 0 | 0 | 0 | 111.4 | F1588 L1608 Y1609 T1610 N1615 L1616 I1636 | F1588-L1612 HydrophobicContact CD1-CD1 3.39Å; F1588-L1612 HydrophobicContact CE1-CD1 3.36Å; L1608-L1612 WeakPolarHBondContact O-CB 3.46Å; L1608-L1612 PolarHBondContact O-N 3.46Å; Y1609-L1612 PolarHBondContact O-N 3.19Å; T1610-L1612 PolarHBondContact O-N 2.89Å; L1612-N1615 PolarHBondContact O-N 3.19Å; L1612-L1616 HydrophobicContact CD2-CD1 3.61Å; L1612-L1616 HydrophobicContact CD2-CG 4.35Å; L1612-L1616 WeakPolarHBondContact O-CB 3.27Å; L1612-L1616 WeakPolarHBondContact O-CG 3.24Å; L1612-L1616 PolarHBondContact O-N 3.5Å; L1612-I1636 HydrophobicContact CD2-CD1 4.04Å |
| 1613 | L | 73.7 | Confident | 64.2 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.8 | -147.6 | 154 | 0 | 0 | 0 | 111.6 | Y1609 T1610 R1617 I1636 | Y1609-L1613 HydrophobicContact CD1-CD1 4.16Å; Y1609-L1613 HydrophobicContact CE1-CD1 3.44Å; Y1609-L1613 VanDerWaalsContact CE1-CD1 3.44Å; Y1609-L1613 VanDerWaalsContact O-CB 3.3Å; Y1609-L1613 WeakPolarHBondContact O-CB 3.49Å; Y1609-L1613 PolarHBondContact O-N 3.27Å; T1610-L1613 PolarHBondContact O-N 3.16Å; L1613-R1617 HydrophobicContact CD2-CG 4.35Å; L1613-R1617 WeakPolarHBondContact O-CB 3.47Å; L1613-R1617 WeakPolarHBondContact O-CG 3.48Å; L1613-R1617 PolarHBondContact O-N 3.49Å; L1613-I1636 HydrophobicContact CD1-CG2 3.57Å; L1613-I1636 HydrophobicContact CG-CG2 4.12Å |
| 1614 | L | 72.3 | Confident | 65 | Low | 105 Ų | 105 | 71.6 Ų | 71.6 | 55% | 0.55 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 177.6 | -148.3 | 144.5 | 0 | 0 | 0 | 111.7 | T1610 N1611 R1618 | T1610-L1614 WeakPolarHBondContact O-CB 3.4Å; T1610-L1614 PolarHBondContact O-N 3.44Å; N1611-L1614 PolarHBondContact O-N 3.05Å; L1614-R1618 PolarHBondContact O-N 2.79Å; L1614-R1618 VanDerWaalsContact O-N 3.12Å |
| 1615 | N | 64.5 | Low | 65.5 | Low | 29 Ų | 29 | 71.1 Ų | 71.1 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.3 | -38.8 | 177.1 | -74.5 | -33.6 | 0 | 0 | 0 | 113.2 | L1585 N1611 L1612 R1618 A1619 | L1585-N1615 HydrophobicContact CD1-CB 4.09Å; L1585-N1615 HydrophobicContact CD2-CB 4.39Å; N1611-N1615 WeakPolarHBondContact O-CB 3.5Å; N1611-N1615 PolarHBondContact O-N 2.9Å; N1611-N1615 PolarHBondContact O-ND2 2.99Å; L1612-N1615 PolarHBondContact O-N 3.19Å; N1615-R1618 PolarHBondContact O-N 3.3Å; N1615-A1619 WeakPolarHBondContact O-CB 3.48Å; N1615-A1619 PolarHBondContact O-N 3.05Å |
| 1616 | L | 74 | Confident | 65.9 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 172.1 | -77.1 | 175 | 0 | 0 | 0 | 111.6 | L1585 V1586 L1612 R1618 A1619 A1620 I1629 L1633 I1636 | L1585-L1616 HydrophobicContact CB-CD2 4.27Å; V1586-L1616 HydrophobicContact CG2-CD2 4.37Å; L1612-L1616 HydrophobicContact CD2-CD1 3.61Å; L1612-L1616 HydrophobicContact CD2-CG 4.35Å; L1612-L1616 WeakPolarHBondContact O-CB 3.27Å; L1612-L1616 WeakPolarHBondContact O-CG 3.24Å; L1612-L1616 PolarHBondContact O-N 3.5Å; L1616-R1618 VanDerWaalsContact C-N 3.34Å; L1616-R1618 PolarHBondContact O-N 3.47Å; L1616-A1619 PolarHBondContact O-N 3.37Å; L1616-A1620 WeakPolarHBondContact O-CB 3.43Å; L1616-A1620 PolarHBondContact O-N 3.49Å; L1616-I1629 HydrophobicContact CD2-CG2 4.31Å; L1616-I1629 WeakPolarHBondContact O-CG2 3.45Å; L1616-L1633 HydrophobicContact CB-CD2 3.75Å; L1616-L1633 HydrophobicContact CB-CG 4.06Å; L1616-I1636 HydrophobicContact CD1-CD1 3.46Å; L1616-I1636 VanDerWaalsContact CD1-CD1 3.46Å |
| 1617 | R | 74.2 | Confident | 65.9 | Low | 164 Ų | 164 | 69.4 Ų | 69.4 | 62% | 0.619 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.9 | -46.2 | 173.1 | -83.9 | -178.8 | 168.9 | -179.2 | -2.9 | 111.5 | L1613 A1620 V1621 L1633 | L1613-R1617 HydrophobicContact CD2-CG 4.35Å; L1613-R1617 WeakPolarHBondContact O-CB 3.47Å; L1613-R1617 WeakPolarHBondContact O-CG 3.48Å; L1613-R1617 PolarHBondContact O-N 3.49Å; R1617-A1620 WeakPolarHBondContact O-CB 3.33Å; R1617-A1620 PolarHBondContact O-N 3.46Å; R1617-V1621 WeakPolarHBondContact O-CG2 3.14Å; R1617-V1621 PolarHBondContact O-N 2.86Å; R1617-L1633 HydrophobicContact CG-CD1 4.44Å; R1617-L1633 HydrophobicContact CG-CD2 3.91Å |
| 1618 | R | 64.8 | Low | 66.4 | Low | 123 Ų | 123 | 67.5 Ų | 67.5 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.9 | -83 | 179.1 | 139.4 | -162.8 | -8.9 | 113 | L1614 N1615 L1616 A1620 V1621 L1622 | L1614-R1618 PolarHBondContact O-N 2.79Å; L1614-R1618 VanDerWaalsContact O-N 3.12Å; N1615-R1618 PolarHBondContact O-N 3.3Å; L1616-R1618 VanDerWaalsContact C-N 3.34Å; L1616-R1618 PolarHBondContact O-N 3.47Å; R1618-A1620 PolarHBondContact O-N 3.46Å; R1618-V1621 PolarHBondContact O-N 3.49Å; R1618-V1621 VanDerWaalsContact O-N 3.1Å; R1618-L1622 WeakPolarHBondContact O-CB 3.35Å; R1618-L1622 WeakPolarHBondContact O-CG 3.46Å; R1618-L1622 PolarHBondContact O-N 3.21Å |
| 1619 | A | 68.1 | Low | 67.1 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -35.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1582 L1585 N1615 L1616 L1622 F1623 I1629 | A1582-A1619 HydrophobicContact CB-CB 4.38Å; L1585-A1619 HydrophobicContact CD1-CB 4.42Å; N1615-A1619 WeakPolarHBondContact O-CB 3.48Å; N1615-A1619 PolarHBondContact O-N 3.05Å; L1616-A1619 PolarHBondContact O-N 3.37Å; A1619-L1622 PolarHBondContact O-N 3.22Å; A1619-F1623 CarbonylContact O-C 3.58Å; A1619-F1623 WeakPolarHBondContact O-CA 3.4Å; A1619-F1623 WeakPolarHBondContact O-CB 3.4Å; A1619-F1623 PolarHBondContact O-N 3.07Å; A1619-I1629 HydrophobicContact CB-CD1 3.83Å; A1619-I1629 HydrophobicContact CB-CG2 4.41Å; A1619-I1629 WeakPolarHBondContact O-CD1 3.38Å |
| 1620 | A | 70.7 | Confident | 67.4 | Low | 17 Ų | 17 | 69.8 Ų | 69.8 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1616 R1617 R1618 P1624 I1629 L1633 | L1616-A1620 WeakPolarHBondContact O-CB 3.43Å; L1616-A1620 PolarHBondContact O-N 3.49Å; R1617-A1620 WeakPolarHBondContact O-CB 3.33Å; R1617-A1620 PolarHBondContact O-N 3.46Å; R1618-A1620 PolarHBondContact O-N 3.46Å; A1620-P1624 WeakPolarHBondContact O-CA 3.27Å; A1620-I1629 HydrophobicContact CB-CB 4.49Å; A1620-I1629 HydrophobicContact CB-CG2 3.67Å; A1620-L1633 HydrophobicContact CB-CD1 3.62Å |
| 1621 | V | 69.5 | Low | 67.5 | Low | 120 Ų | 120 | 68.4 Ų | 68.4 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.5 | -41.6 | 175 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | R1617 R1618 | R1617-V1621 WeakPolarHBondContact O-CG2 3.14Å; R1617-V1621 PolarHBondContact O-N 2.86Å; R1618-V1621 PolarHBondContact O-N 3.49Å; R1618-V1621 VanDerWaalsContact O-N 3.1Å |
| 1622 | L | 63.4 | Low | 67.8 | Low | 106 Ų | 106 | 66.1 Ų | 66.1 | 56% | 0.555 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -83.6 | -33.3 | -174.8 | -68.6 | 171.6 | 0 | 0 | 0 | 113.4 | M1577 R1618 A1619 P1624 | M1577-L1622 HydrophobicContact CB-CD1 4.15Å; M1577-L1622 HydrophobicContact CG-CD1 4.41Å; R1618-L1622 WeakPolarHBondContact O-CB 3.35Å; R1618-L1622 WeakPolarHBondContact O-CG 3.46Å; R1618-L1622 PolarHBondContact O-N 3.21Å; A1619-L1622 PolarHBondContact O-N 3.22Å; L1622-P1624 VanDerWaalsContact C-CD 3.46Å |
| 1623 | F | 68.7 | Low | 68.2 | Low | 54 Ų | 54 | 67 Ų | 67 | 24% | 0.237 | 35% | 0.354 | C | S | . | . | trans | -129.3 | 66.7 | -179.8 | -58.6 | -75.5 | 0 | 0 | 0 | 110.4 | M1577 A1582 A1619 D1625 T1626 I1629 | M1577-F1623 HydrophobicContact CB-CE2 4.14Å; M1577-F1623 WeakPolarHBondContact O-CE2 3.47Å; M1577-F1623 WeakPolarHBondContact O-CZ 3.22Å; A1582-F1623 HydrophobicContact CB-CD2 3.81Å; A1582-F1623 HydrophobicContact CB-CE2 4.35Å; A1582-F1623 HydrophobicContact CB-CG 4.39Å; A1619-F1623 CarbonylContact O-C 3.58Å; A1619-F1623 WeakPolarHBondContact O-CA 3.4Å; A1619-F1623 WeakPolarHBondContact O-CB 3.4Å; A1619-F1623 PolarHBondContact O-N 3.07Å; F1623-D1625 PolarHBondContact O-N 3.46Å; F1623-D1625 VanDerWaalsContact O-N 3.16Å; F1623-T1626 WeakPolarHBondContact CB-OG1 3.25Å; F1623-T1626 PolarHBondContact O-N 2.83Å; F1623-T1626 PolarHBondContact O-OG1 3.39Å; F1623-I1629 HydrophobicContact CB-CD1 4.37Å | ||
| 1624 | P | 60.9 | Low | 67.9 | Low | 77 Ų | 77 | 71.1 Ų | 71.1 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.2 | -179.8 | 24.7 | -33.7 | 0 | 0 | 0 | 112.5 | A1620 L1622 T1626 | A1620-P1624 WeakPolarHBondContact O-CA 3.27Å; L1622-P1624 VanDerWaalsContact C-CD 3.46Å; P1624-T1626 PolarHBondContact O-N 3.49Å |
| 1625 | D | 59.1 | Low | 67.7 | Low | 152 Ų | 152 | 70.3 Ų | 70.3 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8 | -178.1 | -59.4 | -27.6 | 0 | 0 | 0 | 114.3 | F1623 P1627 | F1623-D1625 PolarHBondContact O-N 3.46Å; F1623-D1625 VanDerWaalsContact O-N 3.16Å; D1625-P1627 VanDerWaalsContact O-CD 3.23Å; D1625-P1627 WeakPolarHBondContact O-CD 3.35Å |
| 1626 | T | 65.5 | Low | 67.8 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.172 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -73.2 | 112.1 | 178.3 | 0.9 | 0 | 0 | 0 | 0 | 109.9 | F1623 P1624 N1628 I1629 | F1623-T1626 WeakPolarHBondContact CB-OG1 3.25Å; F1623-T1626 PolarHBondContact O-N 2.83Å; F1623-T1626 PolarHBondContact O-OG1 3.39Å; P1624-T1626 PolarHBondContact O-N 3.49Å; T1626-N1628 PolarHBondContact O-N 3.45Å; T1626-I1629 PolarHBondContact O-N 3.05Å; T1626-I1629 WeakPolarHBondContact OG1-CD1 3.31Å |
| 1627 | P | 55.6 | Low | 67.4 | Low | 117 Ų | 117 | 72.5 Ų | 72.5 | 76% | 0.76 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 3 | -157.2 | 23.8 | -33.6 | 0 | 0 | 0 | 116.6 | D1625 | D1625-P1627 VanDerWaalsContact O-CD 3.23Å; D1625-P1627 WeakPolarHBondContact O-CD 3.35Å |
| 1628 | N | 68.8 | Low | 66.6 | Low | 89 Ų | 89 | 72 Ų | 72 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -6.1 | -176.7 | -74.2 | -19.2 | 0 | 0 | 0 | 114.6 | V1586 T1626 S1631 T1632 | V1586-N1628 HydrophobicContact CG1-CB 3.45Å; V1586-N1628 VanDerWaalsContact CG1-CB 3.45Å; V1586-N1628 HydrophobicContact CG2-CB 4.48Å; T1626-N1628 PolarHBondContact O-N 3.45Å; N1628-S1631 WeakPolarHBondContact CA-OG 3.49Å; N1628-S1631 PolarHBondContact O-OG 2.86Å; N1628-S1631 VanDerWaalsContact O-OG 3.07Å; N1628-T1632 WeakPolarHBondContact O-CB 3.25Å; N1628-T1632 WeakPolarHBondContact O-CG2 3.49Å; N1628-T1632 PolarHBondContact O-N 3.22Å; N1628-T1632 PolarHBondContact O-OG1 3.24Å |
| 1629 | I | 72.2 | Confident | 66.2 | Low | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.4 | -46.4 | -176.7 | -54.3 | 175.3 | 0 | 0 | 0 | 110.8 | A1582 V1586 L1616 A1619 A1620 F1623 T1626 S1631 T1632 L1633 | A1582-I1629 HydrophobicContact CB-CD1 4.21Å; V1586-I1629 HydrophobicContact CG2-CB 4.28Å; V1586-I1629 HydrophobicContact CG2-CG1 3.46Å; V1586-I1629 VanDerWaalsContact CG2-CG1 3.46Å; L1616-I1629 HydrophobicContact CD2-CG2 4.31Å; L1616-I1629 WeakPolarHBondContact O-CG2 3.45Å; A1619-I1629 HydrophobicContact CB-CD1 3.83Å; A1619-I1629 HydrophobicContact CB-CG2 4.41Å; A1619-I1629 WeakPolarHBondContact O-CD1 3.38Å; A1620-I1629 HydrophobicContact CB-CB 4.49Å; A1620-I1629 HydrophobicContact CB-CG2 3.67Å; F1623-I1629 HydrophobicContact CB-CD1 4.37Å; T1626-I1629 PolarHBondContact O-N 3.05Å; T1626-I1629 WeakPolarHBondContact OG1-CD1 3.31Å; I1629-S1631 PolarHBondContact O-N 2.98Å; I1629-T1632 WeakPolarHBondContact CA-OG1 3.13Å; I1629-T1632 PolarHBondContact O-N 3.48Å; I1629-T1632 PolarHBondContact O-OG1 3.05Å; I1629-L1633 HydrophobicContact CG2-CD1 4.1Å; I1629-L1633 WeakPolarHBondContact O-CB 3.43Å; I1629-L1633 WeakPolarHBondContact O-CG 3.27Å; I1629-L1633 PolarHBondContact O-N 3.41Å |
| 1630 | L | 71.5 | Confident | 65.1 | Low | 106 Ų | 106 | 81.7 Ų | 81.7 | 56% | 0.555 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.2 | -38.4 | 178.9 | -82.2 | 162.1 | 0 | 0 | 0 | 112 | L1633 Q1634 | L1630-L1633 PolarHBondContact O-N 2.83Å; L1630-Q1634 WeakPolarHBondContact O-CB 3.33Å; L1630-Q1634 WeakPolarHBondContact O-CG 3.46Å; L1630-Q1634 PolarHBondContact O-N 3.44Å |
| 1631 | S | 69.6 | Low | 64.8 | Low | 46 Ų | 46 | 85 Ų | 85 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 177.4 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | N1628 I1629 Q1634 L1635 | N1628-S1631 WeakPolarHBondContact CA-OG 3.49Å; N1628-S1631 PolarHBondContact O-OG 2.86Å; N1628-S1631 VanDerWaalsContact O-OG 3.07Å; I1629-S1631 PolarHBondContact O-N 2.98Å; S1631-Q1634 PolarHBondContact O-N 3.06Å; S1631-L1635 WeakPolarHBondContact O-CB 3.49Å; S1631-L1635 PolarHBondContact O-N 3.01Å |
| 1632 | T | 70.9 | Confident | 64.6 | Low | 8 Ų | 8 | 83.1 Ų | 83.1 | 5% | 0.049 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 172.7 | 44 | 0 | 0 | 0 | 0 | 111.7 | V1586 N1628 I1629 L1635 I1636 | V1586-T1632 HydrophobicContact CG1-CG2 4.24Å; N1628-T1632 WeakPolarHBondContact O-CB 3.25Å; N1628-T1632 WeakPolarHBondContact O-CG2 3.49Å; N1628-T1632 PolarHBondContact O-N 3.22Å; N1628-T1632 PolarHBondContact O-OG1 3.24Å; I1629-T1632 WeakPolarHBondContact CA-OG1 3.13Å; I1629-T1632 PolarHBondContact O-N 3.48Å; I1629-T1632 PolarHBondContact O-OG1 3.05Å; T1632-L1635 PolarHBondContact O-N 3.49Å; T1632-I1636 WeakPolarHBondContact O-CB 3.47Å; T1632-I1636 WeakPolarHBondContact O-CD1 3.48Å; T1632-I1636 WeakPolarHBondContact O-CG1 3.39Å; T1632-I1636 PolarHBondContact O-N 2.97Å |
| 1633 | L | 73.7 | Confident | 64.6 | Low | 28 Ų | 28 | 81.8 Ų | 81.8 | 15% | 0.147 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 172.1 | -79.7 | 168.8 | 0 | 0 | 0 | 112.5 | L1616 R1617 A1620 I1629 L1630 I1636 S1637 | L1616-L1633 HydrophobicContact CB-CD2 3.75Å; L1616-L1633 HydrophobicContact CB-CG 4.06Å; R1617-L1633 HydrophobicContact CG-CD1 4.44Å; R1617-L1633 HydrophobicContact CG-CD2 3.91Å; A1620-L1633 HydrophobicContact CB-CD1 3.62Å; I1629-L1633 HydrophobicContact CG2-CD1 4.1Å; I1629-L1633 WeakPolarHBondContact O-CB 3.43Å; I1629-L1633 WeakPolarHBondContact O-CG 3.27Å; I1629-L1633 PolarHBondContact O-N 3.41Å; L1630-L1633 PolarHBondContact O-N 2.83Å; L1633-I1636 PolarHBondContact O-N 3.03Å; L1633-S1637 WeakPolarHBondContact O-CB 3.46Å; L1633-S1637 PolarHBondContact O-N 3.06Å; L1633-S1637 PolarHBondContact O-OG 3.27Å |
| 1634 | Q | 68.9 | Low | 64.4 | Low | 123 Ų | 123 | 83.5 Ų | 83.5 | 58% | 0.575 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.4 | -47.4 | 175.1 | -81.9 | 178.4 | -24.9 | 0 | 0 | 111.6 | L1630 S1631 I1636 S1637 E1638 | L1630-Q1634 WeakPolarHBondContact O-CB 3.33Å; L1630-Q1634 WeakPolarHBondContact O-CG 3.46Å; L1630-Q1634 PolarHBondContact O-N 3.44Å; S1631-Q1634 PolarHBondContact O-N 3.06Å; Q1634-I1636 VanDerWaalsContact C-N 3.29Å; Q1634-I1636 PolarHBondContact O-N 3.29Å; Q1634-S1637 WeakPolarHBondContact CA-OG 3.3Å; Q1634-S1637 CarbonylContact O-C 3.04Å; Q1634-S1637 WeakPolarHBondContact O-CA 3.32Å; Q1634-S1637 PolarHBondContact O-N 2.83Å; Q1634-S1637 PolarHBondContact O-OG 2.88Å; Q1634-E1638 PolarHBondContact O-N 3.38Å |
| 1635 | L | 67.8 | Low | 64.6 | Low | 87 Ų | 87 | 83.9 Ų | 83.9 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 175.7 | -87.2 | 162.3 | 0 | 0 | 0 | 113.1 | L1593 S1631 T1632 S1637 | L1593-L1635 HydrophobicContact CD1-CB 4.43Å; S1631-L1635 WeakPolarHBondContact O-CB 3.49Å; S1631-L1635 PolarHBondContact O-N 3.01Å; T1632-L1635 PolarHBondContact O-N 3.49Å; L1635-S1637 VanDerWaalsContact C-N 3.34Å |
| 1636 | I | 66.5 | Low | 65 | Low | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 175.3 | -68.4 | 167.2 | 0 | 0 | 0 | 110.4 | L1593 Y1609 L1612 L1613 L1616 T1632 L1633 Q1634 | L1593-I1636 HydrophobicContact CD1-CD1 4.4Å; L1593-I1636 HydrophobicContact CD1-CG1 3.81Å; L1593-I1636 HydrophobicContact CD2-CG1 4.08Å; L1593-I1636 HydrophobicContact CG-CG1 4.33Å; Y1609-I1636 HydrophobicContact CE2-CG2 3.78Å; Y1609-I1636 WeakPolarHBondContact OH-CG2 3.3Å; Y1609-I1636 PolarHBondContact OH-O 3.41Å; L1612-I1636 HydrophobicContact CD2-CD1 4.04Å; L1613-I1636 HydrophobicContact CD1-CG2 3.57Å; L1613-I1636 HydrophobicContact CG-CG2 4.12Å; L1616-I1636 HydrophobicContact CD1-CD1 3.46Å; L1616-I1636 VanDerWaalsContact CD1-CD1 3.46Å; T1632-I1636 WeakPolarHBondContact O-CB 3.47Å; T1632-I1636 WeakPolarHBondContact O-CD1 3.48Å; T1632-I1636 WeakPolarHBondContact O-CG1 3.39Å; T1632-I1636 PolarHBondContact O-N 2.97Å; L1633-I1636 PolarHBondContact O-N 3.03Å; Q1634-I1636 VanDerWaalsContact C-N 3.29Å; Q1634-I1636 PolarHBondContact O-N 3.29Å |
| 1637 | S | 65.3 | Low | 64.9 | Low | 72 Ų | 72 | 83 Ų | 83 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75 | -36.8 | 179.4 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | L1633 Q1634 L1635 K1639 K1640 | L1633-S1637 WeakPolarHBondContact O-CB 3.46Å; L1633-S1637 PolarHBondContact O-N 3.06Å; L1633-S1637 PolarHBondContact O-OG 3.27Å; Q1634-S1637 WeakPolarHBondContact CA-OG 3.3Å; Q1634-S1637 CarbonylContact O-C 3.04Å; Q1634-S1637 WeakPolarHBondContact O-CA 3.32Å; Q1634-S1637 PolarHBondContact O-N 2.83Å; Q1634-S1637 PolarHBondContact O-OG 2.88Å; L1635-S1637 VanDerWaalsContact C-N 3.34Å; S1637-K1639 VanDerWaalsContact C-N 3.32Å; S1637-K1639 PolarHBondContact O-N 3.02Å; S1637-K1640 PolarHBondContact O-N 3.03Å |
| 1638 | E | 57.1 | Low | 65.6 | Low | 153 Ų | 153 | 80.4 Ų | 80.4 | 72% | 0.715 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72.4 | -23.1 | 179 | -75.1 | -178.9 | 168 | 0 | 0 | 113.4 | Q1634 K1640 | Q1634-E1638 PolarHBondContact O-N 3.38Å; E1638-K1640 VanDerWaalsContact C-N 3.3Å |
| 1639 | K | 56.8 | Low | 65.4 | Low | 111 Ų | 111 | 79.7 Ų | 79.7 | 48% | 0.483 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.9 | 176.8 | -88.2 | -168 | 177.5 | -176.1 | 0 | 113.8 | L1593 S1637 | L1593-K1639 HydrophobicContact CD2-CD 4.24Å; L1593-K1639 PolarHBondContact O-NZ 3.07Å; S1637-K1639 VanDerWaalsContact C-N 3.32Å; S1637-K1639 PolarHBondContact O-N 3.02Å |
| 1640 | K | 44.4 | Very low | 64.8 | Low | 216 Ų | 216 | 86.7 Ų | 86.7 | 94% | 0.939 | 43% | 0.433 | S | S | * | . | trans | -88.9 | 0 | 168.4 | -103.3 | -168.7 | 173.8 | -170.7 | 0 | 109 | S1637 E1638 | S1637-K1640 PolarHBondContact O-N 3.03Å; E1638-K1640 VanDerWaalsContact C-N 3.3Å |
Retrieved 1,640 of 1,640 residues in 375.1 ms
(Link to these results)