| 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 | 39.7 | Very low | 70.9 | Confident | 215 Ų | 215 | 59.7 Ų | 59.7 | 100% | 1.059 | 34% | 0.342 | S | S | * | . | 0 | 131.9 | 0 | -75.7 | -178.7 | -97.9 | 0 | 0 | 108.7 | G3 | M1-G3 PolarHBondContact O-N 2.67Š| |||
| 2 | A | 48.7 | Very low | 72 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | trans | -69.7 | 114.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | G | 62.4 | Low | 73.1 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 9% | 0.093 | 39% | 0.385 | C | S | . | . | trans | -69.9 | 160.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | M1 E7 N8 S495 | M1-G3 PolarHBondContact O-N 2.67Å; G3-E7 WeakPolarHBondContact CA-OE2 3.31Å; G3-N8 PolarHBondContact O-ND2 3.35Å; G3-S495 WeakPolarHBondContact O-CB 3.1Å; G3-S495 PolarHBondContact O-N 2.93Å | ||
| 4 | A | 77.4 | Confident | 73.8 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 161.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I6 E7 N8 A493 | A4-I6 VanDerWaalsContact C-N 3.26Å; A4-I6 HydrophobicContact CB-CG2 3.93Å; A4-I6 PolarHBondContact O-N 3.11Å; A4-E7 HydrophobicContact CB-CG 4.32Å; A4-E7 PolarHBondContact N-OE2 3.15Å; A4-E7 WeakPolarHBondContact O-CB 3.39Å; A4-E7 PolarHBondContact O-N 3.23Å; A4-N8 PolarHBondContact O-N 3.48Å; A4-N8 PolarHBondContact O-ND2 3.39Å; A4-A493 CarbonylContact C-O 3.55Å; A4-A493 WeakPolarHBondContact CA-O 3.41Å |
| 5 | I | 82.9 | Confident | 74.6 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 178.5 | -77.5 | 180 | 0 | 0 | 0 | 111.1 | E7 N8 M9 W251 F490 L491 A493 | I5-E7 PolarHBondContact O-N 3.42Å; I5-N8 PolarHBondContact O-N 3.21Å; I5-M9 HydrophobicContact CG2-CE 3.25Å; I5-M9 WeakPolarHBondContact O-CB 3.32Å; I5-M9 PolarHBondContact O-N 2.55Å; I5-W251 HydrophobicContact CD1-CH2 3.62Å; I5-W251 HydrophobicContact CD1-CZ2 4.2Å; I5-F490 HydrophobicContact CG2-CE1 4.45Å; I5-L491 PolarHBondContact N-O 3Å; I5-A493 HydrophobicContact CD1-CB 3.92Å; I5-A493 HydrophobicContact CG1-CB 4.47Å; I5-A493 WeakPolarHBondContact CG1-O 3.43Å; I5-A493 PolarHBondContact N-O 2.83Å |
| 6 | I | 80.4 | Confident | 75.5 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 6% | 0.056 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58 | -27.7 | 176.1 | -168.9 | 165.8 | 0 | 0 | 0 | 113.6 | A4 Q431 I435 L491 | A4-I6 VanDerWaalsContact C-N 3.26Å; A4-I6 HydrophobicContact CB-CG2 3.93Å; A4-I6 PolarHBondContact O-N 3.11Å; I6-Q431 HydrophobicContact CD1-CG 4.21Å; I6-Q431 HydrophobicContact CG1-CG 4.39Å; I6-Q431 HydrophobicContact CG2-CG 4.22Å; I6-I435 HydrophobicContact CD1-CD1 3.36Å; I6-I435 HydrophobicContact CD1-CG1 4.26Å; I6-L491 HydrophobicContact CB-CB 4.13Å; I6-L491 HydrophobicContact CB-CD2 4.3Å; I6-L491 WeakPolarHBondContact CB-O 3.44Å; I6-L491 HydrophobicContact CD1-CB 4.34Å; I6-L491 HydrophobicContact CD1-CD1 4.38Å; I6-L491 HydrophobicContact CG1-CD2 4.44Å; I6-L491 WeakPolarHBondContact CG2-O 3.42Å; I6-L491 PolarHBondContact N-O 3.31Å |
| 7 | E | 72.6 | Confident | 76.3 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77.9 | -25.4 | 178.1 | -65 | -179.5 | 177.6 | 0 | 0 | 113.2 | G3 A4 I5 Q431 | G3-E7 WeakPolarHBondContact CA-OE2 3.31Å; A4-E7 HydrophobicContact CB-CG 4.32Å; A4-E7 PolarHBondContact N-OE2 3.15Å; A4-E7 WeakPolarHBondContact O-CB 3.39Å; A4-E7 PolarHBondContact O-N 3.23Å; I5-E7 PolarHBondContact O-N 3.42Å; E7-Q431 PolarHBondContact OE1-NE2 3.46Å |
| 8 | N | 74.6 | Confident | 76.8 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -108.1 | -2.7 | -171.4 | -64.2 | -58.8 | 0 | 0 | 0 | 112.6 | G3 A4 I5 S495 | G3-N8 PolarHBondContact O-ND2 3.35Å; A4-N8 PolarHBondContact O-N 3.48Å; A4-N8 PolarHBondContact O-ND2 3.39Å; I5-N8 PolarHBondContact O-N 3.21Å; N8-S495 WeakPolarHBondContact ND2-CB 3.42Å; N8-S495 PolarHBondContact ND2-OG 2.94Å |
| 9 | M | 79.1 | Confident | 77.5 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | trans | -86.1 | 134.5 | -177.7 | -164 | 176.6 | -50.4 | 0 | 0 | 110.7 | I5 K13 L14 F490 L491 | I5-M9 HydrophobicContact CG2-CE 3.25Å; I5-M9 WeakPolarHBondContact O-CB 3.32Å; I5-M9 PolarHBondContact O-N 2.55Å; M9-K13 HydrophobicContact CG-CB 3.46Å; M9-K13 VanDerWaalsContact CG-CB 3.46Å; M9-K13 HydrophobicContact CG-CD 4.35Å; M9-K13 HydrophobicContact SD-CB 3.84Å; M9-L14 HydrophobicContact SD-CB 4.29Å; M9-L14 HydrophobicContact SD-CD1 4.37Å; M9-F490 HydrophobicContact CE-CE1 3.81Å; M9-L491 HydrophobicContact CE-CD2 3.91Å | ||
| 10 | S | 82.5 | Confident | 78.2 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | trans | -72.3 | 153.9 | 172.4 | 63.8 | 0 | 0 | 0 | 0 | 111 | K12 K13 L14 | S10-K12 PolarHBondContact O-N 2.97Å; S10-K13 PolarHBondContact O-N 2.96Å; S10-L14 PolarHBondContact O-N 2.94Å | ||
| 11 | T | 79.8 | Confident | 78.9 | Confident | 104 Ų | 104 | 67 Ų | 67 | 64% | 0.638 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.9 | -40 | 176.8 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | K13 L14 V15 | T11-K13 PolarHBondContact O-N 3.03Å; T11-L14 PolarHBondContact O-N 3.4Å; T11-V15 WeakPolarHBondContact O-CG2 3.49Å; T11-V15 PolarHBondContact O-N 3.01Å |
| 12 | K | 83.8 | Confident | 81.3 | Confident | 166 Ų | 166 | 62.4 Ų | 62.4 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.2 | -46 | 175.3 | -68 | -174.1 | 179.2 | -177.1 | 0 | 112.4 | S10 V15 I16 | S10-K12 PolarHBondContact O-N 2.97Å; K12-V15 PolarHBondContact O-N 2.66Å; K12-I16 WeakPolarHBondContact O-CD1 3.44Å; K12-I16 VanDerWaalsContact O-CG1 3.25Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.05Å |
| 13 | K | 86.6 | Confident | 83.5 | Confident | 120 Ų | 120 | 65 Ų | 65 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 179.1 | -72.3 | -176.3 | 179 | -166.7 | 0 | 112 | M9 S10 T11 I16 L17 | M9-K13 HydrophobicContact CG-CB 3.46Å; M9-K13 VanDerWaalsContact CG-CB 3.46Å; M9-K13 HydrophobicContact CG-CD 4.35Å; M9-K13 HydrophobicContact SD-CB 3.84Å; S10-K13 PolarHBondContact O-N 2.96Å; T11-K13 PolarHBondContact O-N 3.03Å; K13-I16 PolarHBondContact O-N 3Å; K13-L17 PolarHBondContact O-N 3.36Å |
| 14 | L | 83.4 | Confident | 85 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.8 | -171.5 | 66.4 | 0 | 0 | 0 | 111.7 | M9 S10 T11 L17 G18 F430 F434 L491 | M9-L14 HydrophobicContact SD-CB 4.29Å; M9-L14 HydrophobicContact SD-CD1 4.37Å; S10-L14 PolarHBondContact O-N 2.94Å; T11-L14 PolarHBondContact O-N 3.4Å; L14-L17 PolarHBondContact O-N 3.38Å; L14-G18 PolarHBondContact O-N 2.68Å; L14-F430 HydrophobicContact CD2-CE1 4.07Å; L14-F430 HydrophobicContact CD2-CZ 3.92Å; L14-F434 HydrophobicContact CD1-CE1 3.87Å; L14-F434 HydrophobicContact CD1-CZ 3.95Å; L14-F434 HydrophobicContact CD2-CD2 4.41Å; L14-F434 HydrophobicContact CD2-CE1 4.05Å; L14-F434 HydrophobicContact CD2-CE2 3.9Å; L14-F434 HydrophobicContact CD2-CZ 3.7Å; L14-F434 HydrophobicContact CG-CE1 4.24Å; L14-F434 HydrophobicContact CG-CE2 4.43Å; L14-F434 HydrophobicContact CG-CZ 3.84Å; L14-L491 HydrophobicContact CD1-CD2 4.03Å |
| 15 | V | 84.8 | Confident | 85.7 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | T11 K12 L17 G18 V19 | T11-V15 WeakPolarHBondContact O-CG2 3.49Å; T11-V15 PolarHBondContact O-N 3.01Å; K12-V15 PolarHBondContact O-N 2.66Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 3.3Å; V15-G18 PolarHBondContact O-N 3.34Å; V15-V19 HydrophobicContact CG1-CG2 4.28Å; V15-V19 WeakPolarHBondContact O-CG2 3.41Å; V15-V19 PolarHBondContact O-N 3.41Å |
| 16 | I | 89.6 | Confident | 86.2 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 56% | 0.559 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.8 | -46.7 | 176.8 | -68.9 | 163.6 | 0 | 0 | 0 | 110.7 | K12 K13 V19 T20 | K12-I16 WeakPolarHBondContact O-CD1 3.44Å; K12-I16 VanDerWaalsContact O-CG1 3.25Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.05Å; K13-I16 PolarHBondContact O-N 3Å; I16-V19 PolarHBondContact O-N 2.94Å; I16-T20 WeakPolarHBondContact O-CB 3.03Å; I16-T20 PolarHBondContact O-N 3.24Å; I16-T20 PolarHBondContact O-OG1 2.88Å |
| 17 | L | 88.6 | Confident | 86.8 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 174.4 | -179.3 | 69.3 | 0 | 0 | 0 | 111.6 | K13 L14 V15 V19 T20 L21 F490 L491 | K13-L17 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 3.38Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 3.3Å; L17-V19 PolarHBondContact O-N 3.05Å; L17-T20 WeakPolarHBondContact O-CB 2.93Å; L17-T20 PolarHBondContact O-N 2.71Å; L17-T20 VanDerWaalsContact O-N 3.16Å; L17-L21 HydrophobicContact CD1-CD1 4.46Å; L17-L21 HydrophobicContact CD1-CG 4.45Å; L17-L21 HydrophobicContact CG-CD1 4.13Å; L17-L21 HydrophobicContact CG-CG 4.48Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 2.71Å; L17-F490 HydrophobicContact CD1-CD1 4.32Å; L17-F490 HydrophobicContact CD1-CE1 4.25Å; L17-F490 HydrophobicContact CD2-CD1 3.8Å; L17-F490 HydrophobicContact CD2-CE1 3.9Å; L17-L491 HydrophobicContact CD2-CD2 3.83Å; L17-L491 HydrophobicContact CD2-CG 4.25Å |
| 18 | G | 86.4 | Confident | 87.9 | Confident | 36 Ų | 36 | 71 Ų | 71 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L14 V15 T20 L21 L22 | L14-G18 PolarHBondContact O-N 2.68Å; V15-G18 PolarHBondContact O-N 3.34Å; G18-T20 VanDerWaalsContact C-N 3.3Å; G18-T20 PolarHBondContact O-N 2.92Å; G18-L21 PolarHBondContact O-N 3.39Å; G18-L22 WeakPolarHBondContact O-CB 3.49Å; G18-L22 PolarHBondContact O-N 3.38Å |
| 19 | V | 89.2 | Confident | 88.7 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | V15 I16 L17 L22 L23 | V15-V19 HydrophobicContact CG1-CG2 4.28Å; V15-V19 WeakPolarHBondContact O-CG2 3.41Å; V15-V19 PolarHBondContact O-N 3.41Å; I16-V19 PolarHBondContact O-N 2.94Å; L17-V19 PolarHBondContact O-N 3.05Å; V19-L22 PolarHBondContact O-N 3.24Å; V19-L23 HydrophobicContact CG1-CD1 4.28Å; V19-L23 HydrophobicContact CG1-CG 4.5Å; V19-L23 WeakPolarHBondContact O-CG 3.33Å; V19-L23 PolarHBondContact O-N 2.83Å |
| 20 | T | 92.6 | Very high | 89.3 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 36% | 0.362 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | I16 L17 G18 L22 L23 F24 | I16-T20 WeakPolarHBondContact O-CB 3.03Å; I16-T20 PolarHBondContact O-N 3.24Å; I16-T20 PolarHBondContact O-OG1 2.88Å; L17-T20 WeakPolarHBondContact O-CB 2.93Å; L17-T20 PolarHBondContact O-N 2.71Å; L17-T20 VanDerWaalsContact O-N 3.16Å; G18-T20 VanDerWaalsContact C-N 3.3Å; G18-T20 PolarHBondContact O-N 2.92Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 PolarHBondContact O-N 3.47Å; T20-L23 PolarHBondContact O-N 3.31Å; T20-F24 HydrophobicContact CG2-CD2 4.04Å; T20-F24 HydrophobicContact CG2-CE2 3.81Å; T20-F24 VanDerWaalsContact O-CD2 3.22Å; T20-F24 WeakPolarHBondContact O-CD2 3.29Å; T20-F24 PolarHBondContact O-N 2.87Å; T20-F24 VanDerWaalsContact O-N 3.09Å |
| 21 | L | 91.5 | Very high | 89.8 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.6 | -66 | 173.3 | 0 | 0 | 0 | 111.8 | L17 G18 F24 Q25 L483 F486 A487 | L17-L21 HydrophobicContact CD1-CD1 4.46Å; L17-L21 HydrophobicContact CD1-CG 4.45Å; L17-L21 HydrophobicContact CG-CD1 4.13Å; L17-L21 HydrophobicContact CG-CG 4.48Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 2.71Å; G18-L21 PolarHBondContact O-N 3.39Å; L21-F24 PolarHBondContact O-N 3.22Å; L21-Q25 WeakPolarHBondContact O-CB 3.4Å; L21-Q25 PolarHBondContact O-N 2.95Å; L21-L483 HydrophobicContact CD2-CB 4.36Å; L21-L483 HydrophobicContact CD2-CD2 3.8Å; L21-F486 HydrophobicContact CD2-CD1 4.28Å; L21-A487 HydrophobicContact CD1-CB 3.77Å |
| 22 | L | 90.3 | Very high | 90.3 | Very high | 119 Ų | 119 | 67.1 Ų | 67.1 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 176.4 | -169.2 | 154.7 | 0 | 0 | 0 | 111.8 | G18 V19 T20 Q25 A26 | G18-L22 WeakPolarHBondContact O-CB 3.49Å; G18-L22 PolarHBondContact O-N 3.38Å; V19-L22 PolarHBondContact O-N 3.24Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 PolarHBondContact O-N 3.47Å; L22-Q25 WeakPolarHBondContact O-CB 3.46Å; L22-Q25 PolarHBondContact O-N 3.24Å; L22-A26 PolarHBondContact O-N 3.18Å |
| 23 | L | 94.3 | Very high | 90.5 | Very high | 102 Ų | 102 | 59.4 Ų | 59.4 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.5 | -70.4 | 171.9 | 0 | 0 | 0 | 111.7 | V19 T20 Q25 A26 L27 | V19-L23 HydrophobicContact CG1-CD1 4.28Å; V19-L23 HydrophobicContact CG1-CG 4.5Å; V19-L23 WeakPolarHBondContact O-CG 3.33Å; V19-L23 PolarHBondContact O-N 2.83Å; T20-L23 PolarHBondContact O-N 3.31Å; L23-Q25 VanDerWaalsContact C-N 3.29Å; L23-Q25 PolarHBondContact O-N 3.12Å; L23-A26 PolarHBondContact O-N 3.25Å; L23-L27 WeakPolarHBondContact O-CG 2.94Å; L23-L27 PolarHBondContact O-N 3.36Å |
| 24 | F | 94.1 | Very high | 90.6 | Very high | 101 Ų | 101 | 59 Ų | 59 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 173.4 | -80.8 | -71.6 | 0 | 0 | 0 | 112.5 | T20 L21 L27 A28 L483 | T20-F24 HydrophobicContact CG2-CD2 4.04Å; T20-F24 HydrophobicContact CG2-CE2 3.81Å; T20-F24 VanDerWaalsContact O-CD2 3.22Å; T20-F24 WeakPolarHBondContact O-CD2 3.29Å; T20-F24 PolarHBondContact O-N 2.87Å; T20-F24 VanDerWaalsContact O-N 3.09Å; L21-F24 PolarHBondContact O-N 3.22Å; F24-L27 HydrophobicContact CD1-CD1 4.35Å; F24-L27 WeakPolarHBondContact O-CB 3.47Å; F24-L27 PolarHBondContact O-N 2.7Å; F24-A28 PolarHBondContact O-N 2.83Å; F24-L483 HydrophobicContact CB-CD1 3.77Å; F24-L483 HydrophobicContact CB-CD2 3.82Å; F24-L483 HydrophobicContact CB-CG 4.45Å; F24-L483 HydrophobicContact CG-CD2 4.42Å |
| 25 | Q | 93.1 | Very high | 91 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 175.3 | -175.3 | 58.6 | 29.4 | 0 | 0 | 111.8 | L21 L22 L23 L27 A28 F29 G476 L483 | L21-Q25 WeakPolarHBondContact O-CB 3.4Å; L21-Q25 PolarHBondContact O-N 2.95Å; L22-Q25 WeakPolarHBondContact O-CB 3.46Å; L22-Q25 PolarHBondContact O-N 3.24Å; L23-Q25 VanDerWaalsContact C-N 3.29Å; L23-Q25 PolarHBondContact O-N 3.12Å; Q25-L27 VanDerWaalsContact C-N 3.31Å; Q25-L27 PolarHBondContact O-N 2.92Å; Q25-A28 WeakPolarHBondContact O-CB 3.23Å; Q25-A28 PolarHBondContact O-N 2.83Å; Q25-F29 HydrophobicContact CG-CD2 4.1Å; Q25-F29 HydrophobicContact CG-CE2 3.79Å; Q25-F29 VanDerWaalsContact O-CD2 3.24Å; Q25-F29 WeakPolarHBondContact O-CD2 3.41Å; Q25-F29 PolarHBondContact O-N 2.78Å; Q25-F29 VanDerWaalsContact O-N 3.1Å; Q25-G476 PolarHBondContact NE2-O 2.8Å; Q25-L483 HydrophobicContact CB-CD1 3.97Å |
| 26 | A | 93 | Very high | 91.3 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L22 L23 A28 F29 M30 | L22-A26 PolarHBondContact O-N 3.18Å; L23-A26 PolarHBondContact O-N 3.25Å; A26-A28 PolarHBondContact O-N 2.02Å; A26-F29 PolarHBondContact O-N 2.76Å; A26-M30 WeakPolarHBondContact O-CG 3.26Å; A26-M30 PolarHBondContact O-N 3.44Å |
| 27 | L | 94.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 47% | 0.466 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 173.2 | -73.6 | 163.8 | 0 | 0 | 0 | 111.9 | L23 F24 Q25 F29 M30 V31 | L23-L27 WeakPolarHBondContact O-CG 2.94Å; L23-L27 PolarHBondContact O-N 3.36Å; F24-L27 HydrophobicContact CD1-CD1 4.35Å; F24-L27 WeakPolarHBondContact O-CB 3.47Å; F24-L27 PolarHBondContact O-N 2.7Å; Q25-L27 VanDerWaalsContact C-N 3.31Å; Q25-L27 PolarHBondContact O-N 2.92Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 2.78Å; L27-M30 HydrophobicContact CD2-CE 3.71Å; L27-M30 HydrophobicContact CG-CE 4.11Å; L27-M30 PolarHBondContact O-N 3.33Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.46Å; L27-V31 PolarHBondContact O-N 2.75Å |
| 28 | A | 93.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F24 Q25 A26 G32 M237 T475 | F24-A28 PolarHBondContact O-N 2.83Å; Q25-A28 WeakPolarHBondContact O-CB 3.23Å; Q25-A28 PolarHBondContact O-N 2.83Å; A26-A28 PolarHBondContact O-N 2.02Å; A28-G32 PolarHBondContact O-N 3.07Å; A28-M237 HydrophobicContact CB-CE 3.92Å; A28-T475 WeakPolarHBondContact O-CB 3.47Å; A28-T475 PolarHBondContact O-OG1 3.31Å |
| 29 | F | 92.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 173.3 | -78.6 | -66.2 | 0 | 0 | 0 | 112.5 | Q25 A26 L27 V31 G32 G33 M445 L449 A472 | Q25-F29 HydrophobicContact CG-CD2 4.1Å; Q25-F29 HydrophobicContact CG-CE2 3.79Å; Q25-F29 VanDerWaalsContact O-CD2 3.24Å; Q25-F29 WeakPolarHBondContact O-CD2 3.41Å; Q25-F29 PolarHBondContact O-N 2.78Å; Q25-F29 VanDerWaalsContact O-N 3.1Å; A26-F29 PolarHBondContact O-N 2.76Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 2.78Å; F29-V31 VanDerWaalsContact C-N 3.33Å; F29-V31 PolarHBondContact O-N 2.84Å; F29-G32 PolarHBondContact O-N 3.27Å; F29-G33 PolarHBondContact O-N 3.28Å; F29-M445 HydrophobicContact CD2-CE 4.36Å; F29-M445 HydrophobicContact CE2-CE 3.31Å; F29-M445 HydrophobicContact CE2-SD 4.39Å; F29-M445 HydrophobicContact CZ-CE 3.51Å; F29-M445 HydrophobicContact CZ-SD 4.45Å; F29-L449 HydrophobicContact CE1-CD1 3.51Å; F29-L449 HydrophobicContact CZ-CD1 3.46Å; F29-L449 VanDerWaalsContact CZ-CD1 3.46Å; F29-A472 HydrophobicContact CD1-CB 4.45Å; F29-A472 VanDerWaalsContact CD1-O 3.26Å; F29-A472 WeakPolarHBondContact CD1-O 3.5Å |
| 30 | M | 91.6 | Very high | 91.7 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 179.9 | -73.1 | -174 | -64.7 | 0 | 0 | 112.2 | A26 L27 G32 G33 L34 | A26-M30 WeakPolarHBondContact O-CG 3.26Å; A26-M30 PolarHBondContact O-N 3.44Å; L27-M30 HydrophobicContact CD2-CE 3.71Å; L27-M30 HydrophobicContact CG-CE 4.11Å; L27-M30 PolarHBondContact O-N 3.33Å; M30-G32 PolarHBondContact O-N 2.93Å; M30-G33 PolarHBondContact O-N 3.24Å; M30-L34 HydrophobicContact CB-CD1 4.3Å; M30-L34 HydrophobicContact CG-CD1 4.39Å; M30-L34 WeakPolarHBondContact O-CB 3.19Å; M30-L34 PolarHBondContact O-N 2.82Å |
| 31 | V | 93.1 | Very high | 91.6 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -60.4 | -45.3 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 111 | L27 F29 I35 A36 V233 | L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.46Å; L27-V31 PolarHBondContact O-N 2.75Å; F29-V31 VanDerWaalsContact C-N 3.33Å; F29-V31 PolarHBondContact O-N 2.84Å; V31-I35 HydrophobicContact CG2-CD1 4.33Å; V31-I35 VanDerWaalsContact O-CB 3.29Å; V31-I35 WeakPolarHBondContact O-CB 3.2Å; V31-I35 PolarHBondContact O-N 3.47Å; V31-A36 PolarHBondContact O-N 2.87Å; V31-A36 VanDerWaalsContact O-N 3.07Å; V31-V233 HydrophobicContact CG1-CG1 3.41Å; V31-V233 VanDerWaalsContact CG1-CG1 3.41Å |
| 32 | G | 89.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -72.8 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A28 F29 M30 S471 T475 | A28-G32 PolarHBondContact O-N 3.07Å; F29-G32 PolarHBondContact O-N 3.27Å; M30-G32 PolarHBondContact O-N 2.93Å; G32-S471 WeakPolarHBondContact O-CB 3.43Å; G32-T475 WeakPolarHBondContact CA-OG1 3.21Å; G32-T475 PolarHBondContact N-OG1 2.88Å |
| 33 | G | 88.4 | Confident | 91.7 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -80.9 | -33.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | F29 M30 V467 Q468 | F29-G33 PolarHBondContact O-N 3.28Å; M30-G33 PolarHBondContact O-N 3.24Å; G33-V467 WeakPolarHBondContact O-CA 3.44Å; G33-Q468 PolarHBondContact O-N 2.93Å |
| 34 | L | 89.6 | Confident | 91.6 | Very high | 111 Ų | 111 | 58.3 Ų | 58.3 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | I | π-helix | trans | -110.4 | -23.2 | -173.1 | -57.6 | 176.9 | 0 | 0 | 0 | 113.6 | M30 V467 | M30-L34 HydrophobicContact CB-CD1 4.3Å; M30-L34 HydrophobicContact CG-CD1 4.39Å; M30-L34 WeakPolarHBondContact O-CB 3.19Å; M30-L34 PolarHBondContact O-N 2.82Å; L34-V467 HydrophobicContact CD2-CG2 4.01Å |
| 35 | I | 91.3 | Very high | 91.6 | Very high | 118 Ų | 118 | 54.9 Ų | 54.9 | 61% | 0.605 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -109.1 | -48.9 | -175.9 | -54.9 | 173.9 | 0 | 0 | 0 | 111 | V31 V233 | V31-I35 HydrophobicContact CG2-CD1 4.33Å; V31-I35 VanDerWaalsContact O-CB 3.29Å; V31-I35 WeakPolarHBondContact O-CB 3.2Å; V31-I35 PolarHBondContact O-N 3.47Å; I35-V233 HydrophobicContact CG2-CG2 4.04Å |
| 36 | A | 91.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | trans | -75 | 134.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V31 F230 V233 Q468 | V31-A36 PolarHBondContact O-N 2.87Å; V31-A36 VanDerWaalsContact O-N 3.07Å; A36-F230 HydrophobicContact CB-CD2 3.96Å; A36-V233 HydrophobicContact CB-CB 4.07Å; A36-V233 HydrophobicContact CB-CG1 4.04Å; A36-V233 HydrophobicContact CB-CG2 4.07Å; A36-Q468 PolarHBondContact O-OE1 3.22Å | ||
| 37 | P | 91.6 | Very high | 91.7 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | trans | -77.8 | -177 | 169.6 | 38.4 | -39 | 0 | 0 | 0 | 110.5 | N227 G229 F230 Q468 S471 | P37-N227 WeakPolarHBondContact CB-ND2 3.5Å; P37-G229 VanDerWaalsContact CD-C 3.48Å; P37-F230 HydrophobicContact CG-CB 4.38Å; P37-Q468 PolarHBondContact O-OE1 3.16Å; P37-S471 PolarHBondContact O-OG 3.47Å | ||
| 38 | S | 88.9 | Confident | 91.7 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | trans | -64.2 | 144.8 | -165.3 | 59.8 | 0 | 0 | 0 | 0 | 109 | T40 N227 | S38-T40 PolarHBondContact O-N 3.45Å; S38-T40 PolarHBondContact OG-O 2.75Å; S38-N227 WeakPolarHBondContact O-CB 3.3Å; S38-N227 PolarHBondContact O-ND2 3.45Å | ||
| 39 | P | 89.3 | Confident | 91.7 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 8% | 0.078 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -60.5 | -38.5 | -172 | -24 | 36 | 0 | 0 | 0 | 112.1 | Q226 N227 F230 N470 S471 F474 | P39-Q226 VanDerWaalsContact O-CG 3.31Å; P39-Q226 WeakPolarHBondContact O-CG 3.43Å; P39-N227 PolarHBondContact O-N 3.05Å; P39-F230 HydrophobicContact CB-CD1 4.24Å; P39-F230 HydrophobicContact CB-CD2 4.31Å; P39-F230 HydrophobicContact CB-CE1 4.19Å; P39-F230 HydrophobicContact CB-CE2 4.27Å; P39-F230 HydrophobicContact CB-CG 4.32Å; P39-F230 HydrophobicContact CB-CZ 4.21Å; P39-F230 HydrophobicContact CG-CD2 4.34Å; P39-F230 HydrophobicContact CG-CE2 4.2Å; P39-N470 HydrophobicContact CG-CB 3.99Å; P39-S471 WeakPolarHBondContact CD-OG 3.48Å; P39-S471 WeakPolarHBondContact CG-OG 3.4Å; P39-F474 HydrophobicContact CB-CD2 3.98Å; P39-F474 HydrophobicContact CB-CE2 3.89Å; P39-F474 HydrophobicContact CG-CD2 3.61Å; P39-F474 HydrophobicContact CG-CE2 3.72Å |
| 40 | T | 91.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 53 Ų | 53 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 159.5 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | S38 F109 I224 H225 | S38-T40 PolarHBondContact O-N 3.45Å; S38-T40 PolarHBondContact OG-O 2.75Å; T40-F109 HydrophobicContact CG2-CZ 4.08Å; T40-I224 HydrophobicContact CG2-CG2 4.33Å; T40-H225 WeakPolarHBondContact CA-O 3.36Å |
| 41 | R | 90.6 | Very high | 91.7 | Very high | 151 Ų | 151 | 49.1 Ų | 49.1 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131 | 169.5 | -176.4 | 176.4 | -176.8 | 166.8 | 1 | 108.4 | I224 H225 | R41-I224 WeakPolarHBondContact O-CA 3.26Å; R41-H225 PolarHBondContact N-O 2.88Å; R41-H225 PolarHBondContact O-N 2.81Å; R41-H225 VanDerWaalsContact O-N 3.09Å |
| 42 | A | 91.4 | Very high | 91.4 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V222 S223 I224 | A42-V222 HydrophobicContact CB-CG1 4.13Å; A42-S223 CarbonylContact C-O 3.47Å; A42-S223 WeakPolarHBondContact CA-O 3.24Å; A42-I224 HydrophobicContact CB-CG1 4.16Å |
| 43 | A | 92.2 | Very high | 90.7 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 20% | 0.198 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y45 S223 | A43-Y45 HydrophobicContact CB-CE2 3.66Å; A43-Y45 VanDerWaalsContact O-CD2 3.29Å; A43-Y45 WeakPolarHBondContact O-CD2 3.46Å; A43-Y45 VanDerWaalsContact O-CE2 3.3Å; A43-Y45 WeakPolarHBondContact O-CE2 3.4Å; A43-S223 PolarHBondContact N-O 2.81Å; A43-S223 PolarHBondContact O-N 2.79Å |
| 44 | E | 92.6 | Very high | 89.7 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 137.4 | 179 | -59.7 | -174.9 | 177 | 0 | 0 | 110.8 | L221 V222 | E44-L221 CarbonylContact C-O 3.57Å; E44-V222 HydrophobicContact CG-CG2 4.25Å |
| 45 | Y | 93.8 | Very high | 88.1 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 11% | 0.114 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.3 | 179.2 | -61 | -95.3 | 0 | 0 | 0 | 109 | A43 H95 I96 M98 R220 L221 | A43-Y45 HydrophobicContact CB-CE2 3.66Å; A43-Y45 VanDerWaalsContact O-CD2 3.29Å; A43-Y45 WeakPolarHBondContact O-CD2 3.46Å; A43-Y45 VanDerWaalsContact O-CE2 3.3Å; A43-Y45 WeakPolarHBondContact O-CE2 3.4Å; Y45-H95 WeakPolarHBondContact CE1-O 2.88Å; Y45-I96 HydrophobicContact CE1-CG1 4.35Å; Y45-I96 HydrophobicContact CE2-CG1 4.32Å; Y45-M98 HydrophobicContact CE1-CB 4.34Å; Y45-R220 CarbonylContact O-C 3.6Å; Y45-R220 WeakPolarHBondContact O-CA 3.19Å; Y45-L221 PolarHBondContact N-O 2.93Å; Y45-L221 PolarHBondContact O-N 2.76Å |
| 46 | L | 94.6 | Very high | 86.2 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.9 | 167.9 | -175.9 | 68 | 0 | 0 | 0 | 108.5 | T48 D218 R220 | L46-T48 PolarHBondContact O-N 3.28Å; L46-D218 HydrophobicContact CD1-CB 3.9Å; L46-R220 HydrophobicContact CD1-CG 4.06Å |
| 47 | A | 94.4 | Very high | 84.5 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 131.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F92 I219 | A47-F92 HydrophobicContact CB-CB 3.88Å; A47-F92 HydrophobicContact CB-CD1 4.41Å; A47-I219 HydrophobicContact CB-CB 4.14Å; A47-I219 WeakPolarHBondContact CB-O 3.03Å; A47-I219 PolarHBondContact N-O 3.38Å |
| 48 | T | 94.5 | Very high | 82.3 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 24% | 0.239 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.4 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | L46 C50 P65 K73 F92 A93 | L46-T48 PolarHBondContact O-N 3.28Å; T48-C50 PolarHBondContact O-N 3.34Å; T48-P65 HydrophobicContact CG2-CB 4.3Å; T48-P65 WeakPolarHBondContact OG1-CB 2.92Å; T48-K73 HydrophobicContact CG2-CB 4.3Å; T48-K73 HydrophobicContact CG2-CD 3.58Å; T48-K73 HydrophobicContact CG2-CG 3.61Å; T48-F92 WeakPolarHBondContact O-CA 3.47Å; T48-A93 PolarHBondContact N-O 3.37Å; T48-A93 PolarHBondContact O-N 2.83Å |
| 49 | K | 94.1 | Very high | 80.7 | Confident | 10 Ų | 10 | 84.1 Ų | 84.1 | 4% | 0.043 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 103.2 | 177.7 | -60.2 | 163 | -161.2 | 165.1 | 0 | 109.9 | K73 I74 K75 F77 I90 F92 R217 D218 | K49-K73 VanDerWaalsContact O-CA 3.29Å; K49-K73 WeakPolarHBondContact O-CA 3.22Å; K49-I74 HydrophobicContact CB-CD1 4.03Å; K49-I74 HydrophobicContact CB-CG1 3.46Å; K49-I74 VanDerWaalsContact CB-CG1 3.46Å; K49-I74 HydrophobicContact CD-CG1 4.32Å; K49-I74 HydrophobicContact CG-CG1 4.5Å; K49-I74 PolarHBondContact O-N 3.28Å; K49-K75 PolarHBondContact NZ-O 2.86Å; K49-F77 HydrophobicContact CD-CE1 4.37Å; K49-F77 HydrophobicContact CD-CE2 4.46Å; K49-F77 HydrophobicContact CD-CZ 4.05Å; K49-I90 HydrophobicContact CB-CG2 4.42Å; K49-F92 HydrophobicContact CD-CE1 4.38Å; K49-F92 HydrophobicContact CG-CD1 3.87Å; K49-F92 HydrophobicContact CG-CE1 3.69Å; K49-R217 WeakPolarHBondContact CE-O 3.19Å; K49-R217 PolarHBondContact NZ-O 2.87Å; K49-D218 WeakPolarHBondContact CE-OD1 3.39Å; K49-D218 IonicContact NZ-OD1 2.97Å; K49-D218 PolarHBondContact NZ-OD1 2.8Å; K49-D218 IonicContact NZ-OD2 2.68Å |
| 50 | C | 92.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 149.2 | 176 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | T48 F63 C71 E72 I90 V91 | T48-C50 PolarHBondContact O-N 3.34Å; C50-F63 HydrophobicContact CB-CB 4.07Å; C50-F63 HydrophobicContact CB-CD1 4.02Å; C50-F63 HydrophobicContact CB-CG 4.23Å; C50-C71 VanDerWaalsContact CA-SG 3.6Å; C50-C71 HydrophobicContact CB-CB 3.5Å; C50-C71 VanDerWaalsContact CB-CB 3.5Å; C50-C71 WeakPolarHBondContact CB-SG 3.25Å; C50-C71 WeakPolarHBondContact SG-CB 3.41Å; C50-C71 CovalentContact SG-SG 2.02Å; C50-C71 PolarHBondContact SG-SG 2.85Å; C50-E72 WeakPolarHBondContact CA-O 2.98Å; C50-I90 WeakPolarHBondContact O-CA 3.48Å; C50-V91 WeakPolarHBondContact CA-O 3.03Å; C50-V91 HydrophobicContact CB-CB 4.32Å; C50-V91 WeakPolarHBondContact CB-O 3.36Å; C50-V91 PolarHBondContact N-O 3.31Å; C50-V91 PolarHBondContact O-N 3.49Å |
| 51 | V | 90.9 | Very high | 79 | Confident | 11 Ų | 11 | 90.2 Ų | 90.2 | 7% | 0.067 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.1 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | K53 E72 I74 I85 | V51-K53 HydrophobicContact CG1-CG 4.24Å; V51-E72 PolarHBondContact N-O 2.77Å; V51-I74 HydrophobicContact CG2-CG1 4.45Å; V51-I74 HydrophobicContact CG2-CG2 3.75Å; V51-I85 HydrophobicContact CB-CD1 4.39Å; V51-I85 HydrophobicContact CG1-CD1 3.76Å; V51-I85 HydrophobicContact CG1-CG1 4.15Å; V51-I85 HydrophobicContact CG1-CG2 4.05Å; V51-I85 HydrophobicContact CG2-CD1 3.68Å |
| 52 | D | 85.9 | Confident | 78.9 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 10% | 0.096 | 42% | 0.422 | C | S | . | . | trans | -87.9 | 118.2 | 167.4 | -162.1 | -13.3 | 0 | 0 | 0 | 110 | I54 F63 N89 V91 R200 | D52-I54 PolarHBondContact OD1-N 3.1Å; D52-F63 HydrophobicContact CB-CE1 4.3Å; D52-F63 HydrophobicContact CB-CE2 4.48Å; D52-F63 HydrophobicContact CB-CZ 3.71Å; D52-N89 PolarHBondContact N-O 3.26Å; D52-N89 WeakPolarHBondContact O-CB 3.39Å; D52-V91 HydrophobicContact CB-CG2 4.36Å; D52-R200 IonicContact OD2-CZ 3.58Å; D52-R200 IonicContact OD2-NH2 2.97Å; D52-R200 PolarHBondContact OD2-NH2 2.77Å | ||
| 53 | K | 76.5 | Confident | 78.9 | Confident | 142 Ų | 142 | 82.6 Ų | 82.6 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | trans | -97.7 | -6.4 | -179.9 | -71.2 | -176.9 | 169.6 | 176 | 0 | 112.6 | V51 E72 | V51-K53 HydrophobicContact CG1-CG 4.24Å; K53-E72 WeakPolarHBondContact CE-OE1 3.17Å; K53-E72 WeakPolarHBondContact CE-OE2 3.44Å; K53-E72 IonicContact NZ-OE1 2.55Å; K53-E72 PolarHBondContact NZ-OE1 3.36Å; K53-E72 IonicContact NZ-OE2 3.94Å; K53-E72 PolarHBondContact NZ-OE2 3.14Å | ||
| 54 | I | 65.7 | Low | 78.8 | Confident | 89 Ų | 89 | 82.1 Ų | 82.1 | 46% | 0.456 | 39% | 0.393 | S | S | . | . | trans | -87.1 | 126.2 | -169.2 | -58.2 | 175.2 | 0 | 0 | 0 | 109.5 | D52 Y56 K61 | D52-I54 PolarHBondContact OD1-N 3.1Å; I54-Y56 VanDerWaalsContact C-N 3.33Å; I54-Y56 VanDerWaalsContact CG2-O 3.31Å; I54-Y56 WeakPolarHBondContact CG2-O 3.47Å; I54-K61 HydrophobicContact CD1-CD 3.98Å | ||
| 55 | K | 56.1 | Low | 78.8 | Confident | 195 Ų | 195 | 75.4 Ų | 75.4 | 85% | 0.848 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.5 | -12.3 | -179.7 | -78.4 | -176.3 | 174.6 | -177.9 | 0 | 114.5 | ||
| 56 | Y | 52.8 | Low | 78.5 | Confident | 184 Ų | 184 | 77.4 Ų | 77.4 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | trans | -128.9 | 107.8 | -176.6 | -69.1 | -81.6 | 0 | 0 | 0 | 110.7 | I54 E58 | I54-Y56 VanDerWaalsContact C-N 3.33Å; I54-Y56 VanDerWaalsContact CG2-O 3.31Å; I54-Y56 WeakPolarHBondContact CG2-O 3.47Å; Y56-E58 PolarHBondContact O-N 2.92Å; Y56-E58 VanDerWaalsContact O-N 3.07Å | ||
| 57 | P | 55.7 | Low | 78.1 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | trans | -84.5 | 47.9 | -175.3 | 34.7 | -35.4 | 0 | 0 | 0 | 112.8 | ||||
| 58 | E | 45.2 | Very low | 77.4 | Confident | 180 Ų | 180 | 80.8 Ų | 80.8 | 84% | 0.841 | 40% | 0.401 | S | S | * | . | trans | -84.3 | -16.7 | -178.9 | -70.1 | -166.3 | 168.8 | 0 | 0 | 113.8 | Y56 | Y56-E58 PolarHBondContact O-N 2.92Å; Y56-E58 VanDerWaalsContact O-N 3.07Å | ||
| 59 | E | 55.3 | Low | 76.8 | Confident | 178 Ų | 178 | 85.3 Ų | 85.3 | 83% | 0.832 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -120.5 | 128.5 | 172 | -73.2 | -179.3 | 169.9 | 0 | 0 | 110.5 | K61 | E59-K61 VanDerWaalsContact C-N 3.28Å; E59-K61 PolarHBondContact O-N 2.76Å |
| 60 | T | 62.9 | Low | 76.6 | Confident | 91 Ų | 91 | 90 Ų | 90 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | trans | -67.4 | 85.4 | 175.1 | 38.8 | 0 | 0 | 0 | 0 | 109.9 | W62 | T60-W62 PolarHBondContact O-N 2.82Š| ||
| 61 | K | 80.9 | Confident | 76.4 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | trans | -73.6 | 120.9 | 176.7 | -169.6 | 174.3 | -177.4 | 176.2 | 0 | 110.5 | I54 E59 F63 | I54-K61 HydrophobicContact CD1-CD 3.98Å; E59-K61 VanDerWaalsContact C-N 3.28Å; E59-K61 PolarHBondContact O-N 2.76Å; K61-F63 HydrophobicContact CB-CE2 4.34Å; K61-F63 HydrophobicContact CB-CZ 4.43Å; K61-F63 HydrophobicContact CD-CE1 4.46Å; K61-F63 HydrophobicContact CD-CZ 4.32Å; K61-F63 HydrophobicContact CG-CZ 4.45Å; K61-F63 VanDerWaalsContact O-CD2 3.25Å; K61-F63 WeakPolarHBondContact O-CD2 3.5Å; K61-F63 VanDerWaalsContact O-CE2 3.27Å; K61-F63 WeakPolarHBondContact O-CE2 3.48Å | ||
| 62 | W | 89.5 | Confident | 76.3 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 17% | 0.174 | 47% | 0.467 | C | S | . | . | trans | -82.2 | 129.9 | 174.2 | -66.2 | 103.4 | 0 | 0 | 0 | 110.6 | T60 A139 W148 E150 L196 N198 | T60-W62 PolarHBondContact O-N 2.82Å; W62-A139 HydrophobicContact CD2-CB 3.74Å; W62-A139 HydrophobicContact CE3-CB 3.72Å; W62-A139 HydrophobicContact CH2-CB 3.68Å; W62-A139 HydrophobicContact CZ2-CB 3.69Å; W62-A139 HydrophobicContact CZ3-CB 3.68Å; W62-W148 HydrophobicContact CB-CB 4.07Å; W62-W148 HydrophobicContact CB-CG 4Å; W62-W148 VanDerWaalsContact CD1-CB 3.45Å; W62-W148 HydrophobicContact CD2-CB 4.22Å; W62-W148 HydrophobicContact CG-CB 3.61Å; W62-W148 HydrophobicContact CG-CG 4.04Å; W62-E150 HydrophobicContact CH2-CG 4.25Å; W62-E150 HydrophobicContact CZ2-CB 3.88Å; W62-E150 HydrophobicContact CZ2-CG 3.87Å; W62-L196 HydrophobicContact CB-CD2 3.8Å; W62-L196 HydrophobicContact CD2-CD2 4.49Å; W62-L196 HydrophobicContact CE3-CD2 4Å; W62-L196 HydrophobicContact CG-CD2 4.45Å; W62-N198 HydrophobicContact CE3-CB 4.47Å; W62-N198 HydrophobicContact CZ3-CB 4.28Å | ||
| 63 | F | 91.1 | Very high | 76.5 | Confident | 10 Ų | 10 | 97 Ų | 97 | 4% | 0.044 | 48% | 0.478 | C | S | . | . | trans | -104.7 | 109.1 | -172.2 | -72.5 | -86.2 | 0 | 0 | 0 | 108.7 | C50 D52 K61 C71 V91 A93 N198 | C50-F63 HydrophobicContact CB-CB 4.07Å; C50-F63 HydrophobicContact CB-CD1 4.02Å; C50-F63 HydrophobicContact CB-CG 4.23Å; D52-F63 HydrophobicContact CB-CE1 4.3Å; D52-F63 HydrophobicContact CB-CE2 4.48Å; D52-F63 HydrophobicContact CB-CZ 3.71Å; K61-F63 HydrophobicContact CB-CE2 4.34Å; K61-F63 HydrophobicContact CB-CZ 4.43Å; K61-F63 HydrophobicContact CD-CE1 4.46Å; K61-F63 HydrophobicContact CD-CZ 4.32Å; K61-F63 HydrophobicContact CG-CZ 4.45Å; K61-F63 VanDerWaalsContact O-CD2 3.25Å; K61-F63 WeakPolarHBondContact O-CD2 3.5Å; K61-F63 VanDerWaalsContact O-CE2 3.27Å; K61-F63 WeakPolarHBondContact O-CE2 3.48Å; F63-C71 HydrophobicContact CB-CB 4.28Å; F63-C71 HydrophobicContact CD1-CB 4.01Å; F63-V91 HydrophobicContact CD2-CB 4.12Å; F63-V91 HydrophobicContact CD2-CG1 3.94Å; F63-V91 HydrophobicContact CD2-CG2 3.96Å; F63-V91 HydrophobicContact CE2-CB 4.5Å; F63-V91 HydrophobicContact CE2-CG2 3.84Å; F63-V91 HydrophobicContact CG-CB 4.43Å; F63-V91 HydrophobicContact CG-CG1 4.44Å; F63-V91 HydrophobicContact CZ-CG2 4.34Å; F63-A93 HydrophobicContact CB-CB 4.27Å; F63-A93 VanDerWaalsContact O-CB 3.23Å; F63-A93 WeakPolarHBondContact O-CB 3.48Å; F63-N198 PolarHBondContact N-ND2 3.37Å; F63-N198 PolarHBondContact O-OD1 2.71Å | ||
| 64 | M | 90.4 | Very high | 77.1 | Confident | 15 Ų | 15 | 90.6 Ų | 90.6 | 7% | 0.074 | 45% | 0.451 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 127.2 | -178.7 | -165.5 | 74.4 | 79.1 | 0 | 0 | 110.8 | W66 D69 Q70 C71 R141 W148 | M64-W66 VanDerWaalsContact C-N 3.27Å; M64-W66 WeakPolarHBondContact CG-O 3.13Å; M64-W66 PolarHBondContact O-N 3.28Å; M64-D69 WeakPolarHBondContact CB-O 3.39Å; M64-Q70 CarbonylContact O-C 3.52Å; M64-Q70 WeakPolarHBondContact O-CA 3.28Å; M64-C71 PolarHBondContact O-N 3.48Å; M64-R141 VanDerWaalsContact CE-NH2 3.33Å; M64-W148 HydrophobicContact CE-CZ2 3.59Å; M64-W148 VanDerWaalsContact CE-NE1 3.27Å; M64-W148 HydrophobicContact SD-CZ2 3.78Å |
| 65 | P | 91.3 | Very high | 77.9 | Confident | 6 Ų | 6 | 95 Ų | 95 | 4% | 0.039 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -73.9 | -12.7 | -180 | 27 | -33.4 | 0 | 0 | 0 | 114 | T48 K73 A93 H95 L196 | T48-P65 HydrophobicContact CG2-CB 4.3Å; T48-P65 WeakPolarHBondContact OG1-CB 2.92Å; P65-K73 WeakPolarHBondContact O-CE 3.39Å; P65-K73 PolarHBondContact O-NZ 3.17Å; P65-A93 HydrophobicContact CB-CB 4.32Å; P65-H95 HydrophobicContact CG-CB 3.61Å; P65-L196 HydrophobicContact CG-CD1 4.49Å |
| 66 | W | 88.6 | Confident | 79.3 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -161.1 | 170.6 | -179.6 | 52.4 | -97 | 0 | 0 | 0 | 110.8 | M64 H95 S99 | M64-W66 VanDerWaalsContact C-N 3.27Å; M64-W66 WeakPolarHBondContact CG-O 3.13Å; M64-W66 PolarHBondContact O-N 3.28Å; W66-H95 HydrophobicContact CZ2-CB 4.4Å; W66-H95 AromaticContact CZ2-CD2 3.93Å; W66-H95 AromaticContact CZ2-CE1 3.52Å; W66-H95 AromaticContact CZ2-CG 3.71Å; W66-H95 AromaticContact CZ2-ND1 3.46Å; W66-H95 WeakPolarHBondContact CZ2-ND1 3.03Å; W66-H95 AromaticContact CZ2-NE2 3.8Å; W66-H95 AromaticContact NE1-CG 3.88Å; W66-S99 VanDerWaalsContact CE2-CB 3.48Å; W66-S99 VanDerWaalsContact CH2-CA 3.47Å; W66-S99 VanDerWaalsContact CH2-CB 3.46Å; W66-S99 VanDerWaalsContact CZ2-CB 3.41Å |
| 67 | G | 85.1 | Confident | 80.7 | Confident | 41 Ų | 41 | 81.8 Ų | 81.8 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 98.5 | -164.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q70 | G67-Q70 WeakPolarHBondContact O-CB 2.95Å; G67-Q70 WeakPolarHBondContact O-CG 3.47Å; G67-Q70 PolarHBondContact O-N 3.36Å |
| 68 | V | 81.1 | Confident | 81.9 | Confident | 140 Ų | 140 | 80.7 Ų | 80.7 | 85% | 0.848 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -47.2 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | Q70 | V68-Q70 PolarHBondContact O-N 3.05Š|
| 69 | D | 82.1 | Confident | 83.8 | Confident | 135 Ų | 135 | 75 Ų | 75 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 34 | 178.5 | -54.7 | -46.7 | 0 | 0 | 0 | 112.4 | M64 | M64-D69 WeakPolarHBondContact CB-O 3.39Š|
| 70 | Q | 88.3 | Confident | 85.1 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 142.2 | -179.5 | 65.6 | 178 | -21.5 | 0 | 0 | 111.6 | M64 G67 V68 | M64-Q70 CarbonylContact O-C 3.52Å; M64-Q70 WeakPolarHBondContact O-CA 3.28Å; G67-Q70 WeakPolarHBondContact O-CB 2.95Å; G67-Q70 WeakPolarHBondContact O-CG 3.47Å; G67-Q70 PolarHBondContact O-N 3.36Å; V68-Q70 PolarHBondContact O-N 3.05Å |
| 71 | C | 89.3 | Confident | 86.1 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 159.8 | 174 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | C50 F63 M64 K73 | C50-C71 VanDerWaalsContact CA-SG 3.6Å; C50-C71 HydrophobicContact CB-CB 3.5Å; C50-C71 VanDerWaalsContact CB-CB 3.5Å; C50-C71 WeakPolarHBondContact CB-SG 3.25Å; C50-C71 WeakPolarHBondContact SG-CB 3.41Å; C50-C71 CovalentContact SG-SG 2.02Å; C50-C71 PolarHBondContact SG-SG 2.85Å; F63-C71 HydrophobicContact CB-CB 4.28Å; F63-C71 HydrophobicContact CD1-CB 4.01Å; M64-C71 PolarHBondContact O-N 3.48Å; C71-K73 WeakPolarHBondContact O-CG 3.46Å; C71-K73 PolarHBondContact O-N 2.85Å |
| 72 | E | 88.6 | Confident | 86.3 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 118.4 | 167.4 | -175 | 171.8 | 161.4 | 0 | 0 | 109.5 | C50 V51 K53 | C50-E72 WeakPolarHBondContact CA-O 2.98Å; V51-E72 PolarHBondContact N-O 2.77Å; K53-E72 WeakPolarHBondContact CE-OE1 3.17Å; K53-E72 WeakPolarHBondContact CE-OE2 3.44Å; K53-E72 IonicContact NZ-OE1 2.55Å; K53-E72 PolarHBondContact NZ-OE1 3.36Å; K53-E72 IonicContact NZ-OE2 3.94Å; K53-E72 PolarHBondContact NZ-OE2 3.14Å |
| 73 | K | 89.7 | Confident | 86.1 | Confident | 79 Ų | 79 | 70 Ų | 70 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -99.9 | 147.3 | -171 | -54.8 | 173 | -167.3 | 171.8 | 0 | 111.2 | T48 K49 P65 C71 | T48-K73 HydrophobicContact CG2-CB 4.3Å; T48-K73 HydrophobicContact CG2-CD 3.58Å; T48-K73 HydrophobicContact CG2-CG 3.61Å; K49-K73 VanDerWaalsContact O-CA 3.29Å; K49-K73 WeakPolarHBondContact O-CA 3.22Å; P65-K73 WeakPolarHBondContact O-CE 3.39Å; P65-K73 PolarHBondContact O-NZ 3.17Å; C71-K73 WeakPolarHBondContact O-CG 3.46Å; C71-K73 PolarHBondContact O-N 2.85Å |
| 74 | I | 90.1 | Very high | 85.9 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.036 | 41% | 0.408 | C | S | . | . | trans | -114.4 | 136.9 | 165.8 | 52.3 | 173.2 | 0 | 0 | 0 | 109.1 | K49 V51 A80 I85 I90 | K49-I74 HydrophobicContact CB-CD1 4.03Å; K49-I74 HydrophobicContact CB-CG1 3.46Å; K49-I74 VanDerWaalsContact CB-CG1 3.46Å; K49-I74 HydrophobicContact CD-CG1 4.32Å; K49-I74 HydrophobicContact CG-CG1 4.5Å; K49-I74 PolarHBondContact O-N 3.28Å; V51-I74 HydrophobicContact CG2-CG1 4.45Å; V51-I74 HydrophobicContact CG2-CG2 3.75Å; I74-A80 HydrophobicContact CD1-CB 3.9Å; I74-I85 HydrophobicContact CG2-CD1 4.26Å; I74-I90 HydrophobicContact CD1-CD1 3.98Å; I74-I90 HydrophobicContact CD1-CG1 4.32Å; I74-I90 HydrophobicContact CD1-CG2 4.38Å | ||
| 75 | K | 82.9 | Confident | 85.6 | Confident | 181 Ų | 181 | 81.3 Ų | 81.3 | 79% | 0.787 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -83.9 | -45.4 | 177.8 | -69.9 | -175.8 | 179.5 | 179.9 | 0 | 111 | K49 E79 | K49-K75 PolarHBondContact NZ-O 2.86Å; K75-E79 PolarHBondContact N-OE2 3.16Å; K75-E79 VanDerWaalsContact N-OE2 3.15Å |
| 76 | T | 83.4 | Confident | 85.4 | Confident | 65 Ų | 65 | 87 Ų | 87 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -128.7 | 156.2 | -178.5 | 60 | 0 | 0 | 0 | 0 | 111.4 | D78 E79 | T76-D78 PolarHBondContact O-N 2.83Å; T76-E79 VanDerWaalsContact O-CB 3.32Å; T76-E79 WeakPolarHBondContact O-CB 3.48Å; T76-E79 PolarHBondContact O-N 2.76Å |
| 77 | F | 83 | Confident | 85.3 | Confident | 36 Ų | 36 | 86.1 Ų | 86.1 | 16% | 0.158 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.7 | -20.2 | 176 | -69.3 | -66.3 | 0 | 0 | 0 | 113.3 | K49 E79 A80 M81 I90 F92 I216 R217 | K49-F77 HydrophobicContact CD-CE1 4.37Å; K49-F77 HydrophobicContact CD-CE2 4.46Å; K49-F77 HydrophobicContact CD-CZ 4.05Å; F77-E79 PolarHBondContact O-N 3.43Å; F77-A80 HydrophobicContact CD1-CB 4.5Å; F77-A80 WeakPolarHBondContact O-CA 3.41Å; F77-A80 WeakPolarHBondContact O-CB 3.23Å; F77-A80 PolarHBondContact O-N 3.2Å; F77-M81 PolarHBondContact O-N 2.78Å; F77-I90 HydrophobicContact CD1-CD1 3.96Å; F77-I90 HydrophobicContact CE1-CD1 3.69Å; F77-I90 HydrophobicContact CE1-CG2 4.46Å; F77-F92 HydrophobicContact CZ-CE1 4.27Å; F77-F92 AromaticContact CZ-CZ 3.94Å; F77-F92 HydrophobicContact CZ-CZ 3.94Å; F77-I216 WeakPolarHBondContact CE2-O 3.43Å; F77-R217 WeakPolarHBondContact CE2-O 3.37Å |
| 78 | D | 81.2 | Confident | 85.4 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 172 | -53.7 | -51.5 | 0 | 0 | 0 | 111.1 | T76 A80 M81 A82 | T76-D78 PolarHBondContact O-N 2.83Å; D78-A80 VanDerWaalsContact C-N 3.33Å; D78-M81 PolarHBondContact O-N 2.86Å; D78-A82 WeakPolarHBondContact O-CB 3.31Å; D78-A82 PolarHBondContact O-N 2.97Å |
| 79 | E | 84.4 | Confident | 85.8 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 172.5 | -168.1 | -174.6 | 173.1 | 0 | 0 | 111.5 | K75 T76 F77 A82 K83 | K75-E79 PolarHBondContact N-OE2 3.16Å; K75-E79 VanDerWaalsContact N-OE2 3.15Å; T76-E79 VanDerWaalsContact O-CB 3.32Å; T76-E79 WeakPolarHBondContact O-CB 3.48Å; T76-E79 PolarHBondContact O-N 2.76Å; F77-E79 PolarHBondContact O-N 3.43Å; E79-A82 PolarHBondContact O-N 2.84Å; E79-K83 HydrophobicContact CG-CD 4.38Å; E79-K83 WeakPolarHBondContact O-CB 3.49Å; E79-K83 WeakPolarHBondContact O-CG 3.39Å; E79-K83 PolarHBondContact O-N 3.49Å; E79-K83 VanDerWaalsContact OE1-CE 3.31Å; E79-K83 WeakPolarHBondContact OE1-CE 3.38Å; E79-K83 IonicContact OE1-NZ 2.67Å; E79-K83 PolarHBondContact OE1-NZ 2.85Å |
| 80 | A | 82.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 3% | 0.033 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I74 F77 D78 K83 R84 I85 I90 | I74-A80 HydrophobicContact CD1-CB 3.9Å; F77-A80 HydrophobicContact CD1-CB 4.5Å; F77-A80 WeakPolarHBondContact O-CA 3.41Å; F77-A80 WeakPolarHBondContact O-CB 3.23Å; F77-A80 PolarHBondContact O-N 3.2Å; D78-A80 VanDerWaalsContact C-N 3.33Å; A80-K83 CarbonylContact O-C 3.58Å; A80-K83 PolarHBondContact O-N 2.82Å; A80-R84 PolarHBondContact O-N 2.83Å; A80-I85 HydrophobicContact CB-CB 4.27Å; A80-I85 PolarHBondContact O-N 2.76Å; A80-I90 HydrophobicContact CB-CD1 4.37Å |
| 81 | M | 84.5 | Confident | 86.5 | Confident | 143 Ų | 143 | 72.3 Ų | 72.3 | 70% | 0.704 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.6 | -68.1 | -144.8 | -62.2 | 0 | 0 | 112 | F77 D78 K83 R84 | F77-M81 PolarHBondContact O-N 2.78Å; D78-M81 PolarHBondContact O-N 2.86Å; M81-K83 VanDerWaalsContact C-N 3.25Å; M81-K83 PolarHBondContact O-N 2.85Å; M81-R84 PolarHBondContact O-N 2.67Å |
| 82 | A | 85.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 72 Ų | 72 | 69% | 0.694 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.1 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D78 E79 R84 | D78-A82 WeakPolarHBondContact O-CB 3.31Å; D78-A82 PolarHBondContact O-N 2.97Å; E79-A82 PolarHBondContact O-N 2.84Å; A82-R84 VanDerWaalsContact C-N 3.35Å |
| 83 | K | 84.9 | Confident | 87 | Confident | 96 Ų | 96 | 68 Ų | 68 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1 | 176.5 | -67 | -179.9 | -172.8 | 173.6 | 0 | 114.2 | E79 A80 M81 I85 | E79-K83 HydrophobicContact CG-CD 4.38Å; E79-K83 WeakPolarHBondContact O-CB 3.49Å; E79-K83 WeakPolarHBondContact O-CG 3.39Å; E79-K83 PolarHBondContact O-N 3.49Å; E79-K83 VanDerWaalsContact OE1-CE 3.31Å; E79-K83 WeakPolarHBondContact OE1-CE 3.38Å; E79-K83 IonicContact OE1-NZ 2.67Å; E79-K83 PolarHBondContact OE1-NZ 2.85Å; A80-K83 CarbonylContact O-C 3.58Å; A80-K83 PolarHBondContact O-N 2.82Å; M81-K83 VanDerWaalsContact C-N 3.25Å; M81-K83 PolarHBondContact O-N 2.85Å; K83-I85 VanDerWaalsContact C-N 3.31Å; K83-I85 HydrophobicContact CB-CD1 3.79Å; K83-I85 HydrophobicContact CB-CG1 3.91Å; K83-I85 HydrophobicContact CD-CD1 4.14Å; K83-I85 PolarHBondContact O-N 3.16Å |
| 84 | R | 85.4 | Confident | 87.3 | Confident | 229 Ų | 229 | 64.5 Ų | 64.5 | 86% | 0.864 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42.3 | -176.4 | -57.3 | -177.8 | 179.6 | -177.7 | -0.8 | 113.5 | A80 M81 A82 | A80-R84 PolarHBondContact O-N 2.83Å; M81-R84 PolarHBondContact O-N 2.67Å; A82-R84 VanDerWaalsContact C-N 3.35Å |
| 85 | I | 85.9 | Confident | 87.5 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | trans | -84.6 | 126.3 | 177 | -62.2 | 166.3 | 0 | 0 | 0 | 108.8 | V51 I74 A80 K83 N89 I90 | V51-I85 HydrophobicContact CB-CD1 4.39Å; V51-I85 HydrophobicContact CG1-CD1 3.76Å; V51-I85 HydrophobicContact CG1-CG1 4.15Å; V51-I85 HydrophobicContact CG1-CG2 4.05Å; V51-I85 HydrophobicContact CG2-CD1 3.68Å; I74-I85 HydrophobicContact CG2-CD1 4.26Å; A80-I85 HydrophobicContact CB-CB 4.27Å; A80-I85 PolarHBondContact O-N 2.76Å; K83-I85 VanDerWaalsContact C-N 3.31Å; K83-I85 HydrophobicContact CB-CD1 3.79Å; K83-I85 HydrophobicContact CB-CG1 3.91Å; K83-I85 HydrophobicContact CD-CD1 4.14Å; K83-I85 PolarHBondContact O-N 3.16Å; I85-N89 HydrophobicContact CG2-CB 4.07Å; I85-I90 HydrophobicContact CG2-CD1 4.45Å; I85-I90 HydrophobicContact CG2-CG1 3.95Å | ||
| 86 | E | 87.1 | Confident | 88 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 59% | 0.589 | 29% | 0.288 | S | S | * | . | trans | -73.2 | 153.5 | 174.9 | -64 | 178.7 | -172.9 | 0 | 0 | 111.7 | N88 N89 | E86-N88 VanDerWaalsContact C-N 3.27Å; E86-N88 PolarHBondContact O-N 2.04Å; E86-N89 WeakPolarHBondContact O-CB 3.33Å; E86-N89 PolarHBondContact O-N 3.23Å | ||
| 87 | A | 85.9 | Confident | 88.4 | Confident | 53 Ų | 53 | 53 Ų | 53 | 44% | 0.438 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -57.9 | -38.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | N89 I90 V203 | A87-N89 PolarHBondContact O-N 2.88Å; A87-I90 PolarHBondContact O-N 2.91Å; A87-I90 VanDerWaalsContact O-N 3.16Å; A87-V203 HydrophobicContact CB-CG2 3.79Å |
| 88 | N | 87.4 | Confident | 88.4 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -65 | -20.9 | 179.6 | -66.3 | -19 | 0 | 0 | 0 | 113.5 | E86 I90 P202 V203 | E86-N88 VanDerWaalsContact C-N 3.27Å; E86-N88 PolarHBondContact O-N 2.04Å; N88-I90 VanDerWaalsContact C-N 3.31Å; N88-P202 WeakPolarHBondContact OD1-CA 3.47Å; N88-V203 PolarHBondContact ND2-O 3.43Å; N88-V203 PolarHBondContact OD1-N 2.94Å |
| 89 | N | 88.9 | Confident | 88.1 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -90.2 | 2 | -178.7 | -65.9 | -14.2 | 0 | 0 | 0 | 112.2 | D52 I85 E86 A87 | D52-N89 PolarHBondContact N-O 3.26Å; D52-N89 WeakPolarHBondContact O-CB 3.39Å; I85-N89 HydrophobicContact CG2-CB 4.07Å; E86-N89 WeakPolarHBondContact O-CB 3.33Å; E86-N89 PolarHBondContact O-N 3.23Å; A87-N89 PolarHBondContact O-N 2.88Å |
| 90 | I | 91.3 | Very high | 87.9 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.9 | 178.6 | -57.1 | 179.5 | 0 | 0 | 0 | 108.9 | K49 C50 I74 F77 A80 I85 A87 N88 F92 | K49-I90 HydrophobicContact CB-CG2 4.42Å; C50-I90 WeakPolarHBondContact O-CA 3.48Å; I74-I90 HydrophobicContact CD1-CD1 3.98Å; I74-I90 HydrophobicContact CD1-CG1 4.32Å; I74-I90 HydrophobicContact CD1-CG2 4.38Å; F77-I90 HydrophobicContact CD1-CD1 3.96Å; F77-I90 HydrophobicContact CE1-CD1 3.69Å; F77-I90 HydrophobicContact CE1-CG2 4.46Å; A80-I90 HydrophobicContact CB-CD1 4.37Å; I85-I90 HydrophobicContact CG2-CD1 4.45Å; I85-I90 HydrophobicContact CG2-CG1 3.95Å; A87-I90 PolarHBondContact O-N 2.91Å; A87-I90 VanDerWaalsContact O-N 3.16Å; N88-I90 VanDerWaalsContact C-N 3.31Å; I90-F92 HydrophobicContact CG2-CE2 4.17Å; I90-F92 HydrophobicContact CG2-CZ 4.33Å |
| 91 | V | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.4 | 177.3 | -171 | 0 | 0 | 0 | 0 | 108.8 | C50 D52 F63 A93 N198 I199 R200 | C50-V91 WeakPolarHBondContact CA-O 3.03Å; C50-V91 HydrophobicContact CB-CB 4.32Å; C50-V91 WeakPolarHBondContact CB-O 3.36Å; C50-V91 PolarHBondContact N-O 3.31Å; C50-V91 PolarHBondContact O-N 3.49Å; D52-V91 HydrophobicContact CB-CG2 4.36Å; F63-V91 HydrophobicContact CD2-CB 4.12Å; F63-V91 HydrophobicContact CD2-CG1 3.94Å; F63-V91 HydrophobicContact CD2-CG2 3.96Å; F63-V91 HydrophobicContact CE2-CB 4.5Å; F63-V91 HydrophobicContact CE2-CG2 3.84Å; F63-V91 HydrophobicContact CG-CB 4.43Å; F63-V91 HydrophobicContact CG-CG1 4.44Å; F63-V91 HydrophobicContact CZ-CG2 4.34Å; V91-A93 PolarHBondContact O-N 2.99Å; V91-N198 HydrophobicContact CG1-CB 3.93Å; V91-I199 CarbonylContact C-O 3.56Å; V91-R200 HydrophobicContact CB-CG 4.35Å; V91-R200 HydrophobicContact CG1-CG 4.16Å; V91-R200 HydrophobicContact CG2-CG 3.87Å |
| 92 | F | 95.1 | Very high | 88.5 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 105.7 | 172.7 | -62.6 | -92.9 | 0 | 0 | 0 | 108.6 | A47 T48 K49 F77 I90 I199 L201 I219 | A47-F92 HydrophobicContact CB-CB 3.88Å; A47-F92 HydrophobicContact CB-CD1 4.41Å; T48-F92 WeakPolarHBondContact O-CA 3.47Å; K49-F92 HydrophobicContact CD-CE1 4.38Å; K49-F92 HydrophobicContact CG-CD1 3.87Å; K49-F92 HydrophobicContact CG-CE1 3.69Å; F77-F92 HydrophobicContact CZ-CE1 4.27Å; F77-F92 AromaticContact CZ-CZ 3.94Å; F77-F92 HydrophobicContact CZ-CZ 3.94Å; I90-F92 HydrophobicContact CG2-CE2 4.17Å; I90-F92 HydrophobicContact CG2-CZ 4.33Å; F92-I199 HydrophobicContact CB-CB 4.12Å; F92-I199 PolarHBondContact N-O 3.21Å; F92-I199 PolarHBondContact O-N 3.42Å; F92-L201 HydrophobicContact CE2-CD1 3.97Å; F92-L201 HydrophobicContact CE2-CG 4.28Å; F92-I219 HydrophobicContact CB-CD1 4.03Å; F92-I219 HydrophobicContact CD1-CB 4.21Å; F92-I219 HydrophobicContact CD1-CD1 3.73Å; F92-I219 HydrophobicContact CD1-CG1 3.84Å; F92-I219 HydrophobicContact CD2-CD1 3.54Å; F92-I219 HydrophobicContact CD2-CG1 4.5Å; F92-I219 HydrophobicContact CE1-CD1 3.95Å; F92-I219 HydrophobicContact CE1-CG1 3.88Å; F92-I219 HydrophobicContact CE2-CD1 3.79Å; F92-I219 HydrophobicContact CG-CD1 3.5Å; F92-I219 HydrophobicContact CG-CG1 4.15Å; F92-I219 HydrophobicContact CZ-CD1 3.96Å; F92-I219 HydrophobicContact CZ-CG1 4.23Å |
| 93 | A | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T48 F63 P65 V91 I197 | T48-A93 PolarHBondContact N-O 3.37Å; T48-A93 PolarHBondContact O-N 2.83Å; F63-A93 HydrophobicContact CB-CB 4.27Å; F63-A93 VanDerWaalsContact O-CB 3.23Å; F63-A93 WeakPolarHBondContact O-CB 3.48Å; P65-A93 HydrophobicContact CB-CB 4.32Å; V91-A93 PolarHBondContact O-N 2.99Å; A93-I197 CarbonylContact C-O 3.58Å; A93-I197 WeakPolarHBondContact CA-O 3.41Å |
| 94 | A | 95.2 | Very high | 89.2 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I197 L221 | A94-I197 PolarHBondContact N-O 2.96Å; A94-I197 PolarHBondContact O-N 3.03Å; A94-L221 HydrophobicContact CB-CD1 3.28Å |
| 95 | H | 94 | Very high | 89.6 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.3 | 178.6 | -178.7 | -72 | 0 | 0 | 0 | 109.3 | Y45 P65 W66 P97 W148 Y194 L196 | Y45-H95 WeakPolarHBondContact CE1-O 2.88Å; P65-H95 HydrophobicContact CG-CB 3.61Å; W66-H95 HydrophobicContact CZ2-CB 4.4Å; W66-H95 AromaticContact CZ2-CD2 3.93Å; W66-H95 AromaticContact CZ2-CE1 3.52Å; W66-H95 AromaticContact CZ2-CG 3.71Å; W66-H95 AromaticContact CZ2-ND1 3.46Å; W66-H95 WeakPolarHBondContact CZ2-ND1 3.03Å; W66-H95 AromaticContact CZ2-NE2 3.8Å; W66-H95 AromaticContact NE1-CG 3.88Å; H95-P97 PolarHBondContact CE1-O 3.01Å; H95-P97 PolarHBondContact ND1-O 2.96Å; H95-P97 CarbonylContact O-C 3.59Å; H95-W148 AromaticContact CD2-CH2 3.72Å; H95-W148 AromaticContact CD2-CZ2 3.76Å; H95-W148 AromaticContact NE2-CH2 3.76Å; H95-W148 AromaticContact NE2-CZ2 3.99Å; H95-Y194 AromaticContact CE1-CD1 3.64Å; H95-L196 HydrophobicContact CB-CD1 4.28Å |
| 96 | I | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.6 | 178.8 | -61.1 | 179.7 | 0 | 0 | 0 | 107.8 | Y45 M103 M110 V112 Y195 I197 | Y45-I96 HydrophobicContact CE1-CG1 4.35Å; Y45-I96 HydrophobicContact CE2-CG1 4.32Å; I96-M103 HydrophobicContact CG2-CE 3.23Å; I96-M110 HydrophobicContact CD1-SD 4.26Å; I96-M110 HydrophobicContact CG2-SD 3.79Å; I96-V112 HydrophobicContact CD1-CG2 4.16Å; I96-Y195 PolarHBondContact N-O 3.18Å; I96-Y195 PolarHBondContact O-N 3.06Å; I96-Y195 VanDerWaalsContact O-O 3.1Å; I96-I197 HydrophobicContact CD1-CD1 3.52Å; I96-I197 HydrophobicContact CG1-CD1 4.39Å |
| 97 | P | 91.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | S | Bend | cis | -84.1 | -179.4 | -0.3 | 38.6 | -35.2 | 0 | 0 | 0 | 111.8 | H95 N101 M103 K193 | H95-P97 PolarHBondContact CE1-O 3.01Å; H95-P97 PolarHBondContact ND1-O 2.96Å; H95-P97 CarbonylContact O-C 3.59Å; P97-N101 HydrophobicContact CB-CB 3.96Å; P97-N101 VanDerWaalsContact CG-C 3.45Å; P97-N101 HydrophobicContact CG-CB 4.03Å; P97-N101 WeakPolarHBondContact CG-O 3.45Å; P97-M103 HydrophobicContact CB-CE 4.03Å; P97-M103 HydrophobicContact CB-CG 4.27Å; P97-M103 HydrophobicContact CB-SD 4.33Å; P97-M103 HydrophobicContact CG-CG 4.13Å; P97-K193 WeakPolarHBondContact CD-O 3.37Å |
| 98 | M | 84.4 | Confident | 90.3 | Very high | 132 Ų | 132 | 44.8 Ų | 44.8 | 65% | 0.65 | 23% | 0.227 | S | C | * | . | trans | -61.4 | 157.4 | 176 | -153.5 | 174.3 | -159 | 0 | 0 | 112.2 | Y45 K100 N101 | Y45-M98 HydrophobicContact CE1-CB 4.34Å; M98-K100 PolarHBondContact O-N 3Å; M98-N101 PolarHBondContact O-N 2.99Å | ||
| 99 | S | 73.9 | Confident | 90.6 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 44% | 0.441 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -11.3 | -163 | 66 | 0 | 0 | 0 | 0 | 119.6 | W66 | W66-S99 VanDerWaalsContact CE2-CB 3.48Å; W66-S99 VanDerWaalsContact CH2-CA 3.47Å; W66-S99 VanDerWaalsContact CH2-CB 3.46Å; W66-S99 VanDerWaalsContact CZ2-CB 3.41Å |
| 100 | K | 79.8 | Confident | 90.8 | Very high | 195 Ų | 195 | 41 Ų | 41 | 85% | 0.848 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -4.9 | 179.6 | -64.3 | -175.7 | 178.2 | -179 | 0 | 113.9 | M98 | M98-K100 PolarHBondContact O-N 3Š|
| 101 | N | 88.5 | Confident | 91 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | trans | -112.7 | 164.4 | -173.6 | -63.4 | -21.1 | 0 | 0 | 0 | 110.1 | P97 M98 Y194 | P97-N101 HydrophobicContact CB-CB 3.96Å; P97-N101 VanDerWaalsContact CG-C 3.45Å; P97-N101 HydrophobicContact CG-CB 4.03Å; P97-N101 WeakPolarHBondContact CG-O 3.45Å; M98-N101 PolarHBondContact O-N 2.99Å; N101-Y194 WeakPolarHBondContact O-CE1 3.39Å | ||
| 102 | E | 92.3 | Very high | 91 | Very high | 103 Ų | 103 | 42.9 Ų | 42.9 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | trans | -129 | 144.7 | 170.1 | 58.6 | -179.7 | -178.3 | 0 | 0 | 109.4 | K193 Y194 | E102-K193 HydrophobicContact CB-CB 4.4Å; E102-K193 WeakPolarHBondContact OE2-CD 3.3Å; E102-K193 WeakPolarHBondContact OE2-CE 3.29Å; E102-K193 IonicContact OE2-NZ 2.81Å; E102-K193 PolarHBondContact OE2-NZ 3.05Å; E102-Y194 HydrophobicContact CB-CE1 4.31Å | ||
| 103 | M | 93 | Very high | 91 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | trans | -76.5 | 156.7 | 168.8 | -72.7 | -57.9 | -171.5 | 0 | 0 | 109.9 | I96 P97 F107 V190 K193 Y195 | I96-M103 HydrophobicContact CG2-CE 3.23Å; P97-M103 HydrophobicContact CB-CE 4.03Å; P97-M103 HydrophobicContact CB-CG 4.27Å; P97-M103 HydrophobicContact CB-SD 4.33Å; P97-M103 HydrophobicContact CG-CG 4.13Å; M103-F107 HydrophobicContact CB-CD2 4.39Å; M103-F107 HydrophobicContact SD-CD2 3.45Å; M103-F107 WeakPolarHBondContact SD-CD2 3.32Å; M103-F107 HydrophobicContact SD-CE2 3.6Å; M103-V190 HydrophobicContact CB-CG1 3.73Å; M103-V190 HydrophobicContact CG-CG1 4.25Å; M103-K193 WeakPolarHBondContact CB-O 3.22Å; M103-K193 PolarHBondContact N-O 2.88Å; M103-Y195 HydrophobicContact CB-CE2 4.36Å; M103-Y195 HydrophobicContact CG-CD2 4.41Å; M103-Y195 HydrophobicContact CG-CE2 4.5Å | ||
| 104 | S | 92.8 | Very high | 91 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | trans | -137.1 | 152.2 | 178.1 | 71.9 | 0 | 0 | 0 | 0 | 111.2 | W106 F107 V190 | S104-W106 PolarHBondContact O-N 2.88Å; S104-F107 WeakPolarHBondContact O-CB 3.35Å; S104-F107 PolarHBondContact O-N 2.82Å; S104-V190 CarbonylContact C-O 3.56Å | ||
| 105 | P | 92.6 | Very high | 91 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -57.2 | -17.8 | 174.4 | -27.1 | 35.9 | 0 | 0 | 0 | 114.8 | F107 Q108 V190 V289 | P105-F107 PolarHBondContact O-N 3.07Å; P105-Q108 PolarHBondContact O-N 3.24Å; P105-V190 WeakPolarHBondContact CA-O 3.3Å; P105-V289 HydrophobicContact CB-CG1 4.39Å |
| 106 | W | 93 | Very high | 91 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -65.6 | -19 | 174.5 | -64.3 | 105.2 | 0 | 0 | 0 | 113.9 | S104 Q108 T231 Q232 F235 W286 V289 | S104-W106 PolarHBondContact O-N 2.88Å; W106-Q108 PolarHBondContact O-N 3.21Å; W106-T231 HydrophobicContact CE3-CG2 4.2Å; W106-T231 VanDerWaalsContact O-CB 3.23Å; W106-T231 WeakPolarHBondContact O-CB 3.43Å; W106-T231 WeakPolarHBondContact O-CG2 3.27Å; W106-T231 PolarHBondContact O-OG1 3.46Å; W106-Q232 HydrophobicContact CD2-CG 4.11Å; W106-Q232 HydrophobicContact CE3-CG 3.58Å; W106-Q232 HydrophobicContact CH2-CG 3.94Å; W106-Q232 HydrophobicContact CZ2-CG 4.44Å; W106-Q232 HydrophobicContact CZ3-CB 4.49Å; W106-Q232 HydrophobicContact CZ3-CG 3.49Å; W106-Q232 VanDerWaalsContact CZ3-CG 3.49Å; W106-F235 HydrophobicContact CZ3-CD2 4.13Å; W106-F235 HydrophobicContact CZ3-CE2 4.31Å; W106-W286 HydrophobicContact CH2-CH2 4.24Å; W106-W286 AromaticContact CH2-CZ3 3.74Å; W106-W286 HydrophobicContact CH2-CZ3 3.74Å; W106-W286 HydrophobicContact CZ3-CZ3 4.28Å; W106-V289 HydrophobicContact CE3-CG2 4.23Å; W106-V289 HydrophobicContact CH2-CG2 4.37Å; W106-V289 HydrophobicContact CZ2-CG1 4.21Å; W106-V289 HydrophobicContact CZ3-CG2 4.15Å |
| 107 | F | 91.3 | Very high | 91 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -77 | -7.3 | 179 | -59.5 | -29.3 | 0 | 0 | 0 | 113.6 | M103 S104 P105 F109 V190 H225 Q226 | M103-F107 HydrophobicContact CB-CD2 4.39Å; M103-F107 HydrophobicContact SD-CD2 3.45Å; M103-F107 WeakPolarHBondContact SD-CD2 3.32Å; M103-F107 HydrophobicContact SD-CE2 3.6Å; S104-F107 WeakPolarHBondContact O-CB 3.35Å; S104-F107 PolarHBondContact O-N 2.82Å; P105-F107 PolarHBondContact O-N 3.07Å; F107-F109 PolarHBondContact O-N 3.48Å; F107-F109 VanDerWaalsContact O-O 3.06Å; F107-V190 HydrophobicContact CB-CB 4.42Å; F107-V190 HydrophobicContact CB-CG2 4.24Å; F107-H225 HydrophobicContact CB-CB 4.16Å; F107-H225 AromaticContact CD1-ND1 3.88Å; F107-H225 AromaticContact CG-ND1 3.74Å; F107-Q226 WeakPolarHBondContact CA-O 3.44Å; F107-Q226 WeakPolarHBondContact CD1-O 3.15Å; F107-Q226 WeakPolarHBondContact O-CB 3.43Å; F107-Q226 PolarHBondContact O-N 2.97Å |
| 108 | Q | 89.6 | Confident | 91.1 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | trans | 54.2 | -54.3 | 175.4 | -51.9 | -151.2 | -96.8 | 0 | 0 | 116.1 | P105 W106 G188 S189 T231 | P105-Q108 PolarHBondContact O-N 3.24Å; W106-Q108 PolarHBondContact O-N 3.21Å; Q108-G188 CarbonylContact O-C 3.56Å; Q108-G188 VanDerWaalsContact O-O 3.14Å; Q108-S189 WeakPolarHBondContact O-CA 3.34Å; Q108-S189 PolarHBondContact O-N 2.87Å; Q108-T231 HydrophobicContact CG-CG2 3.57Å | ||
| 109 | F | 93.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | trans | -132.9 | 157.9 | 177.7 | 67.8 | -91.5 | 0 | 0 | 0 | 111.2 | T40 F107 V187 H225 Q226 L297 | T40-F109 HydrophobicContact CG2-CZ 4.08Å; F107-F109 PolarHBondContact O-N 3.48Å; F107-F109 VanDerWaalsContact O-O 3.06Å; F109-V187 CarbonylContact C-O 3.35Å; F109-V187 VanDerWaalsContact CA-O 3.26Å; F109-V187 WeakPolarHBondContact CA-O 3.34Å; F109-H225 WeakPolarHBondContact O-CA 3.32Å; F109-H225 WeakPolarHBondContact O-CB 3.29Å; F109-Q226 HydrophobicContact CD1-CB 4.05Å; F109-Q226 HydrophobicContact CE1-CB 3.63Å; F109-Q226 HydrophobicContact CE1-CG 4.09Å; F109-Q226 HydrophobicContact CZ-CB 4.21Å; F109-L297 HydrophobicContact CB-CD1 4.03Å; F109-L297 HydrophobicContact CB-CD2 3.78Å; F109-L297 HydrophobicContact CB-CG 4.36Å; F109-L297 HydrophobicContact CG-CD2 4.28Å | ||
| 110 | M | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 114.4 | 172.1 | 179.8 | 177.9 | 66.5 | 0 | 0 | 108.8 | I96 V112 M185 V187 V190 Y195 | I96-M110 HydrophobicContact CD1-SD 4.26Å; I96-M110 HydrophobicContact CG2-SD 3.79Å; M110-V112 HydrophobicContact CG-CG2 4.17Å; M110-M185 HydrophobicContact CE-SD 4.23Å; M110-V187 HydrophobicContact CE-CG2 4.18Å; M110-V187 PolarHBondContact N-O 3.02Å; M110-V187 PolarHBondContact O-N 3.36Å; M110-V190 HydrophobicContact CB-CG2 3.89Å; M110-Y195 HydrophobicContact CE-CD1 4.35Å; M110-Y195 HydrophobicContact CE-CD2 4.5Å; M110-Y195 HydrophobicContact CE-CG 4.26Å |
| 111 | L | 94.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.6 | 172.1 | -173.9 | 151 | 0 | 0 | 0 | 108.3 | I113 M185 S223 I224 | L111-I113 HydrophobicContact CD2-CD1 3.9Å; L111-I113 HydrophobicContact CD2-CG1 3.43Å; L111-I113 VanDerWaalsContact CD2-CG1 3.43Å; L111-M185 CarbonylContact C-O 3.54Å; L111-M185 WeakPolarHBondContact CA-O 3.29Å; L111-S223 CarbonylContact O-C 3.33Å; L111-S223 WeakPolarHBondContact O-CA 3.41Å; L111-I224 HydrophobicContact CB-CB 4.43Å; L111-I224 HydrophobicContact CD2-CD1 4.23Å; L111-I224 PolarHBondContact N-O 3.32Å; L111-I224 PolarHBondContact O-N 2.88Å |
| 112 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.7 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | I96 M110 F184 M185 L221 V222 | I96-V112 HydrophobicContact CD1-CG2 4.16Å; M110-V112 HydrophobicContact CG-CG2 4.17Å; V112-F184 HydrophobicContact CB-CD1 4.23Å; V112-F184 HydrophobicContact CG1-CD1 3.99Å; V112-F184 VanDerWaalsContact O-CB 3.3Å; V112-F184 WeakPolarHBondContact O-CB 3.33Å; V112-F184 PolarHBondContact O-N 2.85Å; V112-F184 VanDerWaalsContact O-N 3.13Å; V112-M185 HydrophobicContact CB-CB 4.15Å; V112-M185 HydrophobicContact CG2-CB 4.45Å; V112-M185 HydrophobicContact CG2-CE 4.44Å; V112-M185 HydrophobicContact CG2-SD 4.37Å; V112-M185 PolarHBondContact N-O 3.23Å; V112-M185 PolarHBondContact O-N 2.92Å; V112-M185 VanDerWaalsContact O-N 3.11Å; V112-L221 HydrophobicContact CG1-CB 4.12Å; V112-L221 HydrophobicContact CG1-CD2 3.69Å; V112-L221 HydrophobicContact CG1-CG 4.49Å; V112-V222 WeakPolarHBondContact CA-O 3.05Å |
| 113 | I | 94.5 | Very high | 92.4 | Very high | 40 Ų | 40 | 33.8 Ų | 33.8 | 21% | 0.205 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.4 | 175.6 | -54.8 | 178.3 | 0 | 0 | 0 | 107.9 | L111 P181 L182 L221 V222 I224 | L111-I113 HydrophobicContact CD2-CD1 3.9Å; L111-I113 HydrophobicContact CD2-CG1 3.43Å; L111-I113 VanDerWaalsContact CD2-CG1 3.43Å; I113-P181 HydrophobicContact CG2-CB 3.61Å; I113-L182 WeakPolarHBondContact CG2-O 3.06Å; I113-L221 CarbonylContact O-C 3.52Å; I113-L221 WeakPolarHBondContact O-CA 3.32Å; I113-V222 HydrophobicContact CB-CB 4.4Å; I113-V222 PolarHBondContact N-O 3.03Å; I113-V222 PolarHBondContact O-N 3.24Å; I113-I224 HydrophobicContact CD1-CD1 3.88Å |
| 114 | L | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.5 | 178.6 | -170.5 | 77.7 | 0 | 0 | 0 | 110 | F116 I134 L182 F184 I199 I219 L221 | L114-F116 HydrophobicContact CD2-CD2 4.27Å; L114-F116 HydrophobicContact CD2-CE1 4.29Å; L114-F116 HydrophobicContact CD2-CE2 3.41Å; L114-F116 VanDerWaalsContact CD2-CE2 3.41Å; L114-F116 HydrophobicContact CD2-CZ 3.43Å; L114-F116 VanDerWaalsContact CD2-CZ 3.43Å; L114-F116 HydrophobicContact CG-CE2 4.14Å; L114-F116 HydrophobicContact CG-CZ 4.26Å; L114-I134 HydrophobicContact CD2-CD1 3.56Å; L114-L182 HydrophobicContact CB-CB 4.29Å; L114-L182 HydrophobicContact CD2-CD1 4.47Å; L114-L182 PolarHBondContact N-O 3.18Å; L114-L182 PolarHBondContact O-N 2.79Å; L114-F184 HydrophobicContact CB-CB 3.87Å; L114-F184 HydrophobicContact CB-CD2 4.29Å; L114-F184 HydrophobicContact CB-CG 4.16Å; L114-F184 HydrophobicContact CD2-CD2 4.11Å; L114-F184 HydrophobicContact CD2-CE2 4.46Å; L114-I199 HydrophobicContact CD1-CD1 4.02Å; L114-I219 HydrophobicContact CD1-CG2 3.24Å; L114-I219 HydrophobicContact CG-CG2 4.16Å; L114-L221 HydrophobicContact CB-CD2 4.5Å; L114-L221 HydrophobicContact CD1-CD2 3.37Å; L114-L221 HydrophobicContact CD1-CG 4.15Å |
| 115 | Q | 94.5 | Very high | 91.8 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 33% | 0.327 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.2 | 174.4 | -71 | 177 | -12.9 | 0 | 0 | 109 | P181 R220 | Q115-P181 HydrophobicContact CG-CB 4.29Å; Q115-R220 HydrophobicContact CB-CB 4.17Å; Q115-R220 PolarHBondContact N-O 2.76Å; Q115-R220 PolarHBondContact O-N 2.98Å |
| 116 | F | 94 | Very high | 91.8 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.5 | 176.8 | -72.1 | -74.1 | 0 | 0 | 0 | 110.5 | L114 I118 V132 I134 L160 L182 L201 I216 I219 | L114-F116 HydrophobicContact CD2-CD2 4.27Å; L114-F116 HydrophobicContact CD2-CE1 4.29Å; L114-F116 HydrophobicContact CD2-CE2 3.41Å; L114-F116 VanDerWaalsContact CD2-CE2 3.41Å; L114-F116 HydrophobicContact CD2-CZ 3.43Å; L114-F116 VanDerWaalsContact CD2-CZ 3.43Å; L114-F116 HydrophobicContact CG-CE2 4.14Å; L114-F116 HydrophobicContact CG-CZ 4.26Å; F116-I118 HydrophobicContact CB-CD1 4.07Å; F116-I118 HydrophobicContact CB-CG1 3.78Å; F116-I118 PolarHBondContact O-N 2.98Å; F116-V132 HydrophobicContact CE2-CG1 3.87Å; F116-V132 HydrophobicContact CZ-CG1 4.22Å; F116-V132 HydrophobicContact CZ-CG2 4.11Å; F116-I134 HydrophobicContact CE2-CD1 4.37Å; F116-I134 HydrophobicContact CZ-CD1 4.05Å; F116-L160 HydrophobicContact CD2-CD2 3.82Å; F116-L160 HydrophobicContact CE2-CD2 4.19Å; F116-L182 HydrophobicContact CD2-CD1 3.64Å; F116-L182 HydrophobicContact CE2-CD1 3.49Å; F116-L182 VanDerWaalsContact CE2-CD1 3.49Å; F116-L201 HydrophobicContact CE1-CD1 4.32Å; F116-I216 HydrophobicContact CD1-CD1 4.03Å; F116-I216 HydrophobicContact CD1-CG1 4.37Å; F116-I216 HydrophobicContact CD1-CG2 3.95Å; F116-I216 HydrophobicContact CE1-CD1 4.11Å; F116-I219 HydrophobicContact CD1-CD1 4.19Å; F116-I219 HydrophobicContact CD1-CG1 3.81Å; F116-I219 HydrophobicContact CE1-CD1 3.61Å; F116-I219 HydrophobicContact CE1-CG1 3.77Å |
| 117 | D | 93.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 96.1 | 167.9 | -72 | -15.6 | 0 | 0 | 0 | 107.8 | Y176 R217 D218 R220 | D117-Y176 HydrophobicContact CB-CD1 4.23Å; D117-Y176 HydrophobicContact CB-CE1 4.09Å; D117-R217 WeakPolarHBondContact O-CB 3.49Å; D117-R217 PolarHBondContact O-N 3.46Å; D117-D218 HydrophobicContact CB-CB 4.17Å; D117-D218 PolarHBondContact N-O 3.5Å; D117-R220 IonicContact OD1-CZ 3.54Å; D117-R220 IonicContact OD1-NE 3.2Å; D117-R220 IonicContact OD1-NH2 2.71Å; D117-R220 IonicContact OD2-CZ 3.24Å; D117-R220 IonicContact OD2-NE 3.76Å; D117-R220 PolarHBondContact OD2-NE 2.81Å; D117-R220 IonicContact OD2-NH2 3.82Å; D117-R220 PolarHBondContact OD2-NH2 3.47Å |
| 118 | I | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.8 | -177.9 | -47.7 | -177.1 | 0 | 0 | 0 | 109.6 | F116 I126 L160 Y176 Y177 I216 | F116-I118 HydrophobicContact CB-CD1 4.07Å; F116-I118 HydrophobicContact CB-CG1 3.78Å; F116-I118 PolarHBondContact O-N 2.98Å; I118-I126 HydrophobicContact CB-CD1 4.43Å; I118-I126 HydrophobicContact CD1-CD1 3.87Å; I118-I126 HydrophobicContact CG2-CD1 4Å; I118-I126 HydrophobicContact CG2-CG1 4.31Å; I118-L160 HydrophobicContact CD1-CD1 4.3Å; I118-L160 HydrophobicContact CD1-CD2 4.44Å; I118-Y176 CarbonylContact O-C 3.49Å; I118-Y176 VanDerWaalsContact O-CA 3.28Å; I118-Y176 WeakPolarHBondContact O-CA 3.4Å; I118-Y177 HydrophobicContact CB-CD2 4.24Å; I118-Y177 HydrophobicContact CG2-CD2 4.06Å; I118-Y177 PolarHBondContact O-N 2.91Å; I118-I216 HydrophobicContact CD1-CG1 4.42Å; I118-I216 HydrophobicContact CG1-CG1 4.13Å |
| 119 | A | 92.3 | Very high | 91 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y176 E215 R217 | A119-Y176 HydrophobicContact CB-CD1 4.47Å; A119-Y176 HydrophobicContact CB-CE1 4.44Å; A119-E215 PolarHBondContact N-O 3.37Å; A119-R217 HydrophobicContact CB-CG 3.72Å |
| 120 | F | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 129.7 | 173.2 | 175.5 | -107 | 0 | 0 | 0 | 111.4 | M122 Q125 F164 K168 E173 G174 R175 Y177 | F120-M122 HydrophobicContact CE1-CG 4.42Å; F120-M122 HydrophobicContact CE1-SD 4.18Å; F120-M122 HydrophobicContact CZ-CG 4.41Å; F120-M122 HydrophobicContact CZ-SD 3.78Å; F120-Q125 HydrophobicContact CE2-CG 4.01Å; F120-F164 HydrophobicContact CB-CD2 3.96Å; F120-F164 HydrophobicContact CB-CE2 3.43Å; F120-F164 VanDerWaalsContact CB-CE2 3.43Å; F120-F164 HydrophobicContact CB-CZ 3.75Å; F120-F164 AromaticContact CD1-CE1 3.88Å; F120-F164 HydrophobicContact CD1-CE1 3.88Å; F120-F164 HydrophobicContact CD1-CE2 4.23Å; F120-F164 AromaticContact CD1-CZ 3.61Å; F120-F164 HydrophobicContact CD1-CZ 3.61Å; F120-F164 HydrophobicContact CD2-CD1 4.37Å; F120-F164 HydrophobicContact CD2-CD2 4.49Å; F120-F164 HydrophobicContact CD2-CE1 4.33Å; F120-F164 HydrophobicContact CD2-CE2 4.46Å; F120-F164 HydrophobicContact CD2-CG 4.45Å; F120-F164 HydrophobicContact CD2-CZ 4.37Å; F120-F164 HydrophobicContact CE1-CE1 4.19Å; F120-F164 HydrophobicContact CE1-CZ 4.35Å; F120-F164 HydrophobicContact CG-CD1 4.4Å; F120-F164 HydrophobicContact CG-CD2 4.24Å; F120-F164 AromaticContact CG-CE1 3.97Å; F120-F164 HydrophobicContact CG-CE1 3.97Å; F120-F164 AromaticContact CG-CE2 3.79Å; F120-F164 HydrophobicContact CG-CE2 3.79Å; F120-F164 AromaticContact CG-CZ 3.63Å; F120-F164 HydrophobicContact CG-CZ 3.63Å; F120-K168 HydrophobicContact CE1-CB 4.45Å; F120-K168 HydrophobicContact CE2-CB 4.35Å; F120-K168 HydrophobicContact CE2-CD 4.23Å; F120-K168 HydrophobicContact CE2-CG 3.96Å; F120-K168 HydrophobicContact CZ-CB 3.74Å; F120-K168 HydrophobicContact CZ-CD 4.4Å; F120-K168 HydrophobicContact CZ-CG 3.85Å; F120-E173 HydrophobicContact CD1-CG 4.49Å; F120-E173 HydrophobicContact CE1-CG 4.46Å; F120-G174 PolarHBondContact O-N 2.99Å; F120-R175 WeakPolarHBondContact CB-O 3.41Å; F120-R175 PolarHBondContact N-O 2.97Å; F120-Y177 HydrophobicContact CB-CD2 4.33Å; F120-Y177 HydrophobicContact CB-CE2 3.88Å; F120-Y177 AromaticContact CD2-CE2 3.94Å; F120-Y177 HydrophobicContact CD2-CE2 3.94Å; F120-Y177 AromaticContact CD2-CZ 3.8Å; F120-Y177 WeakPolarHBondContact CD2-OH 3.43Å; F120-Y177 HydrophobicContact CG-CE2 4.43Å |
| 121 | K | 89.9 | Confident | 90.8 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | trans | -137.6 | 141.2 | 170.6 | -75.1 | -168.9 | 157 | 176 | 0 | 110.1 | Y123 N124 Q125 E215 | K121-Y123 VanDerWaalsContact C-N 3.29Å; K121-Y123 HydrophobicContact CB-CD1 4.29Å; K121-Y123 HydrophobicContact CB-CE1 4.09Å; K121-Y123 HydrophobicContact CD-CE1 3.64Å; K121-Y123 HydrophobicContact CD-CE2 4.43Å; K121-Y123 VanDerWaalsContact CD-OH 3.26Å; K121-Y123 WeakPolarHBondContact CD-OH 3.13Å; K121-Y123 HydrophobicContact CG-CE1 4.33Å; K121-Y123 PolarHBondContact NZ-OH 2.88Å; K121-Y123 PolarHBondContact O-N 2.93Å; K121-N124 CarbonylContact O-C 3.58Å; K121-N124 PolarHBondContact O-N 3.26Å; K121-Q125 WeakPolarHBondContact O-CG 3.31Å; K121-E215 HydrophobicContact CD-CB 4.36Å; K121-E215 VanDerWaalsContact CD-OE2 3.23Å; K121-E215 WeakPolarHBondContact CD-OE2 3.35Å; K121-E215 VanDerWaalsContact CE-CD 3.47Å; K121-E215 WeakPolarHBondContact CE-OE1 3.31Å; K121-E215 WeakPolarHBondContact CE-OE2 3.29Å; K121-E215 VanDerWaalsContact NZ-CD 3.3Å; K121-E215 IonicContact NZ-OE1 3.73Å; K121-E215 PolarHBondContact NZ-OE1 3.38Å; K121-E215 IonicContact NZ-OE2 3.22Å; K121-E215 PolarHBondContact NZ-OE2 2.89Å | ||
| 122 | M | 85.8 | Confident | 90.7 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.9 | -176.4 | -77.6 | -69 | -134.3 | 0 | 0 | 113.1 | F120 Q125 K168 I170 E173 | F120-M122 HydrophobicContact CE1-CG 4.42Å; F120-M122 HydrophobicContact CE1-SD 4.18Å; F120-M122 HydrophobicContact CZ-CG 4.41Å; F120-M122 HydrophobicContact CZ-SD 3.78Å; M122-Q125 PolarHBondContact O-NE2 3.07Å; M122-K168 WeakPolarHBondContact CE-O 3.18Å; M122-I170 HydrophobicContact CE-CG1 4.02Å; M122-I170 HydrophobicContact CG-CG1 4.39Å; M122-E173 WeakPolarHBondContact CB-OE1 3.43Å; M122-E173 HydrophobicContact CG-CG 4.27Å; M122-E173 WeakPolarHBondContact CG-OE1 3.43Å; M122-E173 PolarHBondContact N-OE1 3.31Å |
| 123 | Y | 86.1 | Confident | 90.7 | Very high | 171 Ų | 171 | 49.5 Ų | 49.5 | 67% | 0.671 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -15.9 | -176.1 | 66.1 | -94.6 | 0 | 0 | 0 | 114.3 | K121 | K121-Y123 VanDerWaalsContact C-N 3.29Å; K121-Y123 HydrophobicContact CB-CD1 4.29Å; K121-Y123 HydrophobicContact CB-CE1 4.09Å; K121-Y123 HydrophobicContact CD-CE1 3.64Å; K121-Y123 HydrophobicContact CD-CE2 4.43Å; K121-Y123 VanDerWaalsContact CD-OH 3.26Å; K121-Y123 WeakPolarHBondContact CD-OH 3.13Å; K121-Y123 HydrophobicContact CG-CE1 4.33Å; K121-Y123 PolarHBondContact NZ-OH 2.88Å; K121-Y123 PolarHBondContact O-N 2.93Å |
| 124 | N | 86.9 | Confident | 90.7 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -134.6 | 73.5 | -177.8 | -173.6 | 22.3 | 0 | 0 | 0 | 109.5 | K121 G214 | K121-N124 CarbonylContact O-C 3.58Å; K121-N124 PolarHBondContact O-N 3.26Å; N124-G214 VanDerWaalsContact ND2-C 3.34Å; N124-G214 PolarHBondContact ND2-O 3.27Å |
| 125 | Q | 88.3 | Confident | 90.7 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -84.9 | 157.8 | 175.9 | -59.8 | -174.5 | 29.9 | 0 | 0 | 110.2 | F120 K121 M122 E127 | F120-Q125 HydrophobicContact CE2-CG 4.01Å; K121-Q125 WeakPolarHBondContact O-CG 3.31Å; M122-Q125 PolarHBondContact O-NE2 3.07Å; Q125-E127 PolarHBondContact O-N 3.48Å |
| 126 | I | 90.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 124.3 | 170.9 | -55.8 | 175.4 | 0 | 0 | 0 | 108.3 | I118 A130 C162 Y177 G212 | I118-I126 HydrophobicContact CB-CD1 4.43Å; I118-I126 HydrophobicContact CD1-CD1 3.87Å; I118-I126 HydrophobicContact CG2-CD1 4Å; I118-I126 HydrophobicContact CG2-CG1 4.31Å; I126-A130 HydrophobicContact CG2-CB 3.71Å; I126-C162 HydrophobicContact CD1-CB 3.55Å; I126-Y177 HydrophobicContact CD1-CD1 3.82Å; I126-Y177 HydrophobicContact CD1-CD2 3.82Å; I126-Y177 HydrophobicContact CD1-CE1 3.9Å; I126-Y177 HydrophobicContact CD1-CE2 3.91Å; I126-Y177 HydrophobicContact CD1-CG 3.76Å; I126-Y177 HydrophobicContact CG1-CD2 4.43Å; I126-Y177 HydrophobicContact CG1-CE1 4.3Å; I126-Y177 HydrophobicContact CG1-CE2 4.04Å; I126-G212 CarbonylContact C-O 3.58Å; I126-G212 WeakPolarHBondContact CA-O 3.26Å |
| 127 | E | 89.1 | Confident | 90.7 | Very high | 121 Ų | 121 | 44.8 Ų | 44.8 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | P | Polyproline II helix | trans | -67.7 | 150.1 | 173.5 | -70.9 | -175.7 | -176.3 | 0 | 0 | 111.1 | Q125 G129 A130 G212 | Q125-E127 PolarHBondContact O-N 3.48Å; E127-G129 PolarHBondContact O-N 3.37Å; E127-A130 VanDerWaalsContact O-CB 3.29Å; E127-A130 WeakPolarHBondContact O-CB 3.47Å; E127-A130 PolarHBondContact O-N 3.21Å; E127-A130 VanDerWaalsContact O-N 3.11Å; E127-G212 PolarHBondContact N-O 2.85Å |
| 128 | E | 85.2 | Confident | 90.8 | Very high | 206 Ų | 206 | 43.7 Ų | 43.7 | 96% | 0.963 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 124.4 | 177.7 | -167 | 172.8 | -170.2 | 0 | 0 | 110 | ||
| 129 | G | 84.2 | Confident | 90.8 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 63% | 0.629 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 25.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E127 V131 | E127-G129 PolarHBondContact O-N 3.37Å; G129-V131 PolarHBondContact O-N 2.64Å |
| 130 | A | 90.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | trans | -55.7 | 131.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I126 E127 L160 I213 | I126-A130 HydrophobicContact CG2-CB 3.71Å; E127-A130 VanDerWaalsContact O-CB 3.29Å; E127-A130 WeakPolarHBondContact O-CB 3.47Å; E127-A130 PolarHBondContact O-N 3.21Å; E127-A130 VanDerWaalsContact O-N 3.11Å; A130-L160 HydrophobicContact CB-CB 4.46Å; A130-L160 PolarHBondContact O-N 3.36Å; A130-I213 HydrophobicContact CB-CG2 4.47Å | ||
| 131 | V | 91.4 | Very high | 91 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.6 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | G129 H157 R158 N159 | G129-V131 PolarHBondContact O-N 2.64Å; V131-H157 HydrophobicContact CG1-CB 3.99Å; V131-R158 CarbonylContact C-O 3.58Å; V131-R158 WeakPolarHBondContact CA-O 3.36Å; V131-N159 WeakPolarHBondContact CG2-OD1 3.3Å |
| 132 | V | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.2 | 171 | 66.1 | 0 | 0 | 0 | 0 | 109.6 | F116 I134 H157 R158 L160 L201 N210 I213 | F116-V132 HydrophobicContact CE2-CG1 3.87Å; F116-V132 HydrophobicContact CZ-CG1 4.22Å; F116-V132 HydrophobicContact CZ-CG2 4.11Å; V132-I134 HydrophobicContact CG1-CD1 4.11Å; V132-I134 HydrophobicContact CG1-CG1 4.16Å; V132-I134 HydrophobicContact CG2-CG1 3.99Å; V132-H157 WeakPolarHBondContact O-CA 3.47Å; V132-R158 HydrophobicContact CG1-CB 3.82Å; V132-R158 WeakPolarHBondContact CG1-O 3.18Å; V132-R158 PolarHBondContact N-O 3.41Å; V132-R158 PolarHBondContact O-N 3.34Å; V132-L160 HydrophobicContact CB-CD1 4.05Å; V132-L160 HydrophobicContact CB-CD2 4.47Å; V132-L160 HydrophobicContact CB-CG 4.15Å; V132-L160 HydrophobicContact CG1-CD1 4.46Å; V132-L160 HydrophobicContact CG1-CD2 4.01Å; V132-L160 HydrophobicContact CG1-CG 4.05Å; V132-L201 HydrophobicContact CG2-CD2 3.8Å; V132-N210 WeakPolarHBondContact CA-OD1 3.38Å; V132-I213 HydrophobicContact CG2-CD1 4.28Å |
| 133 | T | 94.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.2 | 171.5 | -58.1 | 0 | 0 | 0 | 0 | 108.7 | E156 H157 V209 N210 | T133-E156 CarbonylContact C-O 3.56Å; T133-E156 WeakPolarHBondContact CA-O 3.39Å; T133-H157 PolarHBondContact OG1-ND1 2.95Å; T133-V209 HydrophobicContact CG2-CG1 4Å; T133-N210 PolarHBondContact N-OD1 3.29Å; T133-N210 PolarHBondContact O-ND2 3.02Å; T133-N210 PolarHBondContact O-OD1 2.98Å |
| 134 | I | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.7 | -172.3 | -51 | 177.8 | 0 | 0 | 0 | 107.5 | L114 F116 V132 V136 F155 E156 R158 F184 I199 L201 | L114-I134 HydrophobicContact CD2-CD1 3.56Å; F116-I134 HydrophobicContact CE2-CD1 4.37Å; F116-I134 HydrophobicContact CZ-CD1 4.05Å; V132-I134 HydrophobicContact CG1-CD1 4.11Å; V132-I134 HydrophobicContact CG1-CG1 4.16Å; V132-I134 HydrophobicContact CG2-CG1 3.99Å; I134-V136 HydrophobicContact CG2-CB 4.39Å; I134-F155 WeakPolarHBondContact O-CA 3.41Å; I134-E156 HydrophobicContact CB-CB 4.48Å; I134-E156 PolarHBondContact N-O 3.36Å; I134-E156 PolarHBondContact O-N 3.09Å; I134-R158 HydrophobicContact CD1-CG 4.24Å; I134-F184 HydrophobicContact CG2-CE2 4.26Å; I134-I199 HydrophobicContact CG2-CG2 3.55Å; I134-L201 HydrophobicContact CG1-CD2 4.1Å; I134-L201 HydrophobicContact CG2-CD2 4.45Å |
| 135 | D | 94.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 109.6 | 170.1 | 175.6 | 28.3 | 0 | 0 | 0 | 107.7 | H153 F155 R200 P202 | D135-H153 IonicContact OD1-CE1 3.85Å; D135-H153 PolarHBondContact OD1-CE1 3.36Å; D135-H153 VanDerWaalsContact OD1-CE1 3.25Å; D135-H153 IonicContact OD1-NE2 2.77Å; D135-H153 PolarHBondContact OD1-NE2 2.88Å; D135-F155 HydrophobicContact CB-CD1 3.78Å; D135-F155 HydrophobicContact CB-CE1 3.53Å; D135-F155 HydrophobicContact CB-CZ 4.38Å; D135-F155 VanDerWaalsContact CG-CE1 3.46Å; D135-R200 HydrophobicContact CB-CB 3.93Å; D135-R200 PolarHBondContact N-O 3.37Å; D135-R200 PolarHBondContact O-N 3.4Å; D135-P202 HydrophobicContact CB-CG 4.19Å |
| 136 | V | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.7 | -170.9 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | I134 H153 S154 E156 F184 I197 N198 I199 F365 | I134-V136 HydrophobicContact CG2-CB 4.39Å; V136-H153 VanDerWaalsContact O-CA 3.31Å; V136-H153 WeakPolarHBondContact O-CA 3.3Å; V136-S154 WeakPolarHBondContact CG1-O 3.28Å; V136-S154 PolarHBondContact N-O 2.78Å; V136-S154 PolarHBondContact O-N 2.8Å; V136-E156 HydrophobicContact CG1-CG 4.07Å; V136-F184 HydrophobicContact CB-CE2 4.45Å; V136-F184 HydrophobicContact CB-CZ 4.15Å; V136-F184 HydrophobicContact CG2-CE1 4.27Å; V136-F184 HydrophobicContact CG2-CE2 4.25Å; V136-F184 HydrophobicContact CG2-CZ 3.49Å; V136-F184 VanDerWaalsContact CG2-CZ 3.49Å; V136-I197 HydrophobicContact CG2-CG2 4.24Å; V136-N198 WeakPolarHBondContact CA-O 3.43Å; V136-I199 HydrophobicContact CG2-CG1 4.15Å; V136-F365 HydrophobicContact CB-CE1 4.13Å; V136-F365 HydrophobicContact CB-CZ 4.21Å; V136-F365 HydrophobicContact CG1-CD1 3.75Å; V136-F365 HydrophobicContact CG1-CD2 3.94Å; V136-F365 HydrophobicContact CG1-CE1 3.63Å; V136-F365 HydrophobicContact CG1-CE2 3.86Å; V136-F365 HydrophobicContact CG1-CG 3.87Å; V136-F365 HydrophobicContact CG1-CZ 3.7Å; V136-F365 HydrophobicContact CG2-CD1 4.18Å; V136-F365 HydrophobicContact CG2-CE1 3.33Å; V136-F365 HydrophobicContact CG2-CE2 4.43Å; V136-F365 HydrophobicContact CG2-CZ 3.49Å; V136-F365 VanDerWaalsContact CG2-CZ 3.49Å |
| 137 | G | 94.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N198 | G137-N198 PolarHBondContact N-O 3.49Å; G137-N198 PolarHBondContact O-N 3.2Å |
| 138 | L | 95 | Very high | 91 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.2 | 169 | 174.8 | 68.5 | 0 | 0 | 0 | 109 | M151 A152 M185 V187 Y195 L196 I197 F365 | L138-M151 HydrophobicContact CD2-CB 4.14Å; L138-M151 HydrophobicContact CD2-CG 4.19Å; L138-M151 HydrophobicContact CD2-SD 3.69Å; L138-M151 HydrophobicContact CG-CB 4.07Å; L138-M151 HydrophobicContact CG-SD 4.41Å; L138-M151 WeakPolarHBondContact O-CB 3.39Å; L138-M151 PolarHBondContact O-N 3.1Å; L138-A152 PolarHBondContact N-O 2.75Å; L138-A152 PolarHBondContact O-N 2.74Å; L138-M185 HydrophobicContact CD1-CE 4.16Å; L138-M185 HydrophobicContact CD1-SD 4.25Å; L138-M185 HydrophobicContact CD2-CE 4.36Å; L138-M185 HydrophobicContact CD2-SD 3.75Å; L138-V187 HydrophobicContact CD2-CG2 4.31Å; L138-Y195 HydrophobicContact CD1-CD1 4.25Å; L138-L196 WeakPolarHBondContact CA-O 3.42Å; L138-I197 HydrophobicContact CD1-CG1 3.8Å; L138-F365 HydrophobicContact CB-CE2 4.41Å; L138-F365 HydrophobicContact CB-CZ 3.69Å |
| 139 | A | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 159 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W62 W148 T149 Y195 L196 | W62-A139 HydrophobicContact CD2-CB 3.74Å; W62-A139 HydrophobicContact CE3-CB 3.72Å; W62-A139 HydrophobicContact CH2-CB 3.68Å; W62-A139 HydrophobicContact CZ2-CB 3.69Å; W62-A139 HydrophobicContact CZ3-CB 3.68Å; A139-W148 HydrophobicContact CB-CB 3.98Å; A139-W148 HydrophobicContact CB-CD2 4.33Å; A139-W148 HydrophobicContact CB-CE3 3.8Å; A139-W148 HydrophobicContact CB-CG 4.45Å; A139-T149 CarbonylContact C-O 3.59Å; A139-T149 WeakPolarHBondContact CA-O 3.39Å; A139-T149 WeakPolarHBondContact CB-O 3.14Å; A139-Y195 CarbonylContact O-C 3.55Å; A139-Y195 VanDerWaalsContact O-CA 3.3Å; A139-Y195 WeakPolarHBondContact O-CA 3.17Å; A139-L196 PolarHBondContact N-O 2.76Å; A139-L196 PolarHBondContact O-N 3.45Å |
| 140 | Y | 94.5 | Very high | 91.8 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 161.2 | 174.1 | 69.4 | -84.8 | 0 | 0 | 0 | 111.6 | T149 M151 H192 Y194 | Y140-T149 WeakPolarHBondContact CD1-O 3.25Å; Y140-T149 WeakPolarHBondContact CD1-OG1 3.27Å; Y140-T149 WeakPolarHBondContact CD2-OG1 3.29Å; Y140-T149 VanDerWaalsContact CE1-OG1 3.24Å; Y140-T149 WeakPolarHBondContact CE1-OG1 3.47Å; Y140-T149 WeakPolarHBondContact CE2-OG1 3.45Å; Y140-T149 PolarHBondContact N-O 2.77Å; Y140-T149 PolarHBondContact O-N 2.88Å; Y140-T149 PolarHBondContact O-OG1 3.46Å; Y140-M151 HydrophobicContact CD1-CB 3.96Å; Y140-M151 HydrophobicContact CD1-CE 3.38Å; Y140-M151 HydrophobicContact CE1-CB 4.4Å; Y140-M151 HydrophobicContact CE1-CE 4.03Å; Y140-M151 HydrophobicContact CG-CE 3.79Å; Y140-H192 HydrophobicContact CD2-CB 4.04Å; Y140-H192 AromaticContact CD2-CD2 3.24Å; Y140-H192 WeakPolarHBondContact CD2-CD2 3.24Å; Y140-H192 AromaticContact CD2-CE1 3.34Å; Y140-H192 WeakPolarHBondContact CD2-CE1 3.24Å; Y140-H192 AromaticContact CD2-CG 3.23Å; Y140-H192 AromaticContact CD2-ND1 3.3Å; Y140-H192 VanDerWaalsContact CD2-ND1 3.3Å; Y140-H192 WeakPolarHBondContact CD2-ND1 3.13Å; Y140-H192 AromaticContact CD2-NE2 3.34Å; Y140-H192 VanDerWaalsContact CD2-NE2 3.34Å; Y140-H192 WeakPolarHBondContact CD2-NE2 3.48Å; Y140-H192 AromaticContact CE2-CD2 3.75Å; Y140-H192 AromaticContact CE2-CE1 3.16Å; Y140-H192 WeakPolarHBondContact CE2-CE1 3.39Å; Y140-H192 AromaticContact CE2-CG 3.92Å; Y140-H192 AromaticContact CE2-ND1 3.58Å; Y140-H192 AromaticContact CE2-NE2 3.29Å; Y140-H192 VanDerWaalsContact CE2-NE2 3.29Å; Y140-H192 WeakPolarHBondContact CE2-NE2 3.36Å; Y140-H192 HydrophobicContact CG-CB 4.38Å; Y140-H192 AromaticContact CG-CD2 3.49Å; Y140-H192 VanDerWaalsContact CG-CD2 3.49Å; Y140-H192 AromaticContact CG-CG 3.78Å; Y140-H192 AromaticContact CG-NE2 3.89Å; Y140-H192 AromaticContact CZ-NE2 3.8Å; Y140-Y194 CarbonylContact C-O 3.55Å; Y140-Y194 VanDerWaalsContact CA-O 3.28Å; Y140-Y194 WeakPolarHBondContact CA-O 3.41Å |
| 141 | R | 93.1 | Very high | 91.9 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 6% | 0.06 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 159.2 | 166.9 | 67.9 | -173.7 | -175.9 | 162.8 | 6.1 | 110.5 | M64 D143 L144 W148 Y194 | M64-R141 VanDerWaalsContact CE-NH2 3.33Å; R141-D143 WeakPolarHBondContact CD-O 3.48Å; R141-D143 WeakPolarHBondContact CG-O 3.45Å; R141-L144 VanDerWaalsContact CZ-O 3.24Å; R141-L144 PolarHBondContact NH1-O 2.91Å; R141-L144 PolarHBondContact NH2-O 2.85Å; R141-W148 HydrophobicContact CB-CE3 4.12Å; R141-W148 HydrophobicContact CB-CZ3 4.26Å; R141-W148 HydrophobicContact CG-CD2 4.26Å; R141-W148 HydrophobicContact CG-CE3 3.84Å; R141-W148 HydrophobicContact CG-CH2 3.79Å; R141-W148 HydrophobicContact CG-CZ2 4.22Å; R141-W148 HydrophobicContact CG-CZ3 3.59Å; R141-Y194 HydrophobicContact CG-CD2 4.23Å; R141-Y194 HydrophobicContact CG-CG 4.47Å; R141-Y194 PolarHBondContact N-O 2.85Å; R141-Y194 WeakPolarHBondContact O-CB 3.44Å; R141-Y194 PolarHBondContact O-N 3.21Å |
| 142 | D | 91.6 | Very high | 91.9 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -107.5 | -23.7 | 178.3 | -69.5 | -43.2 | 0 | 0 | 0 | 113.5 | H192 K193 | D142-H192 WeakPolarHBondContact OD1-CA 3.09Å; D142-H192 VanDerWaalsContact OD1-CB 3.31Å; D142-H192 WeakPolarHBondContact OD1-CB 3.38Å; D142-H192 IonicContact OD1-CG 3.8Å; D142-H192 IonicContact OD1-ND1 3.62Å; D142-H192 PolarHBondContact OD1-ND1 3.06Å; D142-H192 IonicContact OD2-CE1 3.5Å; D142-H192 IonicContact OD2-ND1 2.79Å; D142-H192 PolarHBondContact OD2-ND1 2.94Å; D142-K193 PolarHBondContact OD1-N 2.84Å |
| 143 | D | 88.9 | Confident | 91.9 | Very high | 94 Ų | 94 | 53.2 Ų | 53.2 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -110.7 | 146.7 | 173.2 | -165 | -4.9 | 0 | 0 | 0 | 110.4 | R141 F145 S146 | R141-D143 WeakPolarHBondContact CD-O 3.48Å; R141-D143 WeakPolarHBondContact CG-O 3.45Å; D143-F145 PolarHBondContact O-N 2.78Å; D143-S146 PolarHBondContact O-OG 3.46Å; D143-S146 VanDerWaalsContact O-OG 3.1Å |
| 144 | L | 82.6 | Confident | 91.9 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.356 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -70.5 | -19.5 | 179.8 | -73.5 | 170 | 0 | 0 | 0 | 113 | R141 Y194 | R141-L144 VanDerWaalsContact CZ-O 3.24Å; R141-L144 PolarHBondContact NH1-O 2.91Å; R141-L144 PolarHBondContact NH2-O 2.85Å; L144-Y194 HydrophobicContact CD2-CD1 4.31Å; L144-Y194 HydrophobicContact CD2-CD2 4.2Å; L144-Y194 HydrophobicContact CD2-CE1 3.92Å; L144-Y194 HydrophobicContact CD2-CE2 3.79Å; L144-Y194 HydrophobicContact CD2-CG 4.43Å; L144-Y194 HydrophobicContact CG-CE2 3.81Å |
| 145 | F | 83.6 | Confident | 91.8 | Very high | 183 Ų | 183 | 59 Ų | 59 | 80% | 0.803 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -104.8 | -7.9 | -179.3 | -58.6 | -75.7 | 0 | 0 | 0 | 113.7 | D143 | D143-F145 PolarHBondContact O-N 2.78Š|
| 146 | S | 87.2 | Confident | 91.7 | Very high | 47 Ų | 47 | 58.9 Ų | 58.9 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -75.3 | 155 | 176 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | D143 | D143-S146 PolarHBondContact O-OG 3.46Å; D143-S146 VanDerWaalsContact O-OG 3.1Å |
| 147 | E | 89.9 | Confident | 91.6 | Very high | 179 Ų | 179 | 63.8 Ų | 63.8 | 84% | 0.836 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 153.9 | 169.7 | -65.5 | -175.1 | 173 | 0 | 0 | 111 | ||
| 148 | W | 91.8 | Very high | 91.5 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 130.8 | 177 | -73.9 | 101.3 | 0 | 0 | 0 | 110.1 | W62 M64 H95 A139 R141 L196 | W62-W148 HydrophobicContact CB-CB 4.07Å; W62-W148 HydrophobicContact CB-CG 4Å; W62-W148 VanDerWaalsContact CD1-CB 3.45Å; W62-W148 HydrophobicContact CD2-CB 4.22Å; W62-W148 HydrophobicContact CG-CB 3.61Å; W62-W148 HydrophobicContact CG-CG 4.04Å; M64-W148 HydrophobicContact CE-CZ2 3.59Å; M64-W148 VanDerWaalsContact CE-NE1 3.27Å; M64-W148 HydrophobicContact SD-CZ2 3.78Å; H95-W148 AromaticContact CD2-CH2 3.72Å; H95-W148 AromaticContact CD2-CZ2 3.76Å; H95-W148 AromaticContact NE2-CH2 3.76Å; H95-W148 AromaticContact NE2-CZ2 3.99Å; A139-W148 HydrophobicContact CB-CB 3.98Å; A139-W148 HydrophobicContact CB-CD2 4.33Å; A139-W148 HydrophobicContact CB-CE3 3.8Å; A139-W148 HydrophobicContact CB-CG 4.45Å; R141-W148 HydrophobicContact CB-CE3 4.12Å; R141-W148 HydrophobicContact CB-CZ3 4.26Å; R141-W148 HydrophobicContact CG-CD2 4.26Å; R141-W148 HydrophobicContact CG-CE3 3.84Å; R141-W148 HydrophobicContact CG-CH2 3.79Å; R141-W148 HydrophobicContact CG-CZ2 4.22Å; R141-W148 HydrophobicContact CG-CZ3 3.59Å; W148-L196 HydrophobicContact CD2-CB 4Å; W148-L196 HydrophobicContact CD2-CD2 4.07Å; W148-L196 HydrophobicContact CE3-CB 3.76Å; W148-L196 HydrophobicContact CG-CD2 4.37Å; W148-L196 HydrophobicContact CH2-CB 3.49Å; W148-L196 VanDerWaalsContact CH2-CB 3.49Å; W148-L196 HydrophobicContact CZ2-CB 3.71Å; W148-L196 HydrophobicContact CZ2-CD2 4.12Å; W148-L196 HydrophobicContact CZ2-CG 4.37Å; W148-L196 HydrophobicContact CZ3-CB 3.5Å |
| 149 | T | 93.4 | Very high | 91.3 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.3 | 172.8 | 48.4 | 0 | 0 | 0 | 0 | 110 | A139 Y140 M151 | A139-T149 CarbonylContact C-O 3.59Å; A139-T149 WeakPolarHBondContact CA-O 3.39Å; A139-T149 WeakPolarHBondContact CB-O 3.14Å; Y140-T149 WeakPolarHBondContact CD1-O 3.25Å; Y140-T149 WeakPolarHBondContact CD1-OG1 3.27Å; Y140-T149 WeakPolarHBondContact CD2-OG1 3.29Å; Y140-T149 VanDerWaalsContact CE1-OG1 3.24Å; Y140-T149 WeakPolarHBondContact CE1-OG1 3.47Å; Y140-T149 WeakPolarHBondContact CE2-OG1 3.45Å; Y140-T149 PolarHBondContact N-O 2.77Å; Y140-T149 PolarHBondContact O-N 2.88Å; Y140-T149 PolarHBondContact O-OG1 3.46Å; T149-M151 PolarHBondContact O-N 3.4Å |
| 150 | E | 93.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 42% | 0.416 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129 | 177.6 | -168.4 | 175.5 | 138.7 | 0 | 0 | 110.8 | W62 H153 | W62-E150 HydrophobicContact CH2-CG 4.25Å; W62-E150 HydrophobicContact CZ2-CB 3.88Å; W62-E150 HydrophobicContact CZ2-CG 3.87Å; E150-H153 WeakPolarHBondContact OE1-CB 2.9Å |
| 151 | M | 92 | Very high | 90.9 | Very high | 62 Ų | 62 | 68.3 Ų | 68.3 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -48.6 | 173.4 | -171.4 | 168.2 | -70.3 | 0 | 0 | 111.2 | L138 Y140 T149 Y195 | L138-M151 HydrophobicContact CD2-CB 4.14Å; L138-M151 HydrophobicContact CD2-CG 4.19Å; L138-M151 HydrophobicContact CD2-SD 3.69Å; L138-M151 HydrophobicContact CG-CB 4.07Å; L138-M151 HydrophobicContact CG-SD 4.41Å; L138-M151 WeakPolarHBondContact O-CB 3.39Å; L138-M151 PolarHBondContact O-N 3.1Å; Y140-M151 HydrophobicContact CD1-CB 3.96Å; Y140-M151 HydrophobicContact CD1-CE 3.38Å; Y140-M151 HydrophobicContact CE1-CB 4.4Å; Y140-M151 HydrophobicContact CE1-CE 4.03Å; Y140-M151 HydrophobicContact CG-CE 3.79Å; T149-M151 PolarHBondContact O-N 3.4Å; M151-Y195 HydrophobicContact CE-CD1 4.45Å; M151-Y195 HydrophobicContact CE-CE1 3.77Å; M151-Y195 HydrophobicContact SD-CE1 4.44Å |
| 152 | A | 92.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 69 Ų | 69 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 144.5 | -178 | 0 | 0 | 0 | 0 | 0 | 110.1 | L138 P364 F365 | L138-A152 PolarHBondContact N-O 2.75Å; L138-A152 PolarHBondContact O-N 2.74Å; A152-P364 HydrophobicContact CB-CG 3.69Å; A152-F365 HydrophobicContact CB-CD2 4.47Å; A152-F365 HydrophobicContact CB-CE2 3.79Å |
| 153 | H | 93.9 | Very high | 90.8 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 38% | 0.384 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.4 | 172.8 | 178.2 | -76.9 | 0 | 0 | 0 | 108.9 | D135 V136 E150 | D135-H153 IonicContact OD1-CE1 3.85Å; D135-H153 PolarHBondContact OD1-CE1 3.36Å; D135-H153 VanDerWaalsContact OD1-CE1 3.25Å; D135-H153 IonicContact OD1-NE2 2.77Å; D135-H153 PolarHBondContact OD1-NE2 2.88Å; V136-H153 VanDerWaalsContact O-CA 3.31Å; V136-H153 WeakPolarHBondContact O-CA 3.3Å; E150-H153 WeakPolarHBondContact OE1-CB 2.9Å |
| 154 | S | 93.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 67 Ų | 67 | 12% | 0.119 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.5 | 179.6 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | V136 E156 F365 | V136-S154 WeakPolarHBondContact CG1-O 3.28Å; V136-S154 PolarHBondContact N-O 2.78Å; V136-S154 PolarHBondContact O-N 2.8Å; S154-E156 WeakPolarHBondContact CB-OE1 3.37Å; S154-E156 WeakPolarHBondContact OG-CG 3.31Å; S154-E156 PolarHBondContact OG-OE1 3.18Å; S154-F365 WeakPolarHBondContact OG-CD2 3.29Å |
| 155 | F | 92.6 | Very high | 91.2 | Very high | 119 Ų | 119 | 69.3 Ų | 69.3 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.2 | 167.9 | -69.9 | -87.2 | 0 | 0 | 0 | 108.4 | I134 D135 | I134-F155 WeakPolarHBondContact O-CA 3.41Å; D135-F155 HydrophobicContact CB-CD1 3.78Å; D135-F155 HydrophobicContact CB-CE1 3.53Å; D135-F155 HydrophobicContact CB-CZ 4.38Å; D135-F155 VanDerWaalsContact CG-CE1 3.46Å |
| 156 | E | 92.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.4 | -174.3 | -66.8 | -60.2 | 147.9 | 0 | 0 | 110.9 | T133 I134 V136 S154 R158 N363 F365 | T133-E156 CarbonylContact C-O 3.56Å; T133-E156 WeakPolarHBondContact CA-O 3.39Å; I134-E156 HydrophobicContact CB-CB 4.48Å; I134-E156 PolarHBondContact N-O 3.36Å; I134-E156 PolarHBondContact O-N 3.09Å; V136-E156 HydrophobicContact CG1-CG 4.07Å; S154-E156 WeakPolarHBondContact CB-OE1 3.37Å; S154-E156 WeakPolarHBondContact OG-CG 3.31Å; S154-E156 PolarHBondContact OG-OE1 3.18Å; E156-R158 IonicContact OE2-CZ 2.77Å; E156-R158 IonicContact OE2-NH1 3.74Å; E156-R158 PolarHBondContact OE2-NH1 2.86Å; E156-R158 IonicContact OE2-NH2 3.37Å; E156-N363 PolarHBondContact OE1-ND2 3.11Å; E156-F365 HydrophobicContact CG-CB 3.59Å; E156-F365 HydrophobicContact CG-CG 4.32Å |
| 157 | H | 92.3 | Very high | 91.3 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.6 | 176.1 | -56.8 | -70.6 | 0 | 0 | 0 | 109.3 | V131 V132 T133 | V131-H157 HydrophobicContact CG1-CB 3.99Å; V132-H157 WeakPolarHBondContact O-CA 3.47Å; T133-H157 PolarHBondContact OG1-ND1 2.95Å |
| 158 | R | 92.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 134.1 | 177.1 | -63.2 | -63.8 | -177.5 | -84.7 | -6.3 | 110.7 | V131 V132 I134 E156 L182 P183 F365 | V131-R158 CarbonylContact C-O 3.58Å; V131-R158 WeakPolarHBondContact CA-O 3.36Å; V132-R158 HydrophobicContact CG1-CB 3.82Å; V132-R158 WeakPolarHBondContact CG1-O 3.18Å; V132-R158 PolarHBondContact N-O 3.41Å; V132-R158 PolarHBondContact O-N 3.34Å; I134-R158 HydrophobicContact CD1-CG 4.24Å; E156-R158 IonicContact OE2-CZ 2.77Å; E156-R158 IonicContact OE2-NH1 3.74Å; E156-R158 PolarHBondContact OE2-NH1 2.86Å; E156-R158 IonicContact OE2-NH2 3.37Å; R158-L182 HydrophobicContact CB-CD1 4.11Å; R158-L182 HydrophobicContact CB-CD2 4.47Å; R158-P183 PolarHBondContact NE-O 3.29Å; R158-P183 PolarHBondContact NH2-O 3.29Å; R158-F365 PolarHBondContact NH2-O 3Å |
| 159 | N | 91.1 | Very high | 91 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.6 | 176.3 | -63.6 | -8.8 | 0 | 0 | 0 | 109.4 | V131 L182 | V131-N159 WeakPolarHBondContact CG2-OD1 3.3Å; N159-L182 WeakPolarHBondContact O-CD2 3.41Å |
| 160 | L | 91.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | trans | -92.9 | 100 | 178 | -71.2 | 174.9 | 0 | 0 | 0 | 110.3 | F116 I118 A130 V132 C162 L182 I213 | F116-L160 HydrophobicContact CD2-CD2 3.82Å; F116-L160 HydrophobicContact CE2-CD2 4.19Å; I118-L160 HydrophobicContact CD1-CD1 4.3Å; I118-L160 HydrophobicContact CD1-CD2 4.44Å; A130-L160 HydrophobicContact CB-CB 4.46Å; A130-L160 PolarHBondContact O-N 3.36Å; V132-L160 HydrophobicContact CB-CD1 4.05Å; V132-L160 HydrophobicContact CB-CD2 4.47Å; V132-L160 HydrophobicContact CB-CG 4.15Å; V132-L160 HydrophobicContact CG1-CD1 4.46Å; V132-L160 HydrophobicContact CG1-CD2 4.01Å; V132-L160 HydrophobicContact CG1-CG 4.05Å; L160-C162 PolarHBondContact O-N 3.05Å; L160-L182 HydrophobicContact CD2-CD1 4.07Å; L160-I213 HydrophobicContact CD1-CB 3.87Å; L160-I213 HydrophobicContact CD1-CG2 4.11Å | ||
| 161 | N | 90.5 | Very high | 90.3 | Very high | 100 Ų | 100 | 71.7 Ų | 71.7 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | trans | -92.9 | 95.1 | 171.3 | -68.4 | -8.9 | 0 | 0 | 0 | 109.2 | C179 D180 | N161-C179 WeakPolarHBondContact O-CA 3.39Å; N161-D180 HydrophobicContact CB-CB 4.4Å; N161-D180 PolarHBondContact O-N 3.42Å | ||
| 162 | C | 91.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.5 | -175.8 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | I126 L160 Y177 C179 | I126-C162 HydrophobicContact CD1-CB 3.55Å; L160-C162 PolarHBondContact O-N 3.05Å; C162-Y177 HydrophobicContact CB-CD1 4.09Å; C162-Y177 HydrophobicContact CB-CG 4.4Å; C162-C179 HydrophobicContact CB-CB 4.09Å; C162-C179 WeakPolarHBondContact CB-SG 3.44Å; C162-C179 WeakPolarHBondContact SG-CB 3.45Å; C162-C179 CovalentContact SG-SG 2.04Å; C162-C179 PolarHBondContact SG-SG 3.21Å |
| 163 | N | 90.9 | Very high | 89.8 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 60% | 0.599 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.9 | 175.1 | -165.2 | -0.4 | 0 | 0 | 0 | 110.8 | V178 | N163-V178 PolarHBondContact N-O 3.07Å; N163-V178 PolarHBondContact O-N 3.26Å |
| 164 | F | 90.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | trans | -101.6 | 108 | 173.2 | -166.9 | -116.6 | 0 | 0 | 0 | 108.8 | F120 A166 K168 N172 R175 Y177 | F120-F164 HydrophobicContact CB-CD2 3.96Å; F120-F164 HydrophobicContact CB-CE2 3.43Å; F120-F164 VanDerWaalsContact CB-CE2 3.43Å; F120-F164 HydrophobicContact CB-CZ 3.75Å; F120-F164 AromaticContact CD1-CE1 3.88Å; F120-F164 HydrophobicContact CD1-CE1 3.88Å; F120-F164 HydrophobicContact CD1-CE2 4.23Å; F120-F164 AromaticContact CD1-CZ 3.61Å; F120-F164 HydrophobicContact CD1-CZ 3.61Å; F120-F164 HydrophobicContact CD2-CD1 4.37Å; F120-F164 HydrophobicContact CD2-CD2 4.49Å; F120-F164 HydrophobicContact CD2-CE1 4.33Å; F120-F164 HydrophobicContact CD2-CE2 4.46Å; F120-F164 HydrophobicContact CD2-CG 4.45Å; F120-F164 HydrophobicContact CD2-CZ 4.37Å; F120-F164 HydrophobicContact CE1-CE1 4.19Å; F120-F164 HydrophobicContact CE1-CZ 4.35Å; F120-F164 HydrophobicContact CG-CD1 4.4Å; F120-F164 HydrophobicContact CG-CD2 4.24Å; F120-F164 AromaticContact CG-CE1 3.97Å; F120-F164 HydrophobicContact CG-CE1 3.97Å; F120-F164 AromaticContact CG-CE2 3.79Å; F120-F164 HydrophobicContact CG-CE2 3.79Å; F120-F164 AromaticContact CG-CZ 3.63Å; F120-F164 HydrophobicContact CG-CZ 3.63Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 HydrophobicContact CD1-CB 4.37Å; F164-A166 WeakPolarHBondContact CD1-O 3.35Å; F164-A166 HydrophobicContact CE1-CB 3.76Å; F164-A166 VanDerWaalsContact CE1-O 3.25Å; F164-A166 WeakPolarHBondContact CE1-O 3.34Å; F164-A166 HydrophobicContact CZ-CB 3.85Å; F164-A166 PolarHBondContact O-N 3.03Å; F164-K168 HydrophobicContact CD1-CG 3.99Å; F164-K168 HydrophobicContact CE1-CG 4.43Å; F164-N172 HydrophobicContact CE1-CB 4.49Å; F164-N172 HydrophobicContact CZ-CB 4.18Å; F164-R175 HydrophobicContact CE2-CB 3.95Å; F164-R175 HydrophobicContact CZ-CB 4.2Å; F164-Y177 HydrophobicContact CB-CD1 3.78Å; F164-Y177 HydrophobicContact CB-CE1 3.63Å; F164-Y177 HydrophobicContact CD2-CD1 4.31Å; F164-Y177 HydrophobicContact CD2-CE1 4.45Å; F164-Y177 HydrophobicContact CD2-CG 4.41Å; F164-Y177 HydrophobicContact CG-CD1 4.48Å; F164-Y177 HydrophobicContact CG-CE1 4.33Å | ||
| 165 | T | 88.1 | Confident | 89.3 | Confident | 115 Ų | 115 | 76.4 Ų | 76.4 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | trans | -75.6 | -20.8 | -174.5 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | V178 | T165-V178 HydrophobicContact CG2-CG2 4.23Š| ||
| 166 | A | 87.6 | Confident | 89.3 | Confident | 22 Ų | 22 | 76.3 Ų | 76.3 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -90.2 | 161.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F164 | F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 HydrophobicContact CD1-CB 4.37Å; F164-A166 WeakPolarHBondContact CD1-O 3.35Å; F164-A166 HydrophobicContact CE1-CB 3.76Å; F164-A166 VanDerWaalsContact CE1-O 3.25Å; F164-A166 WeakPolarHBondContact CE1-O 3.34Å; F164-A166 HydrophobicContact CZ-CB 3.85Å; F164-A166 PolarHBondContact O-N 3.03Å |
| 167 | E | 86.2 | Confident | 89.2 | Confident | 151 Ų | 151 | 76.4 Ų | 76.4 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | trans | -65.4 | 137 | 171.6 | -67.6 | -176.4 | 177.2 | 0 | 0 | 110.4 | T169 N172 | E167-T169 HydrophobicContact CB-CG2 4.16Å; E167-T169 PolarHBondContact O-N 3.14Å; E167-N172 PolarHBondContact O-ND2 2.89Å | ||
| 168 | K | 86.6 | Confident | 89.3 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | trans | -72.8 | 70.3 | 178.8 | -65.4 | -175.3 | 179.5 | -173 | 0 | 110.7 | F120 M122 F164 | F120-K168 HydrophobicContact CE1-CB 4.45Å; F120-K168 HydrophobicContact CE2-CB 4.35Å; F120-K168 HydrophobicContact CE2-CD 4.23Å; F120-K168 HydrophobicContact CE2-CG 3.96Å; F120-K168 HydrophobicContact CZ-CB 3.74Å; F120-K168 HydrophobicContact CZ-CD 4.4Å; F120-K168 HydrophobicContact CZ-CG 3.85Å; M122-K168 WeakPolarHBondContact CE-O 3.18Å; F164-K168 HydrophobicContact CD1-CG 3.99Å; F164-K168 HydrophobicContact CE1-CG 4.43Å | ||
| 169 | T | 88.4 | Confident | 89.2 | Confident | 48 Ų | 48 | 77 Ų | 77 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | trans | -112.6 | 160 | 176.4 | 61 | 0 | 0 | 0 | 0 | 110.5 | E167 E171 N172 | E167-T169 HydrophobicContact CB-CG2 4.16Å; E167-T169 PolarHBondContact O-N 3.14Å; T169-E171 PolarHBondContact O-N 3.29Å; T169-N172 PolarHBondContact O-N 2.98Å; T169-N172 VanDerWaalsContact O-N 3.12Å; T169-N172 PolarHBondContact OG1-ND2 3.44Å | ||
| 170 | I | 85.6 | Confident | 89.2 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 65% | 0.646 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -62 | -32.6 | 179.3 | -61.2 | 172.2 | 0 | 0 | 0 | 110.9 | M122 N172 E173 | M122-I170 HydrophobicContact CE-CG1 4.02Å; M122-I170 HydrophobicContact CG-CG1 4.39Å; I170-N172 PolarHBondContact O-N 3.31Å; I170-E173 WeakPolarHBondContact O-CB 3.43Å; I170-E173 PolarHBondContact O-N 3.11Å |
| 171 | E | 86.9 | Confident | 89.2 | Confident | 182 Ų | 182 | 82.4 Ų | 82.4 | 85% | 0.85 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -64 | -24.6 | 177.9 | -61.3 | 179.9 | -178.8 | 0 | 0 | 113.5 | T169 | T169-E171 PolarHBondContact O-N 3.29Š|
| 172 | N | 86.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 11% | 0.112 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -97 | 6.7 | -179.8 | -69.2 | -33.4 | 0 | 0 | 0 | 113 | F164 E167 T169 I170 R175 | F164-N172 HydrophobicContact CE1-CB 4.49Å; F164-N172 HydrophobicContact CZ-CB 4.18Å; E167-N172 PolarHBondContact O-ND2 2.89Å; T169-N172 PolarHBondContact O-N 2.98Å; T169-N172 VanDerWaalsContact O-N 3.12Å; T169-N172 PolarHBondContact OG1-ND2 3.44Å; I170-N172 PolarHBondContact O-N 3.31Å; N172-R175 WeakPolarHBondContact O-CB 3.42Å; N172-R175 WeakPolarHBondContact O-CG 3.4Å; N172-R175 PolarHBondContact O-N 3.44Å; N172-R175 PolarHBondContact OD1-NE 3.41Å; N172-R175 PolarHBondContact OD1-NH1 3.49Å; N172-R175 PolarHBondContact OD1-NH2 3.28Å; N172-R175 VanDerWaalsContact OD1-NH2 3.11Å |
| 173 | E | 87.4 | Confident | 89.3 | Confident | 76 Ų | 76 | 80 Ų | 80 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 141 | 172.4 | -74.9 | -164.8 | 155.1 | 0 | 0 | 111.7 | F120 M122 I170 R175 | F120-E173 HydrophobicContact CD1-CG 4.49Å; F120-E173 HydrophobicContact CE1-CG 4.46Å; M122-E173 WeakPolarHBondContact CB-OE1 3.43Å; M122-E173 HydrophobicContact CG-CG 4.27Å; M122-E173 WeakPolarHBondContact CG-OE1 3.43Å; M122-E173 PolarHBondContact N-OE1 3.31Å; I170-E173 WeakPolarHBondContact O-CB 3.43Å; I170-E173 PolarHBondContact O-N 3.11Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 2.93Å |
| 174 | G | 85.2 | Confident | 89.4 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -8.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | F120 | F120-G174 PolarHBondContact O-N 2.99Š|
| 175 | R | 90.6 | Very high | 89.5 | Confident | 139 Ų | 139 | 74.2 Ų | 74.2 | 53% | 0.525 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.2 | 168.4 | -67.2 | -171.9 | -177.4 | -172 | 5.3 | 110.6 | F120 F164 N172 E173 | F120-R175 WeakPolarHBondContact CB-O 3.41Å; F120-R175 PolarHBondContact N-O 2.97Å; F164-R175 HydrophobicContact CE2-CB 3.95Å; F164-R175 HydrophobicContact CZ-CB 4.2Å; N172-R175 WeakPolarHBondContact O-CB 3.42Å; N172-R175 WeakPolarHBondContact O-CG 3.4Å; N172-R175 PolarHBondContact O-N 3.44Å; N172-R175 PolarHBondContact OD1-NE 3.41Å; N172-R175 PolarHBondContact OD1-NH1 3.49Å; N172-R175 PolarHBondContact OD1-NH2 3.28Å; N172-R175 VanDerWaalsContact OD1-NH2 3.11Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 2.93Å |
| 176 | Y | 92.5 | Very high | 89.7 | Confident | 116 Ų | 116 | 69.9 Ų | 69.9 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 144 | -179.3 | -62.7 | -65.6 | 0 | 0 | 0 | 112.3 | D117 I118 A119 R217 | D117-Y176 HydrophobicContact CB-CD1 4.23Å; D117-Y176 HydrophobicContact CB-CE1 4.09Å; I118-Y176 CarbonylContact O-C 3.49Å; I118-Y176 VanDerWaalsContact O-CA 3.28Å; I118-Y176 WeakPolarHBondContact O-CA 3.4Å; A119-Y176 HydrophobicContact CB-CD1 4.47Å; A119-Y176 HydrophobicContact CB-CE1 4.44Å; Y176-R217 HydrophobicContact CE1-CB 4.1Å; Y176-R217 HydrophobicContact CE1-CG 4.04Å |
| 177 | Y | 92.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 147.1 | 162 | -78.3 | -94.6 | 0 | 0 | 0 | 110.2 | I118 F120 I126 C162 F164 | I118-Y177 HydrophobicContact CB-CD2 4.24Å; I118-Y177 HydrophobicContact CG2-CD2 4.06Å; I118-Y177 PolarHBondContact O-N 2.91Å; F120-Y177 HydrophobicContact CB-CD2 4.33Å; F120-Y177 HydrophobicContact CB-CE2 3.88Å; F120-Y177 AromaticContact CD2-CE2 3.94Å; F120-Y177 HydrophobicContact CD2-CE2 3.94Å; F120-Y177 AromaticContact CD2-CZ 3.8Å; F120-Y177 WeakPolarHBondContact CD2-OH 3.43Å; F120-Y177 HydrophobicContact CG-CE2 4.43Å; I126-Y177 HydrophobicContact CD1-CD1 3.82Å; I126-Y177 HydrophobicContact CD1-CD2 3.82Å; I126-Y177 HydrophobicContact CD1-CE1 3.9Å; I126-Y177 HydrophobicContact CD1-CE2 3.91Å; I126-Y177 HydrophobicContact CD1-CG 3.76Å; I126-Y177 HydrophobicContact CG1-CD2 4.43Å; I126-Y177 HydrophobicContact CG1-CE1 4.3Å; I126-Y177 HydrophobicContact CG1-CE2 4.04Å; C162-Y177 HydrophobicContact CB-CD1 4.09Å; C162-Y177 HydrophobicContact CB-CG 4.4Å; F164-Y177 HydrophobicContact CB-CD1 3.78Å; F164-Y177 HydrophobicContact CB-CE1 3.63Å; F164-Y177 HydrophobicContact CD2-CD1 4.31Å; F164-Y177 HydrophobicContact CD2-CE1 4.45Å; F164-Y177 HydrophobicContact CD2-CG 4.41Å; F164-Y177 HydrophobicContact CG-CD1 4.48Å; F164-Y177 HydrophobicContact CG-CE1 4.33Å |
| 178 | V | 92.7 | Very high | 90 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 102.3 | 168.1 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | N163 T165 | N163-V178 PolarHBondContact N-O 3.07Å; N163-V178 PolarHBondContact O-N 3.26Å; T165-V178 HydrophobicContact CG2-CG2 4.23Å |
| 179 | C | 91.8 | Very high | 90.2 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 147.4 | -179.7 | -60 | 0 | 0 | 0 | 0 | 111.4 | N161 C162 | N161-C179 WeakPolarHBondContact O-CA 3.39Å; C162-C179 HydrophobicContact CB-CB 4.09Å; C162-C179 WeakPolarHBondContact CB-SG 3.44Å; C162-C179 WeakPolarHBondContact SG-CB 3.45Å; C162-C179 CovalentContact SG-SG 2.04Å; C162-C179 PolarHBondContact SG-SG 3.21Å |
| 180 | D | 91.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 52% | 0.524 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 143.5 | 171.1 | -68 | -29.5 | 0 | 0 | 0 | 110.7 | N161 | N161-D180 HydrophobicContact CB-CB 4.4Å; N161-D180 PolarHBondContact O-N 3.42Å |
| 181 | P | 90.6 | Very high | 90.6 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 138.7 | 175.6 | 26.6 | -32.8 | 0 | 0 | 0 | 111.1 | I113 Q115 | I113-P181 HydrophobicContact CG2-CB 3.61Å; Q115-P181 HydrophobicContact CG-CB 4.29Å |
| 182 | L | 92 | Very high | 90.9 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.1 | -177.2 | -59.4 | 173.2 | 0 | 0 | 0 | 111.1 | I113 L114 F116 R158 N159 L160 F184 | I113-L182 WeakPolarHBondContact CG2-O 3.06Å; L114-L182 HydrophobicContact CB-CB 4.29Å; L114-L182 HydrophobicContact CD2-CD1 4.47Å; L114-L182 PolarHBondContact N-O 3.18Å; L114-L182 PolarHBondContact O-N 2.79Å; F116-L182 HydrophobicContact CD2-CD1 3.64Å; F116-L182 HydrophobicContact CE2-CD1 3.49Å; F116-L182 VanDerWaalsContact CE2-CD1 3.49Å; R158-L182 HydrophobicContact CB-CD1 4.11Å; R158-L182 HydrophobicContact CB-CD2 4.47Å; N159-L182 WeakPolarHBondContact O-CD2 3.41Å; L160-L182 HydrophobicContact CD2-CD1 4.07Å; L182-F184 PolarHBondContact O-N 3.5Å |
| 183 | P | 91.7 | Very high | 91.2 | Very high | 65 Ų | 65 | 46 Ų | 46 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 123.7 | 171.3 | 27.9 | -32.6 | 0 | 0 | 0 | 109.3 | R158 | R158-P183 PolarHBondContact NE-O 3.29Å; R158-P183 PolarHBondContact NH2-O 3.29Å |
| 184 | F | 92.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -53 | -171.6 | -176 | -117.3 | 0 | 0 | 0 | 112.9 | V112 L114 I134 V136 L182 I197 I199 L221 F365 | V112-F184 HydrophobicContact CB-CD1 4.23Å; V112-F184 HydrophobicContact CG1-CD1 3.99Å; V112-F184 VanDerWaalsContact O-CB 3.3Å; V112-F184 WeakPolarHBondContact O-CB 3.33Å; V112-F184 PolarHBondContact O-N 2.85Å; V112-F184 VanDerWaalsContact O-N 3.13Å; L114-F184 HydrophobicContact CB-CB 3.87Å; L114-F184 HydrophobicContact CB-CD2 4.29Å; L114-F184 HydrophobicContact CB-CG 4.16Å; L114-F184 HydrophobicContact CD2-CD2 4.11Å; L114-F184 HydrophobicContact CD2-CE2 4.46Å; I134-F184 HydrophobicContact CG2-CE2 4.26Å; V136-F184 HydrophobicContact CB-CE2 4.45Å; V136-F184 HydrophobicContact CB-CZ 4.15Å; V136-F184 HydrophobicContact CG2-CE1 4.27Å; V136-F184 HydrophobicContact CG2-CE2 4.25Å; V136-F184 HydrophobicContact CG2-CZ 3.49Å; V136-F184 VanDerWaalsContact CG2-CZ 3.49Å; L182-F184 PolarHBondContact O-N 3.5Å; F184-I197 HydrophobicContact CE1-CG2 3.87Å; F184-I197 HydrophobicContact CZ-CG2 4.2Å; F184-I199 HydrophobicContact CE1-CD1 4.06Å; F184-I199 HydrophobicContact CE1-CG1 4.49Å; F184-I199 HydrophobicContact CE2-CD1 4.25Å; F184-I199 HydrophobicContact CE2-CG1 4.39Å; F184-I199 HydrophobicContact CZ-CD1 3.57Å; F184-I199 HydrophobicContact CZ-CG1 3.69Å; F184-L221 HydrophobicContact CD1-CD2 4.01Å; F184-L221 HydrophobicContact CE1-CD2 4.14Å; F184-F365 HydrophobicContact CE1-CD1 4.45Å; F184-F365 HydrophobicContact CE1-CE1 4.2Å; F184-F365 HydrophobicContact CZ-CD1 4.37Å; F184-F365 HydrophobicContact CZ-CE1 4.19Å; F184-F365 WeakPolarHBondContact O-CA 3.22Å |
| 185 | M | 92.9 | Very high | 92 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 142.2 | -174.1 | -176.6 | -162.4 | -42.7 | 0 | 0 | 111.4 | M110 L111 V112 L138 V187 I197 P364 F365 | M110-M185 HydrophobicContact CE-SD 4.23Å; L111-M185 CarbonylContact C-O 3.54Å; L111-M185 WeakPolarHBondContact CA-O 3.29Å; V112-M185 HydrophobicContact CB-CB 4.15Å; V112-M185 HydrophobicContact CG2-CB 4.45Å; V112-M185 HydrophobicContact CG2-CE 4.44Å; V112-M185 HydrophobicContact CG2-SD 4.37Å; V112-M185 PolarHBondContact N-O 3.23Å; V112-M185 PolarHBondContact O-N 2.92Å; V112-M185 VanDerWaalsContact O-N 3.11Å; L138-M185 HydrophobicContact CD1-CE 4.16Å; L138-M185 HydrophobicContact CD1-SD 4.25Å; L138-M185 HydrophobicContact CD2-CE 4.36Å; L138-M185 HydrophobicContact CD2-SD 3.75Å; M185-V187 HydrophobicContact CG-CG2 3.91Å; M185-V187 HydrophobicContact SD-CG2 3.63Å; M185-I197 HydrophobicContact CE-CD1 3.53Å; M185-I197 HydrophobicContact CE-CG1 3.99Å; M185-P364 WeakPolarHBondContact CA-O 3.29Å; M185-P364 HydrophobicContact CG-CB 4.15Å; M185-F365 HydrophobicContact CB-CD1 4.08Å; M185-F365 HydrophobicContact CB-CE1 4.42Å; M185-F365 HydrophobicContact CE-CD1 4.19Å; M185-F365 HydrophobicContact CE-CE1 3.52Å; M185-F365 HydrophobicContact CE-CZ 4.29Å; M185-F365 HydrophobicContact CG-CD1 4.21Å; M185-F365 HydrophobicContact CG-CE1 4.31Å |
| 186 | E | 92.3 | Very high | 92.3 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 116.5 | 166.3 | -172.2 | 172 | -168.9 | 0 | 0 | 109.5 | L297 R357 Q360 P364 | E186-L297 WeakPolarHBondContact OE1-CD2 3.45Å; E186-R357 IonicContact OE1-CZ 2.64Å; E186-R357 IonicContact OE1-NE 3.31Å; E186-R357 IonicContact OE1-NH2 3.11Å; E186-R357 PolarHBondContact OE1-NH2 2.75Å; E186-Q360 PolarHBondContact OE2-OE1 3.4Å; E186-P364 PolarHBondContact N-O 3.38Å |
| 187 | V | 91.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.4 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | F109 M110 L138 M185 S189 P364 | F109-V187 CarbonylContact C-O 3.35Å; F109-V187 VanDerWaalsContact CA-O 3.26Å; F109-V187 WeakPolarHBondContact CA-O 3.34Å; M110-V187 HydrophobicContact CE-CG2 4.18Å; M110-V187 PolarHBondContact N-O 3.02Å; M110-V187 PolarHBondContact O-N 3.36Å; L138-V187 HydrophobicContact CD2-CG2 4.31Å; M185-V187 HydrophobicContact CG-CG2 3.91Å; M185-V187 HydrophobicContact SD-CG2 3.63Å; V187-S189 VanDerWaalsContact CG1-O 3.3Å; V187-S189 WeakPolarHBondContact CG1-O 3.34Å; V187-S189 PolarHBondContact O-N 3.38Å; V187-P364 HydrophobicContact CG2-CB 4.23Å |
| 188 | G | 88 | Confident | 92.6 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -78.5 | 4.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q108 L297 | Q108-G188 CarbonylContact O-C 3.56Å; Q108-G188 VanDerWaalsContact O-O 3.14Å; G188-L297 VanDerWaalsContact CA-CD1 3.43Å; G188-L297 WeakPolarHBondContact O-CD1 3.39Å |
| 189 | S | 91 | Very high | 92.7 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | trans | -156.1 | 126.6 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | Q108 V187 A191 N292 | Q108-S189 WeakPolarHBondContact O-CA 3.34Å; Q108-S189 PolarHBondContact O-N 2.87Å; V187-S189 VanDerWaalsContact CG1-O 3.3Å; V187-S189 WeakPolarHBondContact CG1-O 3.34Å; V187-S189 PolarHBondContact O-N 3.38Å; S189-A191 PolarHBondContact O-N 2.68Å; S189-N292 WeakPolarHBondContact CB-OD1 3.16Å; S189-N292 PolarHBondContact OG-OD1 3.17Å | ||
| 190 | V | 92.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | trans | -98.6 | 69.5 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | M103 S104 P105 F107 M110 Y195 | M103-V190 HydrophobicContact CB-CG1 3.73Å; M103-V190 HydrophobicContact CG-CG1 4.25Å; S104-V190 CarbonylContact C-O 3.56Å; P105-V190 WeakPolarHBondContact CA-O 3.3Å; F107-V190 HydrophobicContact CB-CB 4.42Å; F107-V190 HydrophobicContact CB-CG2 4.24Å; M110-V190 HydrophobicContact CB-CG2 3.89Å; V190-Y195 HydrophobicContact CG1-CE2 3.9Å | ||
| 191 | A | 89.7 | Confident | 92.9 | Very high | 28 Ų | 28 | 22.9 Ų | 22.9 | 23% | 0.231 | 13% | 0.125 | C | C | . | . | trans | -75.5 | -26.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S189 Y195 N292 | S189-A191 PolarHBondContact O-N 2.68Å; A191-Y195 PolarHBondContact N-OH 3.25Å; A191-N292 HydrophobicContact CB-CB 3.54Å | ||
| 192 | H | 93.2 | Very high | 93 | Very high | 24 Ų | 24 | 20.8 Ų | 20.8 | 11% | 0.111 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -108.9 | 159.1 | -171.3 | -57.3 | -69.9 | 0 | 0 | 0 | 112.2 | Y140 D142 Y195 | Y140-H192 HydrophobicContact CD2-CB 4.04Å; Y140-H192 AromaticContact CD2-CD2 3.24Å; Y140-H192 WeakPolarHBondContact CD2-CD2 3.24Å; Y140-H192 AromaticContact CD2-CE1 3.34Å; Y140-H192 WeakPolarHBondContact CD2-CE1 3.24Å; Y140-H192 AromaticContact CD2-CG 3.23Å; Y140-H192 AromaticContact CD2-ND1 3.3Å; Y140-H192 VanDerWaalsContact CD2-ND1 3.3Å; Y140-H192 WeakPolarHBondContact CD2-ND1 3.13Å; Y140-H192 AromaticContact CD2-NE2 3.34Å; Y140-H192 VanDerWaalsContact CD2-NE2 3.34Å; Y140-H192 WeakPolarHBondContact CD2-NE2 3.48Å; Y140-H192 AromaticContact CE2-CD2 3.75Å; Y140-H192 AromaticContact CE2-CE1 3.16Å; Y140-H192 WeakPolarHBondContact CE2-CE1 3.39Å; Y140-H192 AromaticContact CE2-CG 3.92Å; Y140-H192 AromaticContact CE2-ND1 3.58Å; Y140-H192 AromaticContact CE2-NE2 3.29Å; Y140-H192 VanDerWaalsContact CE2-NE2 3.29Å; Y140-H192 WeakPolarHBondContact CE2-NE2 3.36Å; Y140-H192 HydrophobicContact CG-CB 4.38Å; Y140-H192 AromaticContact CG-CD2 3.49Å; Y140-H192 VanDerWaalsContact CG-CD2 3.49Å; Y140-H192 AromaticContact CG-CG 3.78Å; Y140-H192 AromaticContact CG-NE2 3.89Å; Y140-H192 AromaticContact CZ-NE2 3.8Å; D142-H192 WeakPolarHBondContact OD1-CA 3.09Å; D142-H192 VanDerWaalsContact OD1-CB 3.31Å; D142-H192 WeakPolarHBondContact OD1-CB 3.38Å; D142-H192 IonicContact OD1-CG 3.8Å; D142-H192 IonicContact OD1-ND1 3.62Å; D142-H192 PolarHBondContact OD1-ND1 3.06Å; D142-H192 IonicContact OD2-CE1 3.5Å; D142-H192 IonicContact OD2-ND1 2.79Å; D142-H192 PolarHBondContact OD2-ND1 2.94Å; H192-Y195 HydrophobicContact CB-CE1 4.38Å; H192-Y195 HydrophobicContact CB-CE2 4.22Å; H192-Y195 PolarHBondContact N-OH 2.91Å; H192-Y195 VanDerWaalsContact N-OH 3.07Å; H192-Y195 WeakPolarHBondContact O-CE2 3.3Å |
| 193 | K | 93.6 | Very high | 93 | Very high | 83 Ų | 83 | 22.7 Ų | 22.7 | 36% | 0.361 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -78.7 | -34.8 | -177.7 | -66.8 | -173.3 | 171.1 | -153.8 | 0 | 113.7 | P97 E102 M103 D142 | P97-K193 WeakPolarHBondContact CD-O 3.37Å; E102-K193 HydrophobicContact CB-CB 4.4Å; E102-K193 WeakPolarHBondContact OE2-CD 3.3Å; E102-K193 WeakPolarHBondContact OE2-CE 3.29Å; E102-K193 IonicContact OE2-NZ 2.81Å; E102-K193 PolarHBondContact OE2-NZ 3.05Å; M103-K193 WeakPolarHBondContact CB-O 3.22Å; M103-K193 PolarHBondContact N-O 2.88Å; D142-K193 PolarHBondContact OD1-N 2.84Å |
| 194 | Y | 94.4 | Very high | 92.9 | Very high | 28 Ų | 28 | 22.5 Ų | 22.5 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 137.5 | -173.3 | -52.7 | -68.5 | 0 | 0 | 0 | 110.8 | H95 N101 E102 Y140 R141 L144 | H95-Y194 AromaticContact CE1-CD1 3.64Å; N101-Y194 WeakPolarHBondContact O-CE1 3.39Å; E102-Y194 HydrophobicContact CB-CE1 4.31Å; Y140-Y194 CarbonylContact C-O 3.55Å; Y140-Y194 VanDerWaalsContact CA-O 3.28Å; Y140-Y194 WeakPolarHBondContact CA-O 3.41Å; R141-Y194 HydrophobicContact CG-CD2 4.23Å; R141-Y194 HydrophobicContact CG-CG 4.47Å; R141-Y194 PolarHBondContact N-O 2.85Å; R141-Y194 WeakPolarHBondContact O-CB 3.44Å; R141-Y194 PolarHBondContact O-N 3.21Å; L144-Y194 HydrophobicContact CD2-CD1 4.31Å; L144-Y194 HydrophobicContact CD2-CD2 4.2Å; L144-Y194 HydrophobicContact CD2-CE1 3.92Å; L144-Y194 HydrophobicContact CD2-CE2 3.79Å; L144-Y194 HydrophobicContact CD2-CG 4.43Å; L144-Y194 HydrophobicContact CG-CE2 3.81Å |
| 195 | Y | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.8 | 178.6 | -64.4 | -91.5 | 0 | 0 | 0 | 109.3 | I96 M103 M110 L138 A139 M151 V190 A191 H192 | I96-Y195 PolarHBondContact N-O 3.18Å; I96-Y195 PolarHBondContact O-N 3.06Å; I96-Y195 VanDerWaalsContact O-O 3.1Å; M103-Y195 HydrophobicContact CB-CE2 4.36Å; M103-Y195 HydrophobicContact CG-CD2 4.41Å; M103-Y195 HydrophobicContact CG-CE2 4.5Å; M110-Y195 HydrophobicContact CE-CD1 4.35Å; M110-Y195 HydrophobicContact CE-CD2 4.5Å; M110-Y195 HydrophobicContact CE-CG 4.26Å; L138-Y195 HydrophobicContact CD1-CD1 4.25Å; A139-Y195 CarbonylContact O-C 3.55Å; A139-Y195 VanDerWaalsContact O-CA 3.3Å; A139-Y195 WeakPolarHBondContact O-CA 3.17Å; M151-Y195 HydrophobicContact CE-CD1 4.45Å; M151-Y195 HydrophobicContact CE-CE1 3.77Å; M151-Y195 HydrophobicContact SD-CE1 4.44Å; V190-Y195 HydrophobicContact CG1-CE2 3.9Å; A191-Y195 PolarHBondContact N-OH 3.25Å; H192-Y195 HydrophobicContact CB-CE1 4.38Å; H192-Y195 HydrophobicContact CB-CE2 4.22Å; H192-Y195 PolarHBondContact N-OH 2.91Å; H192-Y195 VanDerWaalsContact N-OH 3.07Å; H192-Y195 WeakPolarHBondContact O-CE2 3.3Å |
| 196 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.9 | 174.9 | -177.7 | 69.1 | 0 | 0 | 0 | 109 | W62 P65 H95 L138 A139 W148 | W62-L196 HydrophobicContact CB-CD2 3.8Å; W62-L196 HydrophobicContact CD2-CD2 4.49Å; W62-L196 HydrophobicContact CE3-CD2 4Å; W62-L196 HydrophobicContact CG-CD2 4.45Å; P65-L196 HydrophobicContact CG-CD1 4.49Å; H95-L196 HydrophobicContact CB-CD1 4.28Å; L138-L196 WeakPolarHBondContact CA-O 3.42Å; A139-L196 PolarHBondContact N-O 2.76Å; A139-L196 PolarHBondContact O-N 3.45Å; W148-L196 HydrophobicContact CD2-CB 4Å; W148-L196 HydrophobicContact CD2-CD2 4.07Å; W148-L196 HydrophobicContact CE3-CB 3.76Å; W148-L196 HydrophobicContact CG-CD2 4.37Å; W148-L196 HydrophobicContact CH2-CB 3.49Å; W148-L196 VanDerWaalsContact CH2-CB 3.49Å; W148-L196 HydrophobicContact CZ2-CB 3.71Å; W148-L196 HydrophobicContact CZ2-CD2 4.12Å; W148-L196 HydrophobicContact CZ2-CG 4.37Å; W148-L196 HydrophobicContact CZ3-CB 3.5Å |
| 197 | I | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.6 | 177 | -59.4 | 174.3 | 0 | 0 | 0 | 107.1 | A93 A94 I96 V136 L138 F184 M185 I199 | A93-I197 CarbonylContact C-O 3.58Å; A93-I197 WeakPolarHBondContact CA-O 3.41Å; A94-I197 PolarHBondContact N-O 2.96Å; A94-I197 PolarHBondContact O-N 3.03Å; I96-I197 HydrophobicContact CD1-CD1 3.52Å; I96-I197 HydrophobicContact CG1-CD1 4.39Å; V136-I197 HydrophobicContact CG2-CG2 4.24Å; L138-I197 HydrophobicContact CD1-CG1 3.8Å; F184-I197 HydrophobicContact CE1-CG2 3.87Å; F184-I197 HydrophobicContact CZ-CG2 4.2Å; M185-I197 HydrophobicContact CE-CD1 3.53Å; M185-I197 HydrophobicContact CE-CG1 3.99Å; I197-I199 HydrophobicContact CG2-CD1 3.96Å; I197-I199 HydrophobicContact CG2-CG1 3.9Å |
| 198 | N | 95.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.2 | 171.3 | -81.4 | -4.1 | 0 | 0 | 0 | 108.7 | W62 F63 V91 V136 G137 | W62-N198 HydrophobicContact CE3-CB 4.47Å; W62-N198 HydrophobicContact CZ3-CB 4.28Å; F63-N198 PolarHBondContact N-ND2 3.37Å; F63-N198 PolarHBondContact O-OD1 2.71Å; V91-N198 HydrophobicContact CG1-CB 3.93Å; V136-N198 WeakPolarHBondContact CA-O 3.43Å; G137-N198 PolarHBondContact N-O 3.49Å; G137-N198 PolarHBondContact O-N 3.2Å |
| 199 | I | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 178.7 | -68.3 | 160.2 | 0 | 0 | 0 | 109 | V91 F92 L114 I134 V136 F184 I197 L201 I219 L221 | V91-I199 CarbonylContact C-O 3.56Å; F92-I199 HydrophobicContact CB-CB 4.12Å; F92-I199 PolarHBondContact N-O 3.21Å; F92-I199 PolarHBondContact O-N 3.42Å; L114-I199 HydrophobicContact CD1-CD1 4.02Å; I134-I199 HydrophobicContact CG2-CG2 3.55Å; V136-I199 HydrophobicContact CG2-CG1 4.15Å; F184-I199 HydrophobicContact CE1-CD1 4.06Å; F184-I199 HydrophobicContact CE1-CG1 4.49Å; F184-I199 HydrophobicContact CE2-CD1 4.25Å; F184-I199 HydrophobicContact CE2-CG1 4.39Å; F184-I199 HydrophobicContact CZ-CD1 3.57Å; F184-I199 HydrophobicContact CZ-CG1 3.69Å; I197-I199 HydrophobicContact CG2-CD1 3.96Å; I197-I199 HydrophobicContact CG2-CG1 3.9Å; I199-L201 HydrophobicContact CG2-CD2 4.49Å; I199-I219 HydrophobicContact CG2-CD1 4.19Å; I199-L221 HydrophobicContact CD1-CD1 4.29Å; I199-L221 HydrophobicContact CD1-CD2 4.17Å |
| 200 | R | 93.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 23% | 0.234 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.1 | 172 | -73 | 177.9 | 176.1 | 168.7 | -5.7 | 109.4 | D52 V91 D135 P202 | D52-R200 IonicContact OD2-CZ 3.58Å; D52-R200 IonicContact OD2-NH2 2.97Å; D52-R200 PolarHBondContact OD2-NH2 2.77Å; V91-R200 HydrophobicContact CB-CG 4.35Å; V91-R200 HydrophobicContact CG1-CG 4.16Å; V91-R200 HydrophobicContact CG2-CG 3.87Å; D135-R200 HydrophobicContact CB-CB 3.93Å; D135-R200 PolarHBondContact N-O 3.37Å; D135-R200 PolarHBondContact O-N 3.4Å; R200-P202 VanDerWaalsContact O-CD 3.3Å; R200-P202 WeakPolarHBondContact O-CD 3.28Å |
| 201 | L | 93.8 | Very high | 92.1 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | trans | -114.6 | 83.2 | 175.4 | -62.2 | 179.9 | 0 | 0 | 0 | 108.2 | F92 F116 V132 I134 I199 V203 I216 I219 | F92-L201 HydrophobicContact CE2-CD1 3.97Å; F92-L201 HydrophobicContact CE2-CG 4.28Å; F116-L201 HydrophobicContact CE1-CD1 4.32Å; V132-L201 HydrophobicContact CG2-CD2 3.8Å; I134-L201 HydrophobicContact CG1-CD2 4.1Å; I134-L201 HydrophobicContact CG2-CD2 4.45Å; I199-L201 HydrophobicContact CG2-CD2 4.49Å; L201-V203 PolarHBondContact O-N 3.46Å; L201-I216 HydrophobicContact CD1-CD1 3.62Å; L201-I219 HydrophobicContact CD1-CD1 4.25Å | ||
| 202 | P | 92.6 | Very high | 92 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | trans | -67.4 | 129.3 | -176.2 | 27.4 | -34.9 | 0 | 0 | 0 | 110.6 | N88 D135 R200 V209 N210 | N88-P202 WeakPolarHBondContact OD1-CA 3.47Å; D135-P202 HydrophobicContact CB-CG 4.19Å; R200-P202 VanDerWaalsContact O-CD 3.3Å; R200-P202 WeakPolarHBondContact O-CD 3.28Å; P202-V209 WeakPolarHBondContact O-CG1 3.23Å; P202-N210 WeakPolarHBondContact O-CB 3.3Å; P202-N210 PolarHBondContact O-ND2 2.92Å | ||
| 203 | V | 91.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | trans | -104.1 | 128.9 | 177 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | A87 N88 L201 N210 | A87-V203 HydrophobicContact CB-CG2 3.79Å; N88-V203 PolarHBondContact ND2-O 3.43Å; N88-V203 PolarHBondContact OD1-N 2.94Å; L201-V203 PolarHBondContact O-N 3.46Å; V203-N210 HydrophobicContact CG2-CB 4.25Å | ||
| 204 | N | 91 | Very high | 91.7 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -141.4 | 107.6 | 175.7 | -168.4 | -36.3 | 0 | 0 | 0 | 111.3 | R206 K207 K208 V209 | N204-R206 VanDerWaalsContact C-N 3.33Å; N204-R206 PolarHBondContact O-N 3.28Å; N204-R206 WeakPolarHBondContact OD1-CB 3.07Å; N204-R206 PolarHBondContact OD1-N 2.72Å; N204-K207 HydrophobicContact CB-CB 4.33Å; N204-K207 PolarHBondContact O-N 3.42Å; N204-K207 PolarHBondContact OD1-N 3.42Å; N204-K208 WeakPolarHBondContact O-CA 3.32Å; N204-K208 PolarHBondContact O-N 3.29Å; N204-V209 HydrophobicContact CB-CB 4.1Å; N204-V209 HydrophobicContact CB-CG2 4.37Å; N204-V209 PolarHBondContact N-O 3.28Å; N204-V209 VanDerWaalsContact N-O 3.1Å; N204-V209 PolarHBondContact O-N 2.84Å |
| 205 | E | 88.7 | Confident | 91.6 | Very high | 165 Ų | 165 | 55.5 Ų | 55.5 | 77% | 0.771 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -38 | 179.8 | -69.6 | -176.9 | -177.8 | 0 | 0 | 113.4 | K208 I211 | E205-K208 PolarHBondContact O-N 2.77Å; E205-I211 HydrophobicContact CG-CD1 4.48Å |
| 206 | R | 90.1 | Very high | 91.4 | Very high | 239 Ų | 239 | 56.2 Ų | 56.2 | 90% | 0.902 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -39.4 | -176.8 | -61.9 | -177.2 | -177.8 | 174.7 | 1.5 | 112.2 | N204 | N204-R206 VanDerWaalsContact C-N 3.33Å; N204-R206 PolarHBondContact O-N 3.28Å; N204-R206 WeakPolarHBondContact OD1-CB 3.07Å; N204-R206 PolarHBondContact OD1-N 2.72Å |
| 207 | K | 87.4 | Confident | 91.2 | Very high | 165 Ų | 165 | 58.8 Ų | 58.8 | 72% | 0.717 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.3 | -179.7 | -67.2 | -174.1 | 177.4 | -177.2 | 0 | 113 | N204 V209 | N204-K207 HydrophobicContact CB-CB 4.33Å; N204-K207 PolarHBondContact O-N 3.42Å; N204-K207 PolarHBondContact OD1-N 3.42Å; K207-V209 VanDerWaalsContact C-N 3.26Å; K207-V209 HydrophobicContact CB-CG2 3.73Å; K207-V209 PolarHBondContact O-N 2.99Å |
| 208 | K | 86.8 | Confident | 91.1 | Very high | 175 Ų | 175 | 60.5 Ų | 60.5 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.8 | -173 | -61.8 | -172.8 | 174.7 | -171.5 | 0 | 113.7 | N204 E205 I211 | N204-K208 WeakPolarHBondContact O-CA 3.32Å; N204-K208 PolarHBondContact O-N 3.29Å; E205-K208 PolarHBondContact O-N 2.77Å; K208-I211 HydrophobicContact CB-CD1 4.32Å; K208-I211 HydrophobicContact CG-CD1 4.41Å |
| 209 | V | 90.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 127.5 | 179 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | T133 P202 N204 K207 I211 | T133-V209 HydrophobicContact CG2-CG1 4Å; P202-V209 WeakPolarHBondContact O-CG1 3.23Å; N204-V209 HydrophobicContact CB-CB 4.1Å; N204-V209 HydrophobicContact CB-CG2 4.37Å; N204-V209 PolarHBondContact N-O 3.28Å; N204-V209 VanDerWaalsContact N-O 3.1Å; N204-V209 PolarHBondContact O-N 2.84Å; K207-V209 VanDerWaalsContact C-N 3.26Å; K207-V209 HydrophobicContact CB-CG2 3.73Å; K207-V209 PolarHBondContact O-N 2.99Å; V209-I211 VanDerWaalsContact C-N 3.28Å; V209-I211 PolarHBondContact O-N 3.1Å |
| 210 | N | 90.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 55.1 | 39.5 | 179.3 | -70.3 | -26.8 | 0 | 0 | 0 | 113.9 | V132 T133 P202 V203 I213 | V132-N210 WeakPolarHBondContact CA-OD1 3.38Å; T133-N210 PolarHBondContact N-OD1 3.29Å; T133-N210 PolarHBondContact O-ND2 3.02Å; T133-N210 PolarHBondContact O-OD1 2.98Å; P202-N210 WeakPolarHBondContact O-CB 3.3Å; P202-N210 PolarHBondContact O-ND2 2.92Å; V203-N210 HydrophobicContact CG2-CB 4.25Å; N210-I213 HydrophobicContact CB-CD1 3.8Å |
| 211 | I | 89.4 | Confident | 91.2 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 35% | 0.354 | 29% | 0.286 | S | S | . | . | trans | -102.8 | 140.1 | 171.5 | -53.6 | 179.2 | 0 | 0 | 0 | 107.8 | E205 K208 V209 I213 | E205-I211 HydrophobicContact CG-CD1 4.48Å; K208-I211 HydrophobicContact CB-CD1 4.32Å; K208-I211 HydrophobicContact CG-CD1 4.41Å; V209-I211 VanDerWaalsContact C-N 3.28Å; V209-I211 PolarHBondContact O-N 3.1Å; I211-I213 VanDerWaalsContact C-N 3.25Å; I211-I213 PolarHBondContact O-N 3.06Å | ||
| 212 | G | 88.4 | Confident | 91.2 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 69.4 | 20.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I126 E127 G214 | I126-G212 CarbonylContact C-O 3.58Å; I126-G212 WeakPolarHBondContact CA-O 3.26Å; E127-G212 PolarHBondContact N-O 2.85Å; G212-G214 PolarHBondContact O-N 3.27Å |
| 213 | I | 91.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 11.5 | 176.3 | 63.6 | 173.8 | 0 | 0 | 0 | 113 | A130 V132 L160 N210 I211 I216 | A130-I213 HydrophobicContact CB-CG2 4.47Å; V132-I213 HydrophobicContact CG2-CD1 4.28Å; L160-I213 HydrophobicContact CD1-CB 3.87Å; L160-I213 HydrophobicContact CD1-CG2 4.11Å; N210-I213 HydrophobicContact CB-CD1 3.8Å; I211-I213 VanDerWaalsContact C-N 3.25Å; I211-I213 PolarHBondContact O-N 3.06Å; I213-I216 HydrophobicContact CD1-CD1 3.7Å; I213-I216 HydrophobicContact CG1-CD1 4.3Å |
| 214 | G | 89.8 | Confident | 91.5 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | trans | 77.2 | -172.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N124 G212 | N124-G214 VanDerWaalsContact ND2-C 3.34Å; N124-G214 PolarHBondContact ND2-O 3.27Å; G212-G214 PolarHBondContact O-N 3.27Å | ||
| 215 | E | 90.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 57 Ų | 57 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 89.9 | 174.7 | -172.3 | -178.7 | -130 | 0 | 0 | 110.5 | A119 K121 R217 | A119-E215 PolarHBondContact N-O 3.37Å; K121-E215 HydrophobicContact CD-CB 4.36Å; K121-E215 VanDerWaalsContact CD-OE2 3.23Å; K121-E215 WeakPolarHBondContact CD-OE2 3.35Å; K121-E215 VanDerWaalsContact CE-CD 3.47Å; K121-E215 WeakPolarHBondContact CE-OE1 3.31Å; K121-E215 WeakPolarHBondContact CE-OE2 3.29Å; K121-E215 VanDerWaalsContact NZ-CD 3.3Å; K121-E215 IonicContact NZ-OE1 3.73Å; K121-E215 PolarHBondContact NZ-OE1 3.38Å; K121-E215 IonicContact NZ-OE2 3.22Å; K121-E215 PolarHBondContact NZ-OE2 2.89Å; E215-R217 PolarHBondContact O-N 3.11Å; E215-R217 IonicContact OE1-NH2 2.83Å; E215-R217 IonicContact OE2-CZ 3.79Å; E215-R217 IonicContact OE2-NE 3.44Å; E215-R217 PolarHBondContact OE2-NE 3.13Å; E215-R217 IonicContact OE2-NH2 3.24Å; E215-R217 PolarHBondContact OE2-NH2 3.28Å |
| 216 | I | 92.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 122.8 | 173.4 | -61.5 | 169.2 | 0 | 0 | 0 | 108.6 | F77 F116 I118 L201 I213 I219 | F77-I216 WeakPolarHBondContact CE2-O 3.43Å; F116-I216 HydrophobicContact CD1-CD1 4.03Å; F116-I216 HydrophobicContact CD1-CG1 4.37Å; F116-I216 HydrophobicContact CD1-CG2 3.95Å; F116-I216 HydrophobicContact CE1-CD1 4.11Å; I118-I216 HydrophobicContact CD1-CG1 4.42Å; I118-I216 HydrophobicContact CG1-CG1 4.13Å; L201-I216 HydrophobicContact CD1-CD1 3.62Å; I213-I216 HydrophobicContact CD1-CD1 3.7Å; I213-I216 HydrophobicContact CG1-CD1 4.3Å; I216-I219 HydrophobicContact CG2-CG1 4.29Å |
| 217 | R | 91.2 | Very high | 91.8 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -50.5 | 176.9 | -72.7 | -69.7 | -179.4 | 156.5 | -7.6 | 111.7 | K49 F77 D117 A119 Y176 E215 | K49-R217 WeakPolarHBondContact CE-O 3.19Å; K49-R217 PolarHBondContact NZ-O 2.87Å; F77-R217 WeakPolarHBondContact CE2-O 3.37Å; D117-R217 WeakPolarHBondContact O-CB 3.49Å; D117-R217 PolarHBondContact O-N 3.46Å; A119-R217 HydrophobicContact CB-CG 3.72Å; Y176-R217 HydrophobicContact CE1-CB 4.1Å; Y176-R217 HydrophobicContact CE1-CG 4.04Å; E215-R217 PolarHBondContact O-N 3.11Å; E215-R217 IonicContact OE1-NH2 2.83Å; E215-R217 IonicContact OE2-CZ 3.79Å; E215-R217 IonicContact OE2-NE 3.44Å; E215-R217 PolarHBondContact OE2-NE 3.13Å; E215-R217 IonicContact OE2-NH2 3.24Å; E215-R217 PolarHBondContact OE2-NH2 3.28Å |
| 218 | D | 93.1 | Very high | 92 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 19% | 0.193 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 158.4 | -177.2 | -72.3 | -63 | 0 | 0 | 0 | 110.5 | L46 K49 D117 | L46-D218 HydrophobicContact CD1-CB 3.9Å; K49-D218 WeakPolarHBondContact CE-OD1 3.39Å; K49-D218 IonicContact NZ-OD1 2.97Å; K49-D218 PolarHBondContact NZ-OD1 2.8Å; K49-D218 IonicContact NZ-OD2 2.68Å; D117-D218 HydrophobicContact CB-CB 4.17Å; D117-D218 PolarHBondContact N-O 3.5Å |
| 219 | I | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.2 | 174.4 | -58.6 | -175.6 | 0 | 0 | 0 | 107.3 | A47 F92 L114 F116 I199 L201 I216 | A47-I219 HydrophobicContact CB-CB 4.14Å; A47-I219 WeakPolarHBondContact CB-O 3.03Å; A47-I219 PolarHBondContact N-O 3.38Å; F92-I219 HydrophobicContact CB-CD1 4.03Å; F92-I219 HydrophobicContact CD1-CB 4.21Å; F92-I219 HydrophobicContact CD1-CD1 3.73Å; F92-I219 HydrophobicContact CD1-CG1 3.84Å; F92-I219 HydrophobicContact CD2-CD1 3.54Å; F92-I219 HydrophobicContact CD2-CG1 4.5Å; F92-I219 HydrophobicContact CE1-CD1 3.95Å; F92-I219 HydrophobicContact CE1-CG1 3.88Å; F92-I219 HydrophobicContact CE2-CD1 3.79Å; F92-I219 HydrophobicContact CG-CD1 3.5Å; F92-I219 HydrophobicContact CG-CG1 4.15Å; F92-I219 HydrophobicContact CZ-CD1 3.96Å; F92-I219 HydrophobicContact CZ-CG1 4.23Å; L114-I219 HydrophobicContact CD1-CG2 3.24Å; L114-I219 HydrophobicContact CG-CG2 4.16Å; F116-I219 HydrophobicContact CD1-CD1 4.19Å; F116-I219 HydrophobicContact CD1-CG1 3.81Å; F116-I219 HydrophobicContact CE1-CD1 3.61Å; F116-I219 HydrophobicContact CE1-CG1 3.77Å; I199-I219 HydrophobicContact CG2-CD1 4.19Å; L201-I219 HydrophobicContact CD1-CD1 4.25Å; I216-I219 HydrophobicContact CG2-CG1 4.29Å |
| 220 | R | 95.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 24.4 Ų | 24.4 | 38% | 0.377 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.7 | 173.2 | -58.2 | -178.2 | -166.6 | -169.1 | 6.5 | 109.6 | Y45 L46 Q115 D117 | Y45-R220 CarbonylContact O-C 3.6Å; Y45-R220 WeakPolarHBondContact O-CA 3.19Å; L46-R220 HydrophobicContact CD1-CG 4.06Å; Q115-R220 HydrophobicContact CB-CB 4.17Å; Q115-R220 PolarHBondContact N-O 2.76Å; Q115-R220 PolarHBondContact O-N 2.98Å; D117-R220 IonicContact OD1-CZ 3.54Å; D117-R220 IonicContact OD1-NE 3.2Å; D117-R220 IonicContact OD1-NH2 2.71Å; D117-R220 IonicContact OD2-CZ 3.24Å; D117-R220 IonicContact OD2-NE 3.76Å; D117-R220 PolarHBondContact OD2-NE 2.81Å; D117-R220 IonicContact OD2-NH2 3.82Å; D117-R220 PolarHBondContact OD2-NH2 3.47Å |
| 221 | L | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.5 | 178.1 | -67.9 | 157.8 | 0 | 0 | 0 | 108 | E44 Y45 A94 V112 I113 L114 F184 I199 | E44-L221 CarbonylContact C-O 3.57Å; Y45-L221 PolarHBondContact N-O 2.93Å; Y45-L221 PolarHBondContact O-N 2.76Å; A94-L221 HydrophobicContact CB-CD1 3.28Å; V112-L221 HydrophobicContact CG1-CB 4.12Å; V112-L221 HydrophobicContact CG1-CD2 3.69Å; V112-L221 HydrophobicContact CG1-CG 4.49Å; I113-L221 CarbonylContact O-C 3.52Å; I113-L221 WeakPolarHBondContact O-CA 3.32Å; L114-L221 HydrophobicContact CB-CD2 4.5Å; L114-L221 HydrophobicContact CD1-CD2 3.37Å; L114-L221 HydrophobicContact CD1-CG 4.15Å; F184-L221 HydrophobicContact CD1-CD2 4.01Å; F184-L221 HydrophobicContact CE1-CD2 4.14Å; I199-L221 HydrophobicContact CD1-CD1 4.29Å; I199-L221 HydrophobicContact CD1-CD2 4.17Å |
| 222 | V | 95.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 10% | 0.097 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 108.1 | 172.9 | -173 | 0 | 0 | 0 | 0 | 107.5 | A42 E44 V112 I113 I224 | A42-V222 HydrophobicContact CB-CG1 4.13Å; E44-V222 HydrophobicContact CG-CG2 4.25Å; V112-V222 WeakPolarHBondContact CA-O 3.05Å; I113-V222 HydrophobicContact CB-CB 4.4Å; I113-V222 PolarHBondContact N-O 3.03Å; I113-V222 PolarHBondContact O-N 3.24Å; V222-I224 HydrophobicContact CG1-CG1 4.2Å |
| 223 | S | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.6 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | A42 A43 L111 | A42-S223 CarbonylContact C-O 3.47Å; A42-S223 WeakPolarHBondContact CA-O 3.24Å; A43-S223 PolarHBondContact N-O 2.81Å; A43-S223 PolarHBondContact O-N 2.79Å; L111-S223 CarbonylContact O-C 3.33Å; L111-S223 WeakPolarHBondContact O-CA 3.41Å |
| 224 | I | 94.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 27.1 Ų | 27.1 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.3 | 176.8 | -54.9 | 176.8 | 0 | 0 | 0 | 107.3 | T40 R41 A42 L111 I113 V222 | T40-I224 HydrophobicContact CG2-CG2 4.33Å; R41-I224 WeakPolarHBondContact O-CA 3.26Å; A42-I224 HydrophobicContact CB-CG1 4.16Å; L111-I224 HydrophobicContact CB-CB 4.43Å; L111-I224 HydrophobicContact CD2-CD1 4.23Å; L111-I224 PolarHBondContact N-O 3.32Å; L111-I224 PolarHBondContact O-N 2.88Å; I113-I224 HydrophobicContact CD1-CD1 3.88Å; V222-I224 HydrophobicContact CG1-CG1 4.2Å |
| 225 | H | 92.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.3 | 177 | 58.7 | 78.4 | 0 | 0 | 0 | 110.1 | T40 R41 F107 F109 | T40-H225 WeakPolarHBondContact CA-O 3.36Å; R41-H225 PolarHBondContact N-O 2.88Å; R41-H225 PolarHBondContact O-N 2.81Å; R41-H225 VanDerWaalsContact O-N 3.09Å; F107-H225 HydrophobicContact CB-CB 4.16Å; F107-H225 AromaticContact CD1-ND1 3.88Å; F107-H225 AromaticContact CG-ND1 3.74Å; F109-H225 WeakPolarHBondContact O-CA 3.32Å; F109-H225 WeakPolarHBondContact O-CB 3.29Å |
| 226 | Q | 91.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 8% | 0.084 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 144.8 | 174.6 | -155.3 | 169.6 | -15.6 | 0 | 0 | 109.1 | P39 F107 F109 F230 | P39-Q226 VanDerWaalsContact O-CG 3.31Å; P39-Q226 WeakPolarHBondContact O-CG 3.43Å; F107-Q226 WeakPolarHBondContact CA-O 3.44Å; F107-Q226 WeakPolarHBondContact CD1-O 3.15Å; F107-Q226 WeakPolarHBondContact O-CB 3.43Å; F107-Q226 PolarHBondContact O-N 2.97Å; F109-Q226 HydrophobicContact CD1-CB 4.05Å; F109-Q226 HydrophobicContact CE1-CB 3.63Å; F109-Q226 HydrophobicContact CE1-CG 4.09Å; F109-Q226 HydrophobicContact CZ-CB 4.21Å; Q226-F230 HydrophobicContact CG-CD1 4.24Å |
| 227 | N | 92.8 | Very high | 93.7 | Very high | 33 Ų | 33 | 28.1 Ų | 28.1 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | trans | -79.2 | 126.9 | 176.3 | -164.8 | -17.1 | 0 | 0 | 0 | 109.9 | P37 S38 P39 G229 F230 T231 | P37-N227 WeakPolarHBondContact CB-ND2 3.5Å; S38-N227 WeakPolarHBondContact O-CB 3.3Å; S38-N227 PolarHBondContact O-ND2 3.45Å; P39-N227 PolarHBondContact O-N 3.05Å; N227-G229 VanDerWaalsContact C-N 3.26Å; N227-G229 PolarHBondContact O-N 3.38Å; N227-F230 HydrophobicContact CB-CB 4.2Å; N227-F230 WeakPolarHBondContact O-CB 3.41Å; N227-F230 PolarHBondContact O-N 3.3Å; N227-T231 PolarHBondContact O-N 3.36Å; N227-T231 PolarHBondContact O-OG1 2.99Å | ||
| 228 | G | 90.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 7% | 0.072 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -35.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T231 Q232 | G228-T231 WeakPolarHBondContact O-CB 3.46Å; G228-T231 PolarHBondContact O-N 3Å; G228-Q232 WeakPolarHBondContact O-CG 3.45Å; G228-Q232 PolarHBondContact O-N 3.43Å |
| 229 | G | 92.8 | Very high | 93.9 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 24% | 0.237 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.1 | -35.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P37 N227 Q232 V233 | P37-G229 VanDerWaalsContact CD-C 3.48Å; N227-G229 VanDerWaalsContact C-N 3.26Å; N227-G229 PolarHBondContact O-N 3.38Å; G229-Q232 PolarHBondContact O-N 2.98Å; G229-V233 WeakPolarHBondContact O-CG2 3.48Å; G229-V233 PolarHBondContact O-N 3.48Å |
| 230 | F | 93.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -43.1 | 174.3 | 176.1 | -94.8 | 0 | 0 | 0 | 110.2 | A36 P37 P39 Q226 N227 Q232 V233 W234 F474 | A36-F230 HydrophobicContact CB-CD2 3.96Å; P37-F230 HydrophobicContact CG-CB 4.38Å; P39-F230 HydrophobicContact CB-CD1 4.24Å; P39-F230 HydrophobicContact CB-CD2 4.31Å; P39-F230 HydrophobicContact CB-CE1 4.19Å; P39-F230 HydrophobicContact CB-CE2 4.27Å; P39-F230 HydrophobicContact CB-CG 4.32Å; P39-F230 HydrophobicContact CB-CZ 4.21Å; P39-F230 HydrophobicContact CG-CD2 4.34Å; P39-F230 HydrophobicContact CG-CE2 4.2Å; Q226-F230 HydrophobicContact CG-CD1 4.24Å; N227-F230 HydrophobicContact CB-CB 4.2Å; N227-F230 WeakPolarHBondContact O-CB 3.41Å; N227-F230 PolarHBondContact O-N 3.3Å; F230-Q232 VanDerWaalsContact C-N 3.32Å; F230-Q232 PolarHBondContact O-N 3.39Å; F230-V233 PolarHBondContact O-N 2.75Å; F230-W234 HydrophobicContact CE1-CB 4.4Å; F230-W234 HydrophobicContact CZ-CE3 4.19Å; F230-W234 VanDerWaalsContact O-CB 3.3Å; F230-W234 WeakPolarHBondContact O-CB 3.33Å; F230-W234 PolarHBondContact O-N 3.23Å; F230-F474 HydrophobicContact CE2-CB 4.29Å; F230-F474 HydrophobicContact CZ-CB 3.89Å; F230-F474 HydrophobicContact CZ-CD2 4.3Å; F230-F474 HydrophobicContact CZ-CG 4.29Å |
| 231 | T | 93.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -44.5 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | W106 Q108 N227 G228 W234 F235 | W106-T231 HydrophobicContact CE3-CG2 4.2Å; W106-T231 VanDerWaalsContact O-CB 3.23Å; W106-T231 WeakPolarHBondContact O-CB 3.43Å; W106-T231 WeakPolarHBondContact O-CG2 3.27Å; W106-T231 PolarHBondContact O-OG1 3.46Å; Q108-T231 HydrophobicContact CG-CG2 3.57Å; N227-T231 PolarHBondContact O-N 3.36Å; N227-T231 PolarHBondContact O-OG1 2.99Å; G228-T231 WeakPolarHBondContact O-CB 3.46Å; G228-T231 PolarHBondContact O-N 3Å; T231-W234 WeakPolarHBondContact O-CB 3.45Å; T231-W234 PolarHBondContact O-N 3.25Å; T231-F235 HydrophobicContact CG2-CD1 3.98Å; T231-F235 HydrophobicContact CG2-CD2 4.45Å; T231-F235 HydrophobicContact CG2-CE1 3.48Å; T231-F235 VanDerWaalsContact CG2-CE1 3.48Å; T231-F235 HydrophobicContact CG2-CE2 4.02Å; T231-F235 HydrophobicContact CG2-CG 4.43Å; T231-F235 HydrophobicContact CG2-CZ 3.49Å; T231-F235 VanDerWaalsContact CG2-CZ 3.49Å; T231-F235 WeakPolarHBondContact O-CB 3.28Å; T231-F235 VanDerWaalsContact O-CD1 3.28Å; T231-F235 WeakPolarHBondContact O-CD1 3.48Å; T231-F235 WeakPolarHBondContact O-CG 3.48Å; T231-F235 PolarHBondContact O-N 2.93Å |
| 232 | Q | 93.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 31 Ų | 31 | 45% | 0.453 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.3 | -74.6 | 175.1 | -8.6 | 0 | 0 | 112.3 | W106 G228 G229 F230 W234 F235 A236 | W106-Q232 HydrophobicContact CD2-CG 4.11Å; W106-Q232 HydrophobicContact CE3-CG 3.58Å; W106-Q232 HydrophobicContact CH2-CG 3.94Å; W106-Q232 HydrophobicContact CZ2-CG 4.44Å; W106-Q232 HydrophobicContact CZ3-CB 4.49Å; W106-Q232 HydrophobicContact CZ3-CG 3.49Å; W106-Q232 VanDerWaalsContact CZ3-CG 3.49Å; G228-Q232 WeakPolarHBondContact O-CG 3.45Å; G228-Q232 PolarHBondContact O-N 3.43Å; G229-Q232 PolarHBondContact O-N 2.98Å; F230-Q232 VanDerWaalsContact C-N 3.32Å; F230-Q232 PolarHBondContact O-N 3.39Å; Q232-W234 VanDerWaalsContact C-N 3.33Å; Q232-W234 PolarHBondContact O-N 2.97Å; Q232-F235 PolarHBondContact O-N 3.41Å; Q232-A236 WeakPolarHBondContact O-CB 3.42Å; Q232-A236 PolarHBondContact O-N 2.92Å |
| 233 | V | 94.9 | Very high | 93.8 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | V31 I35 A36 G229 F230 F235 A236 M237 | V31-V233 HydrophobicContact CG1-CG1 3.41Å; V31-V233 VanDerWaalsContact CG1-CG1 3.41Å; I35-V233 HydrophobicContact CG2-CG2 4.04Å; A36-V233 HydrophobicContact CB-CB 4.07Å; A36-V233 HydrophobicContact CB-CG1 4.04Å; A36-V233 HydrophobicContact CB-CG2 4.07Å; G229-V233 WeakPolarHBondContact O-CG2 3.48Å; G229-V233 PolarHBondContact O-N 3.48Å; F230-V233 PolarHBondContact O-N 2.75Å; V233-F235 PolarHBondContact O-N 2.84Å; V233-A236 PolarHBondContact O-N 3.05Å; V233-M237 WeakPolarHBondContact O-CB 3.33Å; V233-M237 PolarHBondContact O-N 3.38Å |
| 234 | W | 94.1 | Very high | 93.8 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 177.6 | -172.8 | -115.8 | 0 | 0 | 0 | 112.1 | F230 T231 Q232 M237 K238 F474 Y478 | F230-W234 HydrophobicContact CE1-CB 4.4Å; F230-W234 HydrophobicContact CZ-CE3 4.19Å; F230-W234 VanDerWaalsContact O-CB 3.3Å; F230-W234 WeakPolarHBondContact O-CB 3.33Å; F230-W234 PolarHBondContact O-N 3.23Å; T231-W234 WeakPolarHBondContact O-CB 3.45Å; T231-W234 PolarHBondContact O-N 3.25Å; Q232-W234 VanDerWaalsContact C-N 3.33Å; Q232-W234 PolarHBondContact O-N 2.97Å; W234-M237 PolarHBondContact O-N 2.99Å; W234-K238 VanDerWaalsContact NE1-CE 3.33Å; W234-K238 WeakPolarHBondContact O-CG 3.26Å; W234-K238 PolarHBondContact O-N 3.35Å; W234-F474 HydrophobicContact CZ3-CB 4.38Å; W234-Y478 AromaticContact CH2-CD1 3.95Å; W234-Y478 HydrophobicContact CH2-CD1 3.95Å; W234-Y478 HydrophobicContact CH2-CD2 4.01Å; W234-Y478 AromaticContact CH2-CG 3.6Å; W234-Y478 HydrophobicContact CH2-CG 3.6Å; W234-Y478 HydrophobicContact CZ2-CD2 4.5Å; W234-Y478 HydrophobicContact CZ2-CG 4.41Å; W234-Y478 AromaticContact CZ3-CD1 3.92Å; W234-Y478 HydrophobicContact CZ3-CD1 3.92Å; W234-Y478 AromaticContact CZ3-CG 3.91Å; W234-Y478 HydrophobicContact CZ3-CG 3.91Å |
| 235 | F | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.5 | -75.6 | 16.4 | 0 | 0 | 0 | 111.9 | W106 T231 Q232 V233 M237 K238 T239 E285 W286 V289 | W106-F235 HydrophobicContact CZ3-CD2 4.13Å; W106-F235 HydrophobicContact CZ3-CE2 4.31Å; T231-F235 HydrophobicContact CG2-CD1 3.98Å; T231-F235 HydrophobicContact CG2-CD2 4.45Å; T231-F235 HydrophobicContact CG2-CE1 3.48Å; T231-F235 VanDerWaalsContact CG2-CE1 3.48Å; T231-F235 HydrophobicContact CG2-CE2 4.02Å; T231-F235 HydrophobicContact CG2-CG 4.43Å; T231-F235 HydrophobicContact CG2-CZ 3.49Å; T231-F235 VanDerWaalsContact CG2-CZ 3.49Å; T231-F235 WeakPolarHBondContact O-CB 3.28Å; T231-F235 VanDerWaalsContact O-CD1 3.28Å; T231-F235 WeakPolarHBondContact O-CD1 3.48Å; T231-F235 WeakPolarHBondContact O-CG 3.48Å; T231-F235 PolarHBondContact O-N 2.93Å; Q232-F235 PolarHBondContact O-N 3.41Å; V233-F235 PolarHBondContact O-N 2.84Å; F235-M237 VanDerWaalsContact C-N 3.33Å; F235-M237 PolarHBondContact O-N 3.33Å; F235-K238 PolarHBondContact O-N 2.91Å; F235-T239 WeakPolarHBondContact O-CB 3.18Å; F235-T239 PolarHBondContact O-N 3.41Å; F235-T239 PolarHBondContact O-OG1 3.48Å; F235-E285 HydrophobicContact CD1-CB 4.21Å; F235-E285 HydrophobicContact CE1-CB 3.35Å; F235-E285 HydrophobicContact CE1-CG 4.14Å; F235-E285 HydrophobicContact CE2-CB 4.07Å; F235-E285 WeakPolarHBondContact CE2-O 3.43Å; F235-E285 HydrophobicContact CZ-CB 3.28Å; F235-E285 HydrophobicContact CZ-CG 4.43Å; F235-W286 HydrophobicContact CB-CZ2 3.8Å; F235-W286 AromaticContact CD2-CD2 3.77Å; F235-W286 HydrophobicContact CD2-CD2 3.77Å; F235-W286 AromaticContact CD2-CE2 3.91Å; F235-W286 HydrophobicContact CD2-CE3 4.04Å; F235-W286 HydrophobicContact CD2-CG 4.19Å; F235-W286 HydrophobicContact CD2-CZ2 4.27Å; F235-W286 HydrophobicContact CD2-CZ3 4.41Å; F235-W286 HydrophobicContact CE2-CD2 4.49Å; F235-V289 HydrophobicContact CE2-CG2 3.97Å |
| 236 | A | 94.3 | Very high | 93.9 | Very high | 56 Ų | 56 | 36 Ų | 36 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q232 V233 T239 F240 | Q232-A236 WeakPolarHBondContact O-CB 3.42Å; Q232-A236 PolarHBondContact O-N 2.92Å; V233-A236 PolarHBondContact O-N 3.05Å; A236-T239 PolarHBondContact O-N 2.92Å; A236-F240 WeakPolarHBondContact O-CB 3.12Å; A236-F240 PolarHBondContact O-N 3.31Å |
| 237 | M | 93.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 11% | 0.108 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 177.7 | -171.7 | 169.8 | -178.8 | 0 | 0 | 112 | A28 V233 W234 F235 T239 F240 L241 T475 Y478 | A28-M237 HydrophobicContact CB-CE 3.92Å; V233-M237 WeakPolarHBondContact O-CB 3.33Å; V233-M237 PolarHBondContact O-N 3.38Å; W234-M237 PolarHBondContact O-N 2.99Å; F235-M237 VanDerWaalsContact C-N 3.33Å; F235-M237 PolarHBondContact O-N 3.33Å; M237-T239 PolarHBondContact O-N 3.4Å; M237-F240 PolarHBondContact O-N 3.21Å; M237-L241 HydrophobicContact CE-CD1 3.72Å; M237-L241 HydrophobicContact CG-CD1 3.76Å; M237-L241 HydrophobicContact CG-CG 4.44Å; M237-L241 WeakPolarHBondContact O-CB 3.34Å; M237-L241 VanDerWaalsContact O-CG 3.31Å; M237-L241 WeakPolarHBondContact O-CG 3.45Å; M237-L241 PolarHBondContact O-N 2.68Å; M237-T475 VanDerWaalsContact CE-O 3.24Å; M237-T475 WeakPolarHBondContact CE-O 3.44Å; M237-T475 HydrophobicContact SD-CG2 4.18Å; M237-Y478 HydrophobicContact CE-CD1 3.77Å; M237-Y478 HydrophobicContact CG-CD1 3.99Å; M237-Y478 HydrophobicContact CG-CE1 4.04Å; M237-Y478 HydrophobicContact SD-CD1 3.8Å; M237-Y478 HydrophobicContact SD-CE1 4.44Å |
| 238 | K | 94.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 173.3 | -78.7 | -175.1 | 165.7 | -177.2 | 0 | 112.4 | W234 F235 F240 L241 T242 N281 P283 E285 Y478 | W234-K238 VanDerWaalsContact NE1-CE 3.33Å; W234-K238 WeakPolarHBondContact O-CG 3.26Å; W234-K238 PolarHBondContact O-N 3.35Å; F235-K238 PolarHBondContact O-N 2.91Å; K238-F240 VanDerWaalsContact C-N 3.31Å; K238-F240 PolarHBondContact O-N 3.2Å; K238-L241 PolarHBondContact O-N 2.85Å; K238-T242 WeakPolarHBondContact O-CB 3.49Å; K238-T242 PolarHBondContact O-N 2.99Å; K238-T242 PolarHBondContact O-OG1 2.9Å; K238-N281 WeakPolarHBondContact CB-O 3.25Å; K238-P283 HydrophobicContact CB-CB 4.06Å; K238-E285 VanDerWaalsContact NZ-CD 3.31Å; K238-E285 IonicContact NZ-OE1 3.54Å; K238-E285 PolarHBondContact NZ-OE1 3.23Å; K238-E285 IonicContact NZ-OE2 2.7Å; K238-Y478 HydrophobicContact CG-CE1 3.97Å; K238-Y478 WeakPolarHBondContact CG-OH 3.36Å |
| 239 | T | 94.7 | Very high | 94.5 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -37.1 | -179.6 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | F235 A236 M237 P243 W286 | F235-T239 WeakPolarHBondContact O-CB 3.18Å; F235-T239 PolarHBondContact O-N 3.41Å; F235-T239 PolarHBondContact O-OG1 3.48Å; A236-T239 PolarHBondContact O-N 2.92Å; M237-T239 PolarHBondContact O-N 3.4Å; T239-P243 WeakPolarHBondContact O-CD 3.46Å; T239-W286 PolarHBondContact OG1-NE1 2.87Å |
| 240 | F | 94.3 | Very high | 94.6 | Very high | 140 Ų | 140 | 44.2 Ų | 44.2 | 61% | 0.614 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -73.6 | -39.8 | 176.7 | 179.9 | -99.5 | 0 | 0 | 0 | 113.2 | A236 M237 K238 P243 | A236-F240 WeakPolarHBondContact O-CB 3.12Å; A236-F240 PolarHBondContact O-N 3.31Å; M237-F240 PolarHBondContact O-N 3.21Å; K238-F240 VanDerWaalsContact C-N 3.31Å; K238-F240 PolarHBondContact O-N 3.2Å; F240-P243 WeakPolarHBondContact O-CD 3.42Å; F240-P243 WeakPolarHBondContact O-CG 3.31Å |
| 241 | L | 93.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -80.2 | -25.7 | -177.1 | -67.6 | 173.8 | 0 | 0 | 0 | 113.6 | M237 K238 S244 I245 Y478 N482 | M237-L241 HydrophobicContact CE-CD1 3.72Å; M237-L241 HydrophobicContact CG-CD1 3.76Å; M237-L241 HydrophobicContact CG-CG 4.44Å; M237-L241 WeakPolarHBondContact O-CB 3.34Å; M237-L241 VanDerWaalsContact O-CG 3.31Å; M237-L241 WeakPolarHBondContact O-CG 3.45Å; M237-L241 PolarHBondContact O-N 2.68Å; K238-L241 PolarHBondContact O-N 2.85Å; L241-S244 PolarHBondContact O-N 2.99Å; L241-S244 PolarHBondContact O-OG 3.09Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.31Å; L241-I245 VanDerWaalsContact O-N 3.14Å; L241-Y478 HydrophobicContact CD1-CD1 4.11Å; L241-Y478 HydrophobicContact CD1-CE1 3.73Å; L241-N482 HydrophobicContact CD1-CB 4.15Å; L241-N482 HydrophobicContact CD2-CB 4.49Å |
| 242 | T | 94.3 | Very high | 94.7 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.5 | -55.9 | 177.3 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | K238 S244 I245 L246 N281 I282 | K238-T242 WeakPolarHBondContact O-CB 3.49Å; K238-T242 PolarHBondContact O-N 2.99Å; K238-T242 PolarHBondContact O-OG1 2.9Å; T242-S244 VanDerWaalsContact C-N 3.3Å; T242-S244 PolarHBondContact O-N 3.34Å; T242-I245 PolarHBondContact O-N 3.31Å; T242-L246 VanDerWaalsContact O-CB 3.25Å; T242-L246 WeakPolarHBondContact O-CB 3.3Å; T242-L246 PolarHBondContact O-N 2.74Å; T242-N281 WeakPolarHBondContact OG1-CB 3.13Å; T242-N281 PolarHBondContact OG1-O 2.83Å; T242-I282 HydrophobicContact CG2-CG1 4.4Å |
| 243 | P | 95.6 | Very high | 94.8 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -34.7 | -177.8 | 25 | -34.7 | 0 | 0 | 0 | 112.3 | T239 F240 L246 I247 | T239-P243 WeakPolarHBondContact O-CD 3.46Å; F240-P243 WeakPolarHBondContact O-CD 3.42Å; F240-P243 WeakPolarHBondContact O-CG 3.31Å; P243-L246 PolarHBondContact O-N 2.96Å; P243-I247 WeakPolarHBondContact O-CB 3.12Å; P243-I247 WeakPolarHBondContact O-CD1 3.49Å; P243-I247 WeakPolarHBondContact O-CG1 3.22Å; P243-I247 PolarHBondContact O-N 3.35Å |
| 244 | S | 94 | Very high | 94.7 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | -179.6 | 66.8 | 0 | 0 | 0 | 0 | 112 | L241 T242 I248 | L241-S244 PolarHBondContact O-N 2.99Å; L241-S244 PolarHBondContact O-OG 3.09Å; T242-S244 VanDerWaalsContact C-N 3.3Å; T242-S244 PolarHBondContact O-N 3.34Å; S244-I248 WeakPolarHBondContact O-CG2 3.24Å; S244-I248 PolarHBondContact O-N 3.26Å |
| 245 | I | 94.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 175.8 | -61.7 | -58.5 | 0 | 0 | 0 | 111.4 | L241 T242 I248 M249 M277 T278 N482 F486 M489 | L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.31Å; L241-I245 VanDerWaalsContact O-N 3.14Å; T242-I245 PolarHBondContact O-N 3.31Å; I245-I248 WeakPolarHBondContact O-CG2 3.4Å; I245-I248 PolarHBondContact O-N 3.07Å; I245-M249 WeakPolarHBondContact O-CB 3.23Å; I245-M249 PolarHBondContact O-N 2.84Å; I245-M277 HydrophobicContact CG2-CB 4.46Å; I245-M277 HydrophobicContact CG2-CG 4.47Å; I245-T278 WeakPolarHBondContact CG2-OG1 3.29Å; I245-N482 WeakPolarHBondContact CG1-OD1 3.45Å; I245-F486 HydrophobicContact CD1-CB 3.94Å; I245-F486 HydrophobicContact CD1-CD2 4.39Å; I245-M489 HydrophobicContact CG2-CE 4.08Å |
| 246 | L | 95.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 55 Ų | 55 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 178.7 | -173.5 | 151.5 | 0 | 0 | 0 | 111.7 | T242 P243 M249 I250 T278 | T242-L246 VanDerWaalsContact O-CB 3.25Å; T242-L246 WeakPolarHBondContact O-CB 3.3Å; T242-L246 PolarHBondContact O-N 2.74Å; P243-L246 PolarHBondContact O-N 2.96Å; L246-M249 PolarHBondContact O-N 3.44Å; L246-I250 HydrophobicContact CD2-CD1 3.46Å; L246-I250 VanDerWaalsContact CD2-CD1 3.46Å; L246-I250 HydrophobicContact CD2-CG1 4.32Å; L246-I250 HydrophobicContact CG-CD1 4.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.39Å; L246-I250 PolarHBondContact O-N 3.27Å; L246-T278 HydrophobicContact CD1-CG2 4.5Å |
| 247 | I | 96.6 | Very high | 94.1 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.3 | -47.8 | 177.9 | -71 | 164.6 | 0 | 0 | 0 | 110.7 | P243 M249 I250 W251 | P243-I247 WeakPolarHBondContact O-CB 3.12Å; P243-I247 WeakPolarHBondContact O-CD1 3.49Å; P243-I247 WeakPolarHBondContact O-CG1 3.22Å; P243-I247 PolarHBondContact O-N 3.35Å; I247-M249 VanDerWaalsContact C-N 3.31Å; I247-M249 PolarHBondContact O-N 2.71Å; I247-I250 PolarHBondContact O-N 3.45Å; I247-W251 VanDerWaalsContact O-CB 3.24Å; I247-W251 WeakPolarHBondContact O-CB 3.2Å; I247-W251 PolarHBondContact O-N 3.22Å |
| 248 | I | 95.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | -180 | -168.2 | 69.8 | 0 | 0 | 0 | 111.4 | S244 I245 W251 Y252 F486 M489 F490 | S244-I248 WeakPolarHBondContact O-CG2 3.24Å; S244-I248 PolarHBondContact O-N 3.26Å; I245-I248 WeakPolarHBondContact O-CG2 3.4Å; I245-I248 PolarHBondContact O-N 3.07Å; I248-W251 HydrophobicContact CD1-CD2 4.22Å; I248-W251 HydrophobicContact CD1-CE3 3.43Å; I248-W251 VanDerWaalsContact CD1-CE3 3.43Å; I248-W251 HydrophobicContact CD1-CZ3 3.71Å; I248-W251 HydrophobicContact CG1-CE3 4.3Å; I248-W251 PolarHBondContact O-N 3.05Å; I248-Y252 WeakPolarHBondContact O-CB 3.41Å; I248-Y252 PolarHBondContact O-N 2.96Å; I248-F486 HydrophobicContact CB-CD2 4.01Å; I248-F486 HydrophobicContact CB-CE2 3.86Å; I248-F486 HydrophobicContact CD1-CE2 4.28Å; I248-F486 HydrophobicContact CD1-CZ 4.38Å; I248-F486 HydrophobicContact CG1-CD2 4.19Å; I248-F486 HydrophobicContact CG1-CE2 4.04Å; I248-F486 HydrophobicContact CG2-CD2 3.71Å; I248-F486 HydrophobicContact CG2-CE2 4.08Å; I248-M489 HydrophobicContact CG1-CB 4.14Å; I248-M489 HydrophobicContact CG2-CE 3.54Å; I248-M489 HydrophobicContact CG2-SD 4.32Å; I248-F490 HydrophobicContact CD1-CB 4.3Å; I248-F490 HydrophobicContact CD1-CD2 4.19Å |
| 249 | M | 95.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 176.6 | -179.3 | -175.5 | 69.5 | 0 | 0 | 111.7 | I245 L246 I247 W251 Y252 W253 F271 I275 M489 | I245-M249 WeakPolarHBondContact O-CB 3.23Å; I245-M249 PolarHBondContact O-N 2.84Å; L246-M249 PolarHBondContact O-N 3.44Å; I247-M249 VanDerWaalsContact C-N 3.31Å; I247-M249 PolarHBondContact O-N 2.71Å; M249-W251 VanDerWaalsContact C-N 3.32Å; M249-W251 PolarHBondContact O-N 3.29Å; M249-Y252 PolarHBondContact O-N 2.93Å; M249-W253 PolarHBondContact O-N 2.78Å; M249-F271 HydrophobicContact CG-CD2 3.98Å; M249-F271 HydrophobicContact CG-CE2 3.66Å; M249-F271 HydrophobicContact SD-CE2 4.25Å; M249-I275 HydrophobicContact SD-CB 4.43Å; M249-I275 HydrophobicContact SD-CG1 3.7Å; M249-M489 HydrophobicContact CB-CE 4.34Å; M249-M489 HydrophobicContact CB-SD 3.93Å; M249-M489 HydrophobicContact CG-SD 4.36Å |
| 250 | I | 96.1 | Very high | 92.8 | Very high | 102 Ų | 102 | 67.1 Ų | 67.1 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.9 | -68 | 176 | 0 | 0 | 0 | 110.2 | L246 I247 W253 R254 | L246-I250 HydrophobicContact CD2-CD1 3.46Å; L246-I250 VanDerWaalsContact CD2-CD1 3.46Å; L246-I250 HydrophobicContact CD2-CG1 4.32Å; L246-I250 HydrophobicContact CG-CD1 4.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.39Å; L246-I250 PolarHBondContact O-N 3.27Å; I247-I250 PolarHBondContact O-N 3.45Å; I250-W253 PolarHBondContact O-N 3.32Å; I250-R254 VanDerWaalsContact O-CB 3.26Å; I250-R254 WeakPolarHBondContact O-CB 3.44Å; I250-R254 PolarHBondContact O-N 2.93Å |
| 251 | W | 95.6 | Very high | 92.3 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 177.5 | 172.8 | 88.6 | 0 | 0 | 0 | 112.1 | I5 I247 I248 M249 R254 R255 F490 A493 | I5-W251 HydrophobicContact CD1-CH2 3.62Å; I5-W251 HydrophobicContact CD1-CZ2 4.2Å; I247-W251 VanDerWaalsContact O-CB 3.24Å; I247-W251 WeakPolarHBondContact O-CB 3.2Å; I247-W251 PolarHBondContact O-N 3.22Å; I248-W251 HydrophobicContact CD1-CD2 4.22Å; I248-W251 HydrophobicContact CD1-CE3 3.43Å; I248-W251 VanDerWaalsContact CD1-CE3 3.43Å; I248-W251 HydrophobicContact CD1-CZ3 3.71Å; I248-W251 HydrophobicContact CG1-CE3 4.3Å; I248-W251 PolarHBondContact O-N 3.05Å; M249-W251 VanDerWaalsContact C-N 3.32Å; M249-W251 PolarHBondContact O-N 3.29Å; W251-R254 PolarHBondContact O-N 2.87Å; W251-R255 HydrophobicContact CD2-CG 4.34Å; W251-R255 HydrophobicContact CZ2-CG 4.29Å; W251-R255 VanDerWaalsContact O-CG 3.25Å; W251-R255 WeakPolarHBondContact O-CG 3.48Å; W251-R255 PolarHBondContact O-N 3.22Å; W251-F490 HydrophobicContact CH2-CD2 4.03Å; W251-F490 HydrophobicContact CH2-CE2 4.33Å; W251-F490 HydrophobicContact CZ3-CD2 4.19Å; W251-A493 HydrophobicContact CE3-CB 4.43Å; W251-A493 HydrophobicContact CH2-CB 3.48Å; W251-A493 VanDerWaalsContact CH2-CB 3.48Å; W251-A493 HydrophobicContact CZ3-CB 3.41Å; W251-A493 VanDerWaalsContact CZ3-CB 3.41Å |
| 252 | Y | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 178.5 | 173.2 | -105.8 | 0 | 0 | 0 | 111.2 | I248 M249 R254 R255 I256 E267 I270 F271 M489 A493 | I248-Y252 WeakPolarHBondContact O-CB 3.41Å; I248-Y252 PolarHBondContact O-N 2.96Å; M249-Y252 PolarHBondContact O-N 2.93Å; Y252-R254 PolarHBondContact O-N 2.89Å; Y252-R255 WeakPolarHBondContact O-CB 3.4Å; Y252-R255 PolarHBondContact O-N 3.39Å; Y252-I256 HydrophobicContact CD1-CD1 3.82Å; Y252-I256 HydrophobicContact CD2-CD1 4.29Å; Y252-I256 HydrophobicContact CE1-CD1 3.33Å; Y252-I256 HydrophobicContact CE2-CD1 3.87Å; Y252-I256 HydrophobicContact CG-CD1 4.28Å; Y252-I256 WeakPolarHBondContact O-CG1 3.46Å; Y252-I256 PolarHBondContact O-N 3.5Å; Y252-I256 VanDerWaalsContact O-N 3.13Å; Y252-E267 VanDerWaalsContact OH-CA 3.25Å; Y252-E267 WeakPolarHBondContact OH-CA 3.41Å; Y252-E267 PolarHBondContact OH-O 2.89Å; Y252-E267 VanDerWaalsContact OH-O 3.14Å; Y252-I270 HydrophobicContact CE1-CB 4.34Å; Y252-I270 HydrophobicContact CE1-CG2 3.83Å; Y252-I270 HydrophobicContact CE2-CG2 4.31Å; Y252-F271 HydrophobicContact CD1-CB 4.48Å; Y252-F271 HydrophobicContact CD1-CD2 4.34Å; Y252-F271 HydrophobicContact CE1-CB 4.05Å; Y252-M489 HydrophobicContact CD2-CB 4.4Å; Y252-M489 WeakPolarHBondContact CD2-O 3.33Å; Y252-M489 HydrophobicContact CG-CB 4.33Å; Y252-M489 HydrophobicContact CG-CG 4.46Å; Y252-A493 HydrophobicContact CD2-CB 3.87Å; Y252-A493 HydrophobicContact CE2-CB 4.37Å |
| 253 | W | 94.5 | Very high | 91.5 | Very high | 85 Ų | 85 | 70.8 Ų | 70.8 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 179.1 | -168.4 | -112.6 | 0 | 0 | 0 | 112.4 | M249 I250 R255 I256 T257 F271 | M249-W253 PolarHBondContact O-N 2.78Å; I250-W253 PolarHBondContact O-N 3.32Å; W253-R255 VanDerWaalsContact C-N 3.26Å; W253-R255 PolarHBondContact O-N 3.42Å; W253-I256 HydrophobicContact CE3-CD1 4.24Å; W253-I256 WeakPolarHBondContact O-CB 3.33Å; W253-I256 PolarHBondContact O-N 2.62Å; W253-I256 VanDerWaalsContact O-N 3.08Å; W253-T257 HydrophobicContact CD2-CG2 4.48Å; W253-T257 HydrophobicContact CG-CG2 4.48Å; W253-T257 WeakPolarHBondContact O-CG2 3.37Å; W253-T257 PolarHBondContact O-N 2.84Å; W253-T257 PolarHBondContact O-OG1 3.49Å; W253-F271 HydrophobicContact CB-CD2 4.03Å; W253-F271 HydrophobicContact CB-CE2 3.62Å; W253-F271 HydrophobicContact CB-CZ 4.2Å; W253-F271 HydrophobicContact CD2-CD1 4.14Å; W253-F271 HydrophobicContact CD2-CD2 4.12Å; W253-F271 AromaticContact CD2-CE1 3.97Å; W253-F271 HydrophobicContact CD2-CE1 3.97Å; W253-F271 AromaticContact CD2-CE2 3.97Å; W253-F271 HydrophobicContact CD2-CE2 3.97Å; W253-F271 HydrophobicContact CD2-CG 4.21Å; W253-F271 AromaticContact CD2-CZ 3.88Å; W253-F271 HydrophobicContact CD2-CZ 3.88Å; W253-F271 HydrophobicContact CE3-CB 3.98Å; W253-F271 AromaticContact CE3-CD1 3.61Å; W253-F271 HydrophobicContact CE3-CD1 3.61Å; W253-F271 AromaticContact CE3-CD2 3.69Å; W253-F271 HydrophobicContact CE3-CD2 3.69Å; W253-F271 AromaticContact CE3-CE1 3.93Å; W253-F271 HydrophobicContact CE3-CE1 3.93Å; W253-F271 HydrophobicContact CE3-CE2 4.02Å; W253-F271 AromaticContact CE3-CG 3.47Å; W253-F271 HydrophobicContact CE3-CG 3.47Å; W253-F271 VanDerWaalsContact CE3-CG 3.47Å; W253-F271 HydrophobicContact CE3-CZ 4.13Å; W253-F271 HydrophobicContact CG-CD2 4.3Å; W253-F271 HydrophobicContact CG-CE1 4.47Å; W253-F271 AromaticContact CG-CE2 3.81Å; W253-F271 HydrophobicContact CG-CE2 3.81Å; W253-F271 AromaticContact CG-CZ 3.91Å; W253-F271 HydrophobicContact CG-CZ 3.91Å; W253-F271 HydrophobicContact CH2-CD1 4.24Å; W253-F271 HydrophobicContact CH2-CE1 4.49Å; W253-F271 HydrophobicContact CZ3-CB 4.05Å; W253-F271 AromaticContact CZ3-CD1 3.67Å; W253-F271 HydrophobicContact CZ3-CD1 3.67Å; W253-F271 HydrophobicContact CZ3-CD2 4.48Å; W253-F271 HydrophobicContact CZ3-CE1 4.2Å; W253-F271 AromaticContact CZ3-CG 3.82Å; W253-F271 HydrophobicContact CZ3-CG 3.82Å |
| 254 | R | 93.8 | Very high | 91.1 | Very high | 174 Ų | 174 | 69.5 Ų | 69.5 | 66% | 0.657 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.5 | -38.1 | 175 | -177.1 | 179.1 | 176.2 | -173.7 | 0.4 | 111.9 | I250 W251 Y252 I256 T257 L258 | I250-R254 VanDerWaalsContact O-CB 3.26Å; I250-R254 WeakPolarHBondContact O-CB 3.44Å; I250-R254 PolarHBondContact O-N 2.93Å; W251-R254 PolarHBondContact O-N 2.87Å; Y252-R254 PolarHBondContact O-N 2.89Å; R254-I256 VanDerWaalsContact C-N 3.33Å; R254-T257 PolarHBondContact O-OG1 2.84Å; R254-L258 HydrophobicContact CG-CD1 4.35Å; R254-L258 WeakPolarHBondContact O-CD1 3.03Å; R254-L258 VanDerWaalsContact O-CG 3.24Å; R254-L258 WeakPolarHBondContact O-CG 3.35Å; R254-L258 PolarHBondContact O-N 3.43Å |
| 255 | R | 90.8 | Very high | 90.7 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 176.8 | -72.2 | -76 | -76.9 | -153.3 | -9.9 | 112.2 | W251 Y252 W253 P494 H496 | W251-R255 HydrophobicContact CD2-CG 4.34Å; W251-R255 HydrophobicContact CZ2-CG 4.29Å; W251-R255 VanDerWaalsContact O-CG 3.25Å; W251-R255 WeakPolarHBondContact O-CG 3.48Å; W251-R255 PolarHBondContact O-N 3.22Å; Y252-R255 WeakPolarHBondContact O-CB 3.4Å; Y252-R255 PolarHBondContact O-N 3.39Å; W253-R255 VanDerWaalsContact C-N 3.26Å; W253-R255 PolarHBondContact O-N 3.42Å; R255-P494 HydrophobicContact CB-CG 4.34Å; R255-P494 VanDerWaalsContact CZ-O 3.26Å; R255-P494 PolarHBondContact NE-O 3.07Å; R255-P494 PolarHBondContact NH2-O 3.17Å; R255-H496 PolarHBondContact NH1-CD2 3.49Å |
| 256 | I | 89.7 | Confident | 90.3 | Very high | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.2 | -46.8 | 177.3 | -69.9 | 165.5 | 0 | 0 | 0 | 111 | Y252 W253 R254 L258 M259 P263 E267 P494 | Y252-I256 HydrophobicContact CD1-CD1 3.82Å; Y252-I256 HydrophobicContact CD2-CD1 4.29Å; Y252-I256 HydrophobicContact CE1-CD1 3.33Å; Y252-I256 HydrophobicContact CE2-CD1 3.87Å; Y252-I256 HydrophobicContact CG-CD1 4.28Å; Y252-I256 WeakPolarHBondContact O-CG1 3.46Å; Y252-I256 PolarHBondContact O-N 3.5Å; Y252-I256 VanDerWaalsContact O-N 3.13Å; W253-I256 HydrophobicContact CE3-CD1 4.24Å; W253-I256 WeakPolarHBondContact O-CB 3.33Å; W253-I256 PolarHBondContact O-N 2.62Å; W253-I256 VanDerWaalsContact O-N 3.08Å; R254-I256 VanDerWaalsContact C-N 3.33Å; I256-L258 VanDerWaalsContact C-N 3.26Å; I256-L258 PolarHBondContact O-N 2.97Å; I256-M259 HydrophobicContact CG2-CE 4.45Å; I256-M259 WeakPolarHBondContact O-CB 3.32Å; I256-M259 PolarHBondContact O-N 3.42Å; I256-M259 VanDerWaalsContact O-N 3.11Å; I256-P263 HydrophobicContact CG2-CB 3.71Å; I256-E267 HydrophobicContact CD1-CB 3.93Å; I256-E267 HydrophobicContact CD1-CG 4.18Å; I256-P494 HydrophobicContact CG1-CG 4.03Å |
| 257 | T | 89.3 | Confident | 90 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.7 | -20.5 | -176.9 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | W253 R254 M259 | W253-T257 HydrophobicContact CD2-CG2 4.48Å; W253-T257 HydrophobicContact CG-CG2 4.48Å; W253-T257 WeakPolarHBondContact O-CG2 3.37Å; W253-T257 PolarHBondContact O-N 2.84Å; W253-T257 PolarHBondContact O-OG1 3.49Å; R254-T257 PolarHBondContact O-OG1 2.84Å; T257-M259 PolarHBondContact O-N 3.15Å |
| 258 | L | 88.4 | Confident | 89.8 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.9 | 173.2 | -73.5 | 170.7 | 0 | 0 | 0 | 113.6 | R254 I256 | R254-L258 HydrophobicContact CG-CD1 4.35Å; R254-L258 WeakPolarHBondContact O-CD1 3.03Å; R254-L258 VanDerWaalsContact O-CG 3.24Å; R254-L258 WeakPolarHBondContact O-CG 3.35Å; R254-L258 PolarHBondContact O-N 3.43Å; I256-L258 VanDerWaalsContact C-N 3.26Å; I256-L258 PolarHBondContact O-N 2.97Å |
| 259 | M | 84.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -79.5 | 146.4 | 174.6 | -62.6 | -166.5 | -70.1 | 0 | 0 | 110.9 | I256 T257 R261 P494 | I256-M259 HydrophobicContact CG2-CE 4.45Å; I256-M259 WeakPolarHBondContact O-CB 3.32Å; I256-M259 PolarHBondContact O-N 3.42Å; I256-M259 VanDerWaalsContact O-N 3.11Å; T257-M259 PolarHBondContact O-N 3.15Å; M259-R261 HydrophobicContact CB-CG 4.16Å; M259-R261 HydrophobicContact CE-CG 4.33Å; M259-R261 PolarHBondContact O-N 3.36Å; M259-R261 HydrophobicContact SD-CG 4.5Å; M259-P494 HydrophobicContact CE-CB 4.14Å; M259-P494 HydrophobicContact CE-CG 3.43Å; M259-P494 VanDerWaalsContact CE-CG 3.43Å; M259-P494 HydrophobicContact CG-CB 4.29Å; M259-P494 HydrophobicContact CG-CG 4.35Å; M259-P494 HydrophobicContact SD-CB 3.66Å; M259-P494 HydrophobicContact SD-CG 3.67Å |
| 260 | T | 82.9 | Confident | 89.5 | Confident | 159 Ų | 159 | 65.2 Ų | 65.2 | 98% | 0.975 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.5 | -12.1 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 261 | R | 83.4 | Confident | 89.4 | Confident | 107 Ų | 107 | 62.5 Ų | 62.5 | 40% | 0.404 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -92.6 | 149.9 | 178.8 | 71.8 | 174.6 | -173.3 | 164.9 | 2.7 | 111.2 | M259 E267 | M259-R261 HydrophobicContact CB-CG 4.16Å; M259-R261 HydrophobicContact CE-CG 4.33Å; M259-R261 PolarHBondContact O-N 3.36Å; M259-R261 HydrophobicContact SD-CG 4.5Å; R261-E267 IonicContact CZ-OE1 3.56Å; R261-E267 IonicContact NH2-OE1 3.31Å; R261-E267 PolarHBondContact NH2-OE1 2.9Å |
| 262 | P | 85.4 | Confident | 89.4 | Confident | 108 Ų | 108 | 60.1 Ų | 60.1 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -65 | 150.2 | 169 | 28.5 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 263 | P | 85.6 | Confident | 89.5 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 134.7 | 179.3 | 22.4 | -31.2 | 0 | 0 | 0 | 111.9 | I256 E267 K268 | I256-P263 HydrophobicContact CG2-CB 3.71Å; P263-E267 WeakPolarHBondContact CA-OE2 3.34Å; P263-K268 HydrophobicContact CB-CG 4.17Å; P263-K268 HydrophobicContact CG-CG 4.43Å; P263-K268 WeakPolarHBondContact O-CE 3.32Å |
| 264 | V | 86.8 | Confident | 89.5 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 163.2 | 178 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | L266 E267 K268 | V264-L266 VanDerWaalsContact C-N 3.32Å; V264-L266 PolarHBondContact O-N 3.42Å; V264-E267 HydrophobicContact CG2-CB 3.9Å; V264-E267 HydrophobicContact CG2-CG 3.53Å; V264-E267 PolarHBondContact N-OE2 3.38Å; V264-E267 VanDerWaalsContact N-OE2 3.16Å; V264-E267 PolarHBondContact O-N 3.48Å; V264-E267 VanDerWaalsContact O-N 3.16Å; V264-K268 PolarHBondContact O-N 3.01Å; V264-K268 VanDerWaalsContact O-N 3.16Å |
| 265 | L | 86.1 | Confident | 89.6 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.1 | -45.4 | -177.1 | -179.4 | 63.4 | 0 | 0 | 0 | 111.8 | E267 K268 V269 I317 N330 F332 Y335 | L265-E267 VanDerWaalsContact C-N 3.32Å; L265-E267 PolarHBondContact O-N 3.36Å; L265-K268 PolarHBondContact O-N 3.31Å; L265-V269 HydrophobicContact CD1-CG2 4.26Å; L265-V269 HydrophobicContact CG-CG2 4.41Å; L265-V269 WeakPolarHBondContact O-CG2 3.38Å; L265-V269 PolarHBondContact O-N 3.08Å; L265-I317 HydrophobicContact CD2-CG2 4.07Å; L265-I317 HydrophobicContact CG-CG2 4.26Å; L265-N330 PolarHBondContact N-OD1 2.92Å; L265-F332 HydrophobicContact CD1-CB 4.35Å; L265-F332 HydrophobicContact CD1-CD2 4.42Å; L265-Y335 HydrophobicContact CD2-CD2 3.75Å; L265-Y335 HydrophobicContact CD2-CE2 3.63Å |
| 266 | L | 85.4 | Confident | 89.9 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 179.1 | -174.5 | 64.8 | 0 | 0 | 0 | 112.6 | V264 K268 V269 I270 F314 F318 Y492 | V264-L266 VanDerWaalsContact C-N 3.32Å; V264-L266 PolarHBondContact O-N 3.42Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 3.32Å; L266-V269 PolarHBondContact O-N 2.88Å; L266-I270 HydrophobicContact CD1-CD1 4.38Å; L266-I270 HydrophobicContact CG-CD1 4.03Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.26Å; L266-I270 PolarHBondContact O-N 3.4Å; L266-F314 HydrophobicContact CD1-CE2 4.1Å; L266-F318 HydrophobicContact CD1-CB 4.41Å; L266-F318 HydrophobicContact CD1-CD2 3.93Å; L266-F318 HydrophobicContact CD2-CD2 4.4Å; L266-Y492 HydrophobicContact CD2-CD1 4.19Å; L266-Y492 HydrophobicContact CD2-CE1 3.93Å |
| 267 | E | 90.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.065 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 178.7 | -77.1 | 170.2 | 177 | 0 | 0 | 111.5 | Y252 I256 R261 P263 V264 L265 F271 | Y252-E267 VanDerWaalsContact OH-CA 3.25Å; Y252-E267 WeakPolarHBondContact OH-CA 3.41Å; Y252-E267 PolarHBondContact OH-O 2.89Å; Y252-E267 VanDerWaalsContact OH-O 3.14Å; I256-E267 HydrophobicContact CD1-CB 3.93Å; I256-E267 HydrophobicContact CD1-CG 4.18Å; R261-E267 IonicContact CZ-OE1 3.56Å; R261-E267 IonicContact NH2-OE1 3.31Å; R261-E267 PolarHBondContact NH2-OE1 2.9Å; P263-E267 WeakPolarHBondContact CA-OE2 3.34Å; V264-E267 HydrophobicContact CG2-CB 3.9Å; V264-E267 HydrophobicContact CG2-CG 3.53Å; V264-E267 PolarHBondContact N-OE2 3.38Å; V264-E267 VanDerWaalsContact N-OE2 3.16Å; V264-E267 PolarHBondContact O-N 3.48Å; V264-E267 VanDerWaalsContact O-N 3.16Å; L265-E267 VanDerWaalsContact C-N 3.32Å; L265-E267 PolarHBondContact O-N 3.36Å; E267-F271 WeakPolarHBondContact O-CB 3.36Å; E267-F271 PolarHBondContact O-N 3.48Å |
| 268 | K | 91.4 | Very high | 90.4 | Very high | 107 Ų | 107 | 45.8 Ų | 45.8 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.9 | -66.2 | 177 | -179.3 | 177.2 | 0 | 112.2 | P263 V264 L265 L266 F271 A272 | P263-K268 HydrophobicContact CB-CG 4.17Å; P263-K268 HydrophobicContact CG-CG 4.43Å; P263-K268 WeakPolarHBondContact O-CE 3.32Å; V264-K268 PolarHBondContact O-N 3.01Å; V264-K268 VanDerWaalsContact O-N 3.16Å; L265-K268 PolarHBondContact O-N 3.31Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 3.32Å; K268-F271 WeakPolarHBondContact O-CB 3.4Å; K268-F271 PolarHBondContact O-N 3.22Å; K268-A272 WeakPolarHBondContact O-CB 3.28Å; K268-A272 PolarHBondContact O-N 3.31Å |
| 269 | V | 92 | Very high | 90.8 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 111 | L265 L266 F271 A272 L273 F314 I317 | L265-V269 HydrophobicContact CD1-CG2 4.26Å; L265-V269 HydrophobicContact CG-CG2 4.41Å; L265-V269 WeakPolarHBondContact O-CG2 3.38Å; L265-V269 PolarHBondContact O-N 3.08Å; L266-V269 PolarHBondContact O-N 2.88Å; V269-F271 VanDerWaalsContact C-N 3.33Å; V269-F271 PolarHBondContact O-N 2.86Å; V269-A272 PolarHBondContact O-N 2.89Å; V269-L273 WeakPolarHBondContact O-CB 3.44Å; V269-L273 PolarHBondContact O-N 3.19Å; V269-F314 HydrophobicContact CG1-CB 3.92Å; V269-F314 HydrophobicContact CG1-CD2 4.08Å; V269-I317 HydrophobicContact CG1-CD1 4.39Å; V269-I317 HydrophobicContact CG2-CD1 3.8Å; V269-I317 HydrophobicContact CG2-CG2 4.38Å |
| 270 | I | 93.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 172.8 | -69.6 | 169.9 | 0 | 0 | 0 | 111.1 | Y252 L266 L273 G274 F314 I488 M489 Y492 | Y252-I270 HydrophobicContact CE1-CB 4.34Å; Y252-I270 HydrophobicContact CE1-CG2 3.83Å; Y252-I270 HydrophobicContact CE2-CG2 4.31Å; L266-I270 HydrophobicContact CD1-CD1 4.38Å; L266-I270 HydrophobicContact CG-CD1 4.03Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.26Å; L266-I270 PolarHBondContact O-N 3.4Å; I270-L273 PolarHBondContact O-N 3.33Å; I270-G274 PolarHBondContact O-N 2.72Å; I270-F314 HydrophobicContact CD1-CE2 4.21Å; I270-F314 HydrophobicContact CG1-CD2 4.06Å; I270-F314 HydrophobicContact CG1-CE2 3.59Å; I270-I488 HydrophobicContact CB-CG2 4.33Å; I270-I488 HydrophobicContact CD1-CG2 3.7Å; I270-I488 HydrophobicContact CG1-CG2 3.68Å; I270-I488 HydrophobicContact CG2-CG2 3.74Å; I270-M489 HydrophobicContact CG2-CG 3.81Å; I270-Y492 HydrophobicContact CD1-CD1 4.26Å; I270-Y492 HydrophobicContact CD1-CD2 4.18Å; I270-Y492 HydrophobicContact CD1-CG 3.77Å |
| 271 | F | 95.1 | Very high | 91.8 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.6 | -177.4 | -118.7 | 0 | 0 | 0 | 111.8 | M249 Y252 W253 E267 K268 V269 L273 G274 I275 | M249-F271 HydrophobicContact CG-CD2 3.98Å; M249-F271 HydrophobicContact CG-CE2 3.66Å; M249-F271 HydrophobicContact SD-CE2 4.25Å; Y252-F271 HydrophobicContact CD1-CB 4.48Å; Y252-F271 HydrophobicContact CD1-CD2 4.34Å; Y252-F271 HydrophobicContact CE1-CB 4.05Å; W253-F271 HydrophobicContact CB-CD2 4.03Å; W253-F271 HydrophobicContact CB-CE2 3.62Å; W253-F271 HydrophobicContact CB-CZ 4.2Å; W253-F271 HydrophobicContact CD2-CD1 4.14Å; W253-F271 HydrophobicContact CD2-CD2 4.12Å; W253-F271 AromaticContact CD2-CE1 3.97Å; W253-F271 HydrophobicContact CD2-CE1 3.97Å; W253-F271 AromaticContact CD2-CE2 3.97Å; W253-F271 HydrophobicContact CD2-CE2 3.97Å; W253-F271 HydrophobicContact CD2-CG 4.21Å; W253-F271 AromaticContact CD2-CZ 3.88Å; W253-F271 HydrophobicContact CD2-CZ 3.88Å; W253-F271 HydrophobicContact CE3-CB 3.98Å; W253-F271 AromaticContact CE3-CD1 3.61Å; W253-F271 HydrophobicContact CE3-CD1 3.61Å; W253-F271 AromaticContact CE3-CD2 3.69Å; W253-F271 HydrophobicContact CE3-CD2 3.69Å; W253-F271 AromaticContact CE3-CE1 3.93Å; W253-F271 HydrophobicContact CE3-CE1 3.93Å; W253-F271 HydrophobicContact CE3-CE2 4.02Å; W253-F271 AromaticContact CE3-CG 3.47Å; W253-F271 HydrophobicContact CE3-CG 3.47Å; W253-F271 VanDerWaalsContact CE3-CG 3.47Å; W253-F271 HydrophobicContact CE3-CZ 4.13Å; W253-F271 HydrophobicContact CG-CD2 4.3Å; W253-F271 HydrophobicContact CG-CE1 4.47Å; W253-F271 AromaticContact CG-CE2 3.81Å; W253-F271 HydrophobicContact CG-CE2 3.81Å; W253-F271 AromaticContact CG-CZ 3.91Å; W253-F271 HydrophobicContact CG-CZ 3.91Å; W253-F271 HydrophobicContact CH2-CD1 4.24Å; W253-F271 HydrophobicContact CH2-CE1 4.49Å; W253-F271 HydrophobicContact CZ3-CB 4.05Å; W253-F271 AromaticContact CZ3-CD1 3.67Å; W253-F271 HydrophobicContact CZ3-CD1 3.67Å; W253-F271 HydrophobicContact CZ3-CD2 4.48Å; W253-F271 HydrophobicContact CZ3-CE1 4.2Å; W253-F271 AromaticContact CZ3-CG 3.82Å; W253-F271 HydrophobicContact CZ3-CG 3.82Å; E267-F271 WeakPolarHBondContact O-CB 3.36Å; E267-F271 PolarHBondContact O-N 3.48Å; K268-F271 WeakPolarHBondContact O-CB 3.4Å; K268-F271 PolarHBondContact O-N 3.22Å; V269-F271 VanDerWaalsContact C-N 3.33Å; V269-F271 PolarHBondContact O-N 2.86Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 3.46Å; F271-G274 WeakPolarHBondContact O-CA 3.38Å; F271-G274 PolarHBondContact O-N 2.79Å; F271-G274 VanDerWaalsContact O-N 3.11Å; F271-I275 HydrophobicContact CD1-CD1 3.9Å; F271-I275 HydrophobicContact CE1-CD1 3.55Å; F271-I275 HydrophobicContact CE1-CG1 4.39Å; F271-I275 HydrophobicContact CZ-CD1 3.91Å; F271-I275 HydrophobicContact CZ-CG1 4.34Å; F271-I275 WeakPolarHBondContact O-CG1 3.42Å; F271-I275 PolarHBondContact O-N 3.11Å |
| 272 | A | 94.9 | Very high | 92.3 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K268 V269 I275 S276 M310 | K268-A272 WeakPolarHBondContact O-CB 3.28Å; K268-A272 PolarHBondContact O-N 3.31Å; V269-A272 PolarHBondContact O-N 2.89Å; A272-I275 PolarHBondContact O-N 2.7Å; A272-S276 PolarHBondContact O-N 3.3Å; A272-S276 PolarHBondContact O-OG 2.93Å; A272-M310 HydrophobicContact CB-CE 3.44Å; A272-M310 VanDerWaalsContact CB-CE 3.44Å |
| 273 | L | 95.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 171.4 | -176 | 66 | 0 | 0 | 0 | 112.1 | V269 I270 F271 S276 M277 F307 M310 L311 F314 V485 | V269-L273 WeakPolarHBondContact O-CB 3.44Å; V269-L273 PolarHBondContact O-N 3.19Å; I270-L273 PolarHBondContact O-N 3.33Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 3.46Å; L273-S276 PolarHBondContact O-OG 2.93Å; L273-M277 WeakPolarHBondContact O-CB 3.01Å; L273-M277 PolarHBondContact O-N 3.34Å; L273-F307 HydrophobicContact CD1-CD2 4.14Å; L273-F307 HydrophobicContact CD1-CE2 3.78Å; L273-M310 HydrophobicContact CD1-CB 4.37Å; L273-L311 HydrophobicContact CD1-CB 4.11Å; L273-L311 HydrophobicContact CD1-CD1 4.25Å; L273-L311 HydrophobicContact CD2-CD1 4.41Å; L273-F314 HydrophobicContact CD2-CB 4.29Å; L273-F314 HydrophobicContact CD2-CD1 4.19Å; L273-F314 HydrophobicContact CD2-CD2 4.45Å; L273-F314 HydrophobicContact CD2-CG 4.03Å; L273-V485 HydrophobicContact CD2-CG2 4.17Å; L273-V485 HydrophobicContact CG-CG2 4.08Å |
| 274 | G | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I270 F271 T278 | I270-G274 PolarHBondContact O-N 2.72Å; F271-G274 WeakPolarHBondContact O-CA 3.38Å; F271-G274 PolarHBondContact O-N 2.79Å; F271-G274 VanDerWaalsContact O-N 3.11Å; G274-T278 WeakPolarHBondContact O-CB 3.38Å; G274-T278 PolarHBondContact O-N 2.64Å; G274-T278 PolarHBondContact O-OG1 3.05Å |
| 275 | I | 96.4 | Very high | 93 | Very high | 82 Ų | 82 | 27 Ų | 27 | 42% | 0.421 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.2 | -49 | 175.1 | -68.7 | 169 | 0 | 0 | 0 | 110.6 | M249 F271 A272 M277 T278 F279 | M249-I275 HydrophobicContact SD-CB 4.43Å; M249-I275 HydrophobicContact SD-CG1 3.7Å; F271-I275 HydrophobicContact CD1-CD1 3.9Å; F271-I275 HydrophobicContact CE1-CD1 3.55Å; F271-I275 HydrophobicContact CE1-CG1 4.39Å; F271-I275 HydrophobicContact CZ-CD1 3.91Å; F271-I275 HydrophobicContact CZ-CG1 4.34Å; F271-I275 WeakPolarHBondContact O-CG1 3.42Å; F271-I275 PolarHBondContact O-N 3.11Å; A272-I275 PolarHBondContact O-N 2.7Å; I275-M277 VanDerWaalsContact C-N 3.32Å; I275-M277 PolarHBondContact O-N 3.49Å; I275-T278 PolarHBondContact O-N 3.32Å; I275-F279 WeakPolarHBondContact O-CB 3.5Å; I275-F279 PolarHBondContact O-N 3.38Å |
| 276 | S | 96.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 179.7 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | A272 L273 F279 I280 | A272-S276 PolarHBondContact O-N 3.3Å; A272-S276 PolarHBondContact O-OG 2.93Å; L273-S276 PolarHBondContact O-OG 2.93Å; S276-F279 WeakPolarHBondContact O-CB 3.45Å; S276-F279 PolarHBondContact O-N 3.43Å; S276-I280 PolarHBondContact O-N 3.11Å; S276-I280 VanDerWaalsContact O-N 3.17Å |
| 277 | M | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 173.6 | -164 | 66.8 | -162.9 | 0 | 0 | 112.3 | I245 L273 I275 F279 I280 N281 F307 Y478 W481 N482 V485 | I245-M277 HydrophobicContact CG2-CB 4.46Å; I245-M277 HydrophobicContact CG2-CG 4.47Å; L273-M277 WeakPolarHBondContact O-CB 3.01Å; L273-M277 PolarHBondContact O-N 3.34Å; I275-M277 VanDerWaalsContact C-N 3.32Å; I275-M277 PolarHBondContact O-N 3.49Å; M277-F279 VanDerWaalsContact C-N 3.27Å; M277-F279 PolarHBondContact O-N 3.07Å; M277-I280 PolarHBondContact O-N 3.01Å; M277-N281 PolarHBondContact O-N 2.69Å; M277-N281 VanDerWaalsContact O-N 3.1Å; M277-N281 PolarHBondContact O-OD1 3.28Å; M277-F307 HydrophobicContact CB-CD2 4.38Å; M277-F307 HydrophobicContact CB-CE2 4.22Å; M277-F307 HydrophobicContact CG-CE2 4.41Å; M277-F307 HydrophobicContact SD-CD2 3.84Å; M277-F307 HydrophobicContact SD-CE1 4.43Å; M277-F307 HydrophobicContact SD-CE2 3.34Å; M277-F307 WeakPolarHBondContact SD-CE2 3.36Å; M277-F307 HydrophobicContact SD-CZ 3.68Å; M277-Y478 HydrophobicContact CE-CE2 4.23Å; M277-W481 HydrophobicContact CE-CB 4.28Å; M277-N482 HydrophobicContact CE-CB 4.02Å; M277-N482 WeakPolarHBondContact CE-ND2 3.45Å; M277-N482 VanDerWaalsContact CE-OD1 3.28Å; M277-N482 WeakPolarHBondContact CE-OD1 3.39Å; M277-V485 HydrophobicContact CB-CB 4.43Å; M277-V485 HydrophobicContact CB-CG1 3.92Å; M277-V485 HydrophobicContact CB-CG2 4.26Å; M277-V485 HydrophobicContact CG-CB 4.18Å; M277-V485 HydrophobicContact CG-CG1 4.11Å; M277-V485 HydrophobicContact CG-CG2 4.14Å; M277-V485 HydrophobicContact SD-CG2 4.25Å |
| 278 | T | 95.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | I245 L246 G274 I275 I280 N281 I282 | I245-T278 WeakPolarHBondContact CG2-OG1 3.29Å; L246-T278 HydrophobicContact CD1-CG2 4.5Å; G274-T278 WeakPolarHBondContact O-CB 3.38Å; G274-T278 PolarHBondContact O-N 2.64Å; G274-T278 PolarHBondContact O-OG1 3.05Å; I275-T278 PolarHBondContact O-N 3.32Å; T278-I280 VanDerWaalsContact C-N 3.35Å; T278-I280 PolarHBondContact O-N 3.36Å; T278-N281 PolarHBondContact O-N 3.45Å; T278-I282 HydrophobicContact CG2-CD1 4.48Å; T278-I282 HydrophobicContact CG2-CG1 4.42Å; T278-I282 WeakPolarHBondContact O-CG1 3.48Å; T278-I282 PolarHBondContact O-N 2.92Å |
| 279 | F | 95.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 32.5 Ų | 32.5 | 30% | 0.303 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.1 | -38.8 | -180 | -171.5 | -137.1 | 0 | 0 | 0 | 113.2 | I275 S276 M277 F299 R303 I306 | I275-F279 WeakPolarHBondContact O-CB 3.5Å; I275-F279 PolarHBondContact O-N 3.38Å; S276-F279 WeakPolarHBondContact O-CB 3.45Å; S276-F279 PolarHBondContact O-N 3.43Å; M277-F279 VanDerWaalsContact C-N 3.27Å; M277-F279 PolarHBondContact O-N 3.07Å; F279-F299 HydrophobicContact CE2-CE2 4.06Å; F279-F299 AromaticContact CE2-CZ 3.67Å; F279-F299 HydrophobicContact CE2-CZ 3.67Å; F279-F299 AromaticContact CZ-CE2 3.63Å; F279-F299 HydrophobicContact CZ-CE2 3.63Å; F279-F299 AromaticContact CZ-CZ 3.69Å; F279-F299 HydrophobicContact CZ-CZ 3.69Å; F279-R303 HydrophobicContact CD1-CB 4.33Å; F279-R303 HydrophobicContact CD1-CG 3.56Å; F279-R303 HydrophobicContact CD2-CG 4.39Å; F279-R303 HydrophobicContact CE1-CB 4.34Å; F279-R303 HydrophobicContact CE1-CG 3.34Å; F279-R303 HydrophobicContact CE2-CG 4.21Å; F279-R303 HydrophobicContact CG-CG 4.08Å; F279-R303 HydrophobicContact CZ-CG 3.68Å; F279-R303 WeakPolarHBondContact O-CD 3.36Å; F279-I306 HydrophobicContact CE1-CD1 4.12Å |
| 280 | I | 94.5 | Very high | 93 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 171.3 | -72.4 | 178.6 | 0 | 0 | 0 | 111.8 | S276 M277 T278 R303 Q304 F307 Y478 | S276-I280 PolarHBondContact O-N 3.11Å; S276-I280 VanDerWaalsContact O-N 3.17Å; M277-I280 PolarHBondContact O-N 3.01Å; T278-I280 VanDerWaalsContact C-N 3.35Å; T278-I280 PolarHBondContact O-N 3.36Å; I280-R303 HydrophobicContact CG1-CB 4.06Å; I280-Q304 HydrophobicContact CD1-CG 4.43Å; I280-F307 HydrophobicContact CD1-CB 3.23Å; I280-F307 HydrophobicContact CD1-CD1 3.93Å; I280-F307 HydrophobicContact CD1-CD2 4.3Å; I280-F307 HydrophobicContact CD1-CG 3.57Å; I280-F307 HydrophobicContact CG1-CB 4.23Å; I280-Y478 HydrophobicContact CG2-CE2 3.87Å |
| 281 | N | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74 | -30.2 | -171.7 | -67.2 | -5.4 | 0 | 0 | 0 | 113.3 | K238 T242 M277 T278 P283 Y478 N482 | K238-N281 WeakPolarHBondContact CB-O 3.25Å; T242-N281 WeakPolarHBondContact OG1-CB 3.13Å; T242-N281 PolarHBondContact OG1-O 2.83Å; M277-N281 PolarHBondContact O-N 2.69Å; M277-N281 VanDerWaalsContact O-N 3.1Å; M277-N281 PolarHBondContact O-OD1 3.28Å; T278-N281 PolarHBondContact O-N 3.45Å; N281-P283 WeakPolarHBondContact O-CD 3.4Å; N281-Y478 WeakPolarHBondContact CA-OH 3.4Å; N281-Y478 WeakPolarHBondContact OD1-CE2 3.29Å; N281-Y478 VanDerWaalsContact OD1-CZ 3.3Å; N281-Y478 PolarHBondContact OD1-OH 3.47Å; N281-N482 PolarHBondContact ND2-OD1 2.56Å; N281-N482 PolarHBondContact OD1-OD1 3Å |
| 282 | I | 94.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 42.3 Ų | 42.3 | 35% | 0.354 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -52 | 119 | 179.1 | -68 | 163.7 | 0 | 0 | 0 | 108 | T242 T278 V284 R303 | T242-I282 HydrophobicContact CG2-CG1 4.4Å; T278-I282 HydrophobicContact CG2-CD1 4.48Å; T278-I282 HydrophobicContact CG2-CG1 4.42Å; T278-I282 WeakPolarHBondContact O-CG1 3.48Å; T278-I282 PolarHBondContact O-N 2.92Å; I282-V284 HydrophobicContact CB-CG2 4.31Å; I282-V284 HydrophobicContact CG2-CG2 3.55Å; I282-V284 PolarHBondContact O-N 2.89Å; I282-R303 PolarHBondContact O-NH1 3.46Å |
| 283 | P | 93.5 | Very high | 92 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | trans | -85.7 | 61.6 | -169.8 | 38.4 | -39.6 | 0 | 0 | 0 | 110 | K238 N281 E285 W286 | K238-P283 HydrophobicContact CB-CB 4.06Å; N281-P283 WeakPolarHBondContact O-CD 3.4Å; P283-E285 WeakPolarHBondContact CA-OE2 3.43Å; P283-E285 PolarHBondContact O-N 3.27Å; P283-W286 PolarHBondContact O-N 3.19Å | ||
| 284 | V | 91.2 | Very high | 91.6 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -61 | -24.1 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | I282 W286 F287 W293 M296 F299 | I282-V284 HydrophobicContact CB-CG2 4.31Å; I282-V284 HydrophobicContact CG2-CG2 3.55Å; I282-V284 PolarHBondContact O-N 2.89Å; V284-W286 PolarHBondContact O-N 3.4Å; V284-F287 HydrophobicContact CG1-CD2 4.1Å; V284-F287 WeakPolarHBondContact O-CB 3.26Å; V284-F287 VanDerWaalsContact O-CD2 3.28Å; V284-F287 WeakPolarHBondContact O-CD2 3.28Å; V284-F287 PolarHBondContact O-N 3.19Å; V284-F287 VanDerWaalsContact O-N 3.08Å; V284-W293 HydrophobicContact CG1-CZ3 4.38Å; V284-M296 HydrophobicContact CG1-CE 4.3Å; V284-F299 HydrophobicContact CB-CE1 4.2Å; V284-F299 HydrophobicContact CG1-CE1 4.26Å; V284-F299 HydrophobicContact CG2-CE1 4.02Å |
| 285 | E | 89.1 | Confident | 91.3 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.7 | -19.8 | 178.2 | -56.7 | 83.7 | 170.3 | 0 | 0 | 113.2 | F235 K238 P283 F287 S288 M296 R303 | F235-E285 HydrophobicContact CD1-CB 4.21Å; F235-E285 HydrophobicContact CE1-CB 3.35Å; F235-E285 HydrophobicContact CE1-CG 4.14Å; F235-E285 HydrophobicContact CE2-CB 4.07Å; F235-E285 WeakPolarHBondContact CE2-O 3.43Å; F235-E285 HydrophobicContact CZ-CB 3.28Å; F235-E285 HydrophobicContact CZ-CG 4.43Å; K238-E285 VanDerWaalsContact NZ-CD 3.31Å; K238-E285 IonicContact NZ-OE1 3.54Å; K238-E285 PolarHBondContact NZ-OE1 3.23Å; K238-E285 IonicContact NZ-OE2 2.7Å; P283-E285 WeakPolarHBondContact CA-OE2 3.43Å; P283-E285 PolarHBondContact O-N 3.27Å; E285-F287 PolarHBondContact O-N 3.44Å; E285-S288 PolarHBondContact O-N 3.16Å; E285-S288 PolarHBondContact O-OG 2.97Å; E285-M296 HydrophobicContact CB-SD 4.45Å; E285-M296 HydrophobicContact CG-CG 4.21Å; E285-M296 HydrophobicContact CG-SD 3.88Å; E285-R303 IonicContact OE1-CZ 2.63Å; E285-R303 VanDerWaalsContact OE1-CZ 3.31Å; E285-R303 IonicContact OE1-NH1 3.71Å; E285-R303 PolarHBondContact OE1-NH1 3.45Å; E285-R303 VanDerWaalsContact OE1-NH1 3.11Å; E285-R303 IonicContact OE1-NH2 3.79Å; E285-R303 PolarHBondContact OE1-NH2 3.1Å; E285-R303 IonicContact OE2-NH1 3.03Å |
| 286 | W | 91 | Very high | 91 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -56.8 | -33.2 | 171.3 | -82.8 | 113.4 | 0 | 0 | 0 | 112.5 | W106 F235 T239 P283 V284 S288 V289 | W106-W286 HydrophobicContact CH2-CH2 4.24Å; W106-W286 AromaticContact CH2-CZ3 3.74Å; W106-W286 HydrophobicContact CH2-CZ3 3.74Å; W106-W286 HydrophobicContact CZ3-CZ3 4.28Å; F235-W286 HydrophobicContact CB-CZ2 3.8Å; F235-W286 AromaticContact CD2-CD2 3.77Å; F235-W286 HydrophobicContact CD2-CD2 3.77Å; F235-W286 AromaticContact CD2-CE2 3.91Å; F235-W286 HydrophobicContact CD2-CE3 4.04Å; F235-W286 HydrophobicContact CD2-CG 4.19Å; F235-W286 HydrophobicContact CD2-CZ2 4.27Å; F235-W286 HydrophobicContact CD2-CZ3 4.41Å; F235-W286 HydrophobicContact CE2-CD2 4.49Å; T239-W286 PolarHBondContact OG1-NE1 2.87Å; P283-W286 PolarHBondContact O-N 3.19Å; V284-W286 PolarHBondContact O-N 3.4Å; W286-S288 VanDerWaalsContact C-N 3.26Å; W286-S288 PolarHBondContact O-N 3.02Å; W286-V289 PolarHBondContact O-N 3.47Å |
| 287 | F | 90 | Very high | 90.7 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.2 | -24.7 | 178 | -61.3 | -62.8 | 0 | 0 | 0 | 112.5 | V284 E285 V289 G290 F291 W293 | V284-F287 HydrophobicContact CG1-CD2 4.1Å; V284-F287 WeakPolarHBondContact O-CB 3.26Å; V284-F287 VanDerWaalsContact O-CD2 3.28Å; V284-F287 WeakPolarHBondContact O-CD2 3.28Å; V284-F287 PolarHBondContact O-N 3.19Å; V284-F287 VanDerWaalsContact O-N 3.08Å; E285-F287 PolarHBondContact O-N 3.44Å; F287-V289 PolarHBondContact O-N 3.48Å; F287-G290 PolarHBondContact O-N 3.38Å; F287-F291 PolarHBondContact O-N 3.45Å; F287-W293 HydrophobicContact CB-CE3 3.98Å; F287-W293 HydrophobicContact CB-CH2 3.53Å; F287-W293 HydrophobicContact CB-CZ2 4.37Å; F287-W293 HydrophobicContact CB-CZ3 3.31Å; F287-W293 HydrophobicContact CD2-CH2 4.19Å; F287-W293 HydrophobicContact CD2-CZ3 4.03Å; F287-W293 AromaticContact CG-CH2 3.9Å; F287-W293 HydrophobicContact CG-CH2 3.9Å; F287-W293 AromaticContact CG-CZ3 3.94Å; F287-W293 HydrophobicContact CG-CZ3 3.94Å |
| 288 | S | 88.2 | Confident | 90.6 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -14.4 | 178 | 76.4 | 0 | 0 | 0 | 0 | 113.3 | E285 W286 F291 | E285-S288 PolarHBondContact O-N 3.16Å; E285-S288 PolarHBondContact O-OG 2.97Å; W286-S288 VanDerWaalsContact C-N 3.26Å; W286-S288 PolarHBondContact O-N 3.02Å; S288-F291 CarbonylContact C-O 3.59Å; S288-F291 WeakPolarHBondContact CA-O 3.01Å |
| 289 | V | 88.4 | Confident | 90.4 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.5 | -32.8 | 175.3 | -179 | 0 | 0 | 0 | 0 | 111 | P105 W106 F235 W286 F287 | P105-V289 HydrophobicContact CB-CG1 4.39Å; W106-V289 HydrophobicContact CE3-CG2 4.23Å; W106-V289 HydrophobicContact CH2-CG2 4.37Å; W106-V289 HydrophobicContact CZ2-CG1 4.21Å; W106-V289 HydrophobicContact CZ3-CG2 4.15Å; F235-V289 HydrophobicContact CE2-CG2 3.97Å; W286-V289 PolarHBondContact O-N 3.47Å; F287-V289 PolarHBondContact O-N 3.48Å |
| 290 | G | 86.1 | Confident | 90.3 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 68% | 0.68 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -100.6 | -24.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F287 | F287-G290 PolarHBondContact O-N 3.38Å |
| 291 | F | 88.1 | Confident | 90.2 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -125.3 | 139.6 | -177.6 | -60.9 | -77.9 | 0 | 0 | 0 | 111.2 | F287 S288 W293 | F287-F291 PolarHBondContact O-N 3.45Å; S288-F291 CarbonylContact C-O 3.59Å; S288-F291 WeakPolarHBondContact CA-O 3.01Å; F291-W293 HydrophobicContact CB-CD2 4.35Å; F291-W293 HydrophobicContact CB-CG 4.37Å; F291-W293 HydrophobicContact CB-CZ2 4.37Å; F291-W293 HydrophobicContact CD2-CZ2 4.36Å; F291-W293 HydrophobicContact CG-CZ2 4.46Å; F291-W293 PolarHBondContact O-N 2.92Å |
| 292 | N | 87 | Confident | 90.2 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | trans | -77.5 | 90.3 | 175.3 | -172 | 8 | 0 | 0 | 0 | 110.8 | S189 A191 | S189-N292 WeakPolarHBondContact CB-OD1 3.16Å; S189-N292 PolarHBondContact OG-OD1 3.17Å; A191-N292 HydrophobicContact CB-CB 3.54Å | ||
| 293 | W | 86.9 | Confident | 90.2 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | trans | -111.9 | 97.3 | 177.9 | -68.9 | -8.7 | 0 | 0 | 0 | 111.1 | V284 F287 F291 W295 M296 | V284-W293 HydrophobicContact CG1-CZ3 4.38Å; F287-W293 HydrophobicContact CB-CE3 3.98Å; F287-W293 HydrophobicContact CB-CH2 3.53Å; F287-W293 HydrophobicContact CB-CZ2 4.37Å; F287-W293 HydrophobicContact CB-CZ3 3.31Å; F287-W293 HydrophobicContact CD2-CH2 4.19Å; F287-W293 HydrophobicContact CD2-CZ3 4.03Å; F287-W293 AromaticContact CG-CH2 3.9Å; F287-W293 HydrophobicContact CG-CH2 3.9Å; F287-W293 AromaticContact CG-CZ3 3.94Å; F287-W293 HydrophobicContact CG-CZ3 3.94Å; F291-W293 HydrophobicContact CB-CD2 4.35Å; F291-W293 HydrophobicContact CB-CG 4.37Å; F291-W293 HydrophobicContact CB-CZ2 4.37Å; F291-W293 HydrophobicContact CD2-CZ2 4.36Å; F291-W293 HydrophobicContact CG-CZ2 4.46Å; F291-W293 PolarHBondContact O-N 2.92Å; W293-W295 VanDerWaalsContact C-N 3.27Å; W293-W295 HydrophobicContact CB-CZ2 4.5Å; W293-W295 AromaticContact CD2-CZ2 3.89Å; W293-W295 HydrophobicContact CD2-CZ2 3.89Å; W293-W295 HydrophobicContact CE3-CH2 4.08Å; W293-W295 AromaticContact CE3-CZ2 3.67Å; W293-W295 HydrophobicContact CE3-CZ2 3.67Å; W293-W295 HydrophobicContact CG-CZ2 4.25Å; W293-W295 AromaticContact CG-NE1 3.96Å; W293-W295 HydrophobicContact CZ3-CH2 4.37Å; W293-W295 HydrophobicContact CZ3-CZ2 4.19Å; W293-W295 PolarHBondContact O-N 2.91Å; W293-M296 HydrophobicContact CE3-CE 3.79Å; W293-M296 HydrophobicContact CZ3-CE 4.41Å; W293-M296 PolarHBondContact O-N 3.45Å | ||
| 294 | T | 86.7 | Confident | 90.2 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -22.4 | -177.9 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | M296 L361 | T294-M296 VanDerWaalsContact C-N 3.28Å; T294-M296 PolarHBondContact O-N 2.89Å; T294-L361 VanDerWaalsContact C-CD2 3.47Å; T294-L361 VanDerWaalsContact O-CD2 3.25Å; T294-L361 WeakPolarHBondContact O-CD2 3.39Å |
| 295 | W | 90.4 | Very high | 90.4 | Very high | 101 Ų | 101 | 52.1 Ų | 52.1 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2.3 | -178.2 | 57.4 | -93.8 | 0 | 0 | 0 | 114.8 | W293 L297 L298 F299 L361 | W293-W295 VanDerWaalsContact C-N 3.27Å; W293-W295 HydrophobicContact CB-CZ2 4.5Å; W293-W295 AromaticContact CD2-CZ2 3.89Å; W293-W295 HydrophobicContact CD2-CZ2 3.89Å; W293-W295 HydrophobicContact CE3-CH2 4.08Å; W293-W295 AromaticContact CE3-CZ2 3.67Å; W293-W295 HydrophobicContact CE3-CZ2 3.67Å; W293-W295 HydrophobicContact CG-CZ2 4.25Å; W293-W295 AromaticContact CG-NE1 3.96Å; W293-W295 HydrophobicContact CZ3-CH2 4.37Å; W293-W295 HydrophobicContact CZ3-CZ2 4.19Å; W293-W295 PolarHBondContact O-N 2.91Å; W295-L297 VanDerWaalsContact C-N 3.31Å; W295-L297 PolarHBondContact O-N 3.29Å; W295-L298 PolarHBondContact O-N 2.97Å; W295-F299 HydrophobicContact CE3-CB 3.67Å; W295-F299 HydrophobicContact CE3-CG 4.18Å; W295-F299 HydrophobicContact CZ3-CB 3.72Å; W295-F299 HydrophobicContact CZ3-CD1 4.03Å; W295-F299 HydrophobicContact CZ3-CD2 4.14Å; W295-F299 AromaticContact CZ3-CG 3.71Å; W295-F299 HydrophobicContact CZ3-CG 3.71Å; W295-F299 PolarHBondContact O-N 3.38Å; W295-L361 HydrophobicContact CB-CD1 4.03Å; W295-L361 HydrophobicContact CB-CD2 4.07Å |
| 296 | M | 89.4 | Confident | 90.7 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | -174.6 | -170.9 | 59.8 | 71.2 | 0 | 0 | 113.2 | V284 E285 W293 T294 F299 G300 | V284-M296 HydrophobicContact CG1-CE 4.3Å; E285-M296 HydrophobicContact CB-SD 4.45Å; E285-M296 HydrophobicContact CG-CG 4.21Å; E285-M296 HydrophobicContact CG-SD 3.88Å; W293-M296 HydrophobicContact CE3-CE 3.79Å; W293-M296 HydrophobicContact CZ3-CE 4.41Å; W293-M296 PolarHBondContact O-N 3.45Å; T294-M296 VanDerWaalsContact C-N 3.28Å; T294-M296 PolarHBondContact O-N 2.89Å; M296-F299 PolarHBondContact O-N 2.86Å; M296-G300 PolarHBondContact O-N 3.48Å |
| 297 | L | 89.9 | Confident | 90.9 | Very high | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -53 | 179.3 | -80.2 | 65.4 | 0 | 0 | 0 | 110.5 | F109 E186 G188 W295 F299 G300 D301 | F109-L297 HydrophobicContact CB-CD1 4.03Å; F109-L297 HydrophobicContact CB-CD2 3.78Å; F109-L297 HydrophobicContact CB-CG 4.36Å; F109-L297 HydrophobicContact CG-CD2 4.28Å; E186-L297 WeakPolarHBondContact OE1-CD2 3.45Å; G188-L297 VanDerWaalsContact CA-CD1 3.43Å; G188-L297 WeakPolarHBondContact O-CD1 3.39Å; W295-L297 VanDerWaalsContact C-N 3.31Å; W295-L297 PolarHBondContact O-N 3.29Å; L297-F299 VanDerWaalsContact C-N 3.25Å; L297-F299 PolarHBondContact O-N 3.19Å; L297-G300 CarbonylContact O-C 3.57Å; L297-G300 VanDerWaalsContact O-CA 3.29Å; L297-G300 WeakPolarHBondContact O-CA 3.47Å; L297-G300 PolarHBondContact O-N 3.06Å; L297-D301 PolarHBondContact O-N 3.03Å |
| 298 | L | 92.5 | Very high | 91 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.5 | -42.6 | 177.5 | -179 | 66.1 | 0 | 0 | 0 | 111.4 | W295 G300 D301 I302 D353 M354 R357 L361 | W295-L298 PolarHBondContact O-N 2.97Å; L298-G300 VanDerWaalsContact C-N 3.32Å; L298-G300 PolarHBondContact O-N 3.2Å; L298-D301 PolarHBondContact O-N 2.63Å; L298-I302 HydrophobicContact CD1-CD1 4.26Å; L298-I302 HydrophobicContact CG-CD1 3.94Å; L298-I302 VanDerWaalsContact O-CG1 3.24Å; L298-I302 WeakPolarHBondContact O-CG1 3.29Å; L298-I302 PolarHBondContact O-N 3.34Å; L298-D353 HydrophobicContact CD1-CB 4.37Å; L298-M354 HydrophobicContact CD1-SD 4.12Å; L298-M354 HydrophobicContact CD2-SD 3.9Å; L298-M354 HydrophobicContact CG-SD 4.45Å; L298-R357 HydrophobicContact CD1-CB 4.17Å; L298-L361 HydrophobicContact CD2-CD1 4.1Å |
| 299 | F | 93 | Very high | 91.3 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 20% | 0.202 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 175.4 | -177.9 | -109.6 | 0 | 0 | 0 | 113.1 | F279 V284 W295 M296 L297 R303 | F279-F299 HydrophobicContact CE2-CE2 4.06Å; F279-F299 AromaticContact CE2-CZ 3.67Å; F279-F299 HydrophobicContact CE2-CZ 3.67Å; F279-F299 AromaticContact CZ-CE2 3.63Å; F279-F299 HydrophobicContact CZ-CE2 3.63Å; F279-F299 AromaticContact CZ-CZ 3.69Å; F279-F299 HydrophobicContact CZ-CZ 3.69Å; V284-F299 HydrophobicContact CB-CE1 4.2Å; V284-F299 HydrophobicContact CG1-CE1 4.26Å; V284-F299 HydrophobicContact CG2-CE1 4.02Å; W295-F299 HydrophobicContact CE3-CB 3.67Å; W295-F299 HydrophobicContact CE3-CG 4.18Å; W295-F299 HydrophobicContact CZ3-CB 3.72Å; W295-F299 HydrophobicContact CZ3-CD1 4.03Å; W295-F299 HydrophobicContact CZ3-CD2 4.14Å; W295-F299 AromaticContact CZ3-CG 3.71Å; W295-F299 HydrophobicContact CZ3-CG 3.71Å; W295-F299 PolarHBondContact O-N 3.38Å; M296-F299 PolarHBondContact O-N 2.86Å; L297-F299 VanDerWaalsContact C-N 3.25Å; L297-F299 PolarHBondContact O-N 3.19Å; F299-R303 VanDerWaalsContact CD1-CZ 3.48Å; F299-R303 HydrophobicContact CE1-CG 4.34Å; F299-R303 VanDerWaalsContact CE1-CZ 3.43Å; F299-R303 HydrophobicContact CZ-CG 4.26Å; F299-R303 WeakPolarHBondContact O-CB 3.43Å; F299-R303 VanDerWaalsContact O-CG 3.23Å; F299-R303 WeakPolarHBondContact O-CG 3.32Å; F299-R303 PolarHBondContact O-N 3.34Å; F299-R303 PolarHBondContact O-NE 3.48Å; F299-R303 VanDerWaalsContact O-NE 3.09Å |
| 300 | G | 91.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M296 L297 L298 R303 Q304 | M296-G300 PolarHBondContact O-N 3.48Å; L297-G300 CarbonylContact O-C 3.57Å; L297-G300 VanDerWaalsContact O-CA 3.29Å; L297-G300 WeakPolarHBondContact O-CA 3.47Å; L297-G300 PolarHBondContact O-N 3.06Å; L298-G300 VanDerWaalsContact C-N 3.32Å; L298-G300 PolarHBondContact O-N 3.2Å; G300-R303 WeakPolarHBondContact O-CB 3.47Å; G300-R303 PolarHBondContact O-N 2.89Å; G300-Q304 WeakPolarHBondContact O-CG 3.41Å; G300-Q304 PolarHBondContact O-N 3.18Å; G300-Q304 VanDerWaalsContact O-N 3.09Å |
| 301 | D | 92.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 48 Ų | 48 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -45.7 | -178.8 | -55.5 | -36.1 | 0 | 0 | 0 | 111.6 | L297 L298 R303 Q304 G305 R357 | L297-D301 PolarHBondContact O-N 3.03Å; L298-D301 PolarHBondContact O-N 2.63Å; D301-R303 VanDerWaalsContact C-N 3.28Å; D301-R303 PolarHBondContact O-N 3.47Å; D301-Q304 PolarHBondContact O-N 2.91Å; D301-Q304 VanDerWaalsContact O-N 3.11Å; D301-G305 PolarHBondContact O-N 3.28Å; D301-R357 IonicContact OD1-NH1 2.72Å; D301-R357 PolarHBondContact OD1-NH1 2.86Å; D301-R357 WeakPolarHBondContact OD2-CD 3.41Å; D301-R357 IonicContact OD2-CZ 3.83Å; D301-R357 IonicContact OD2-NE 3.18Å; D301-R357 IonicContact OD2-NH1 2.99Å; D301-R357 PolarHBondContact OD2-NH1 3.5Å |
| 302 | I | 94.2 | Very high | 92 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 22% | 0.221 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 176.7 | -68.3 | 166.8 | 0 | 0 | 0 | 110.5 | L298 Q304 G305 I306 F350 | L298-I302 HydrophobicContact CD1-CD1 4.26Å; L298-I302 HydrophobicContact CG-CD1 3.94Å; L298-I302 VanDerWaalsContact O-CG1 3.24Å; L298-I302 WeakPolarHBondContact O-CG1 3.29Å; L298-I302 PolarHBondContact O-N 3.34Å; I302-Q304 PolarHBondContact O-N 2.9Å; I302-G305 PolarHBondContact O-N 2.9Å; I302-I306 HydrophobicContact CG2-CD1 3.8Å; I302-I306 HydrophobicContact CG2-CG1 4.47Å; I302-I306 VanDerWaalsContact O-CG1 3.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.43Å; I302-I306 PolarHBondContact O-N 3.26Å; I302-F350 HydrophobicContact CD1-CE2 3.85Å; I302-F350 HydrophobicContact CG1-CD2 4.11Å; I302-F350 HydrophobicContact CG1-CE2 3.9Å |
| 303 | R | 94.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 176.4 | -81.2 | -176.3 | -69.3 | 164.2 | 0.8 | 111.9 | F279 I280 I282 E285 F299 G300 D301 F307 | F279-R303 HydrophobicContact CD1-CB 4.33Å; F279-R303 HydrophobicContact CD1-CG 3.56Å; F279-R303 HydrophobicContact CD2-CG 4.39Å; F279-R303 HydrophobicContact CE1-CB 4.34Å; F279-R303 HydrophobicContact CE1-CG 3.34Å; F279-R303 HydrophobicContact CE2-CG 4.21Å; F279-R303 HydrophobicContact CG-CG 4.08Å; F279-R303 HydrophobicContact CZ-CG 3.68Å; F279-R303 WeakPolarHBondContact O-CD 3.36Å; I280-R303 HydrophobicContact CG1-CB 4.06Å; I282-R303 PolarHBondContact O-NH1 3.46Å; E285-R303 IonicContact OE1-CZ 2.63Å; E285-R303 VanDerWaalsContact OE1-CZ 3.31Å; E285-R303 IonicContact OE1-NH1 3.71Å; E285-R303 PolarHBondContact OE1-NH1 3.45Å; E285-R303 VanDerWaalsContact OE1-NH1 3.11Å; E285-R303 IonicContact OE1-NH2 3.79Å; E285-R303 PolarHBondContact OE1-NH2 3.1Å; E285-R303 IonicContact OE2-NH1 3.03Å; F299-R303 VanDerWaalsContact CD1-CZ 3.48Å; F299-R303 HydrophobicContact CE1-CG 4.34Å; F299-R303 VanDerWaalsContact CE1-CZ 3.43Å; F299-R303 HydrophobicContact CZ-CG 4.26Å; F299-R303 WeakPolarHBondContact O-CB 3.43Å; F299-R303 VanDerWaalsContact O-CG 3.23Å; F299-R303 WeakPolarHBondContact O-CG 3.32Å; F299-R303 PolarHBondContact O-N 3.34Å; F299-R303 PolarHBondContact O-NE 3.48Å; F299-R303 VanDerWaalsContact O-NE 3.09Å; G300-R303 WeakPolarHBondContact O-CB 3.47Å; G300-R303 PolarHBondContact O-N 2.89Å; D301-R303 VanDerWaalsContact C-N 3.28Å; D301-R303 PolarHBondContact O-N 3.47Å; R303-F307 PolarHBondContact O-N 3.41Å |
| 304 | Q | 93.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 37.6 Ų | 37.6 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 178.6 | -68.5 | -179.2 | 33.4 | 0 | 0 | 112.1 | I280 G300 D301 I302 I306 F307 Y308 | I280-Q304 HydrophobicContact CD1-CG 4.43Å; G300-Q304 WeakPolarHBondContact O-CG 3.41Å; G300-Q304 PolarHBondContact O-N 3.18Å; G300-Q304 VanDerWaalsContact O-N 3.09Å; D301-Q304 PolarHBondContact O-N 2.91Å; D301-Q304 VanDerWaalsContact O-N 3.11Å; I302-Q304 PolarHBondContact O-N 2.9Å; Q304-I306 PolarHBondContact O-N 2.76Å; Q304-F307 PolarHBondContact O-N 3.34Å; Q304-Y308 HydrophobicContact CB-CE2 4.08Å; Q304-Y308 VanDerWaalsContact O-CD2 3.28Å; Q304-Y308 WeakPolarHBondContact O-CD2 3.47Å; Q304-Y308 PolarHBondContact O-N 2.86Å |
| 305 | G | 94.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 36% | 0.361 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | D301 I302 F307 Y308 S309 | D301-G305 PolarHBondContact O-N 3.28Å; I302-G305 PolarHBondContact O-N 2.9Å; G305-F307 PolarHBondContact O-N 2.93Å; G305-Y308 PolarHBondContact O-N 3.42Å; G305-S309 WeakPolarHBondContact O-CB 3.25Å; G305-S309 PolarHBondContact O-N 2.85Å |
| 306 | I | 95.1 | Very high | 92.4 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.3 | -69.8 | 166 | 0 | 0 | 0 | 110.9 | F279 I302 Q304 S309 M310 | F279-I306 HydrophobicContact CE1-CD1 4.12Å; I302-I306 HydrophobicContact CG2-CD1 3.8Å; I302-I306 HydrophobicContact CG2-CG1 4.47Å; I302-I306 VanDerWaalsContact O-CG1 3.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.43Å; I302-I306 PolarHBondContact O-N 3.26Å; Q304-I306 PolarHBondContact O-N 2.76Å; I306-S309 PolarHBondContact O-N 3.46Å; I306-M310 HydrophobicContact CG2-CG 4.46Å; I306-M310 WeakPolarHBondContact O-CB 3.29Å; I306-M310 VanDerWaalsContact O-CG 3.29Å; I306-M310 WeakPolarHBondContact O-CG 3.36Å; I306-M310 PolarHBondContact O-N 2.9Å |
| 307 | F | 95.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.8 | 172.5 | -104.1 | 0 | 0 | 0 | 112.5 | L273 M277 I280 R303 Q304 G305 S309 M310 L311 W481 V485 | L273-F307 HydrophobicContact CD1-CD2 4.14Å; L273-F307 HydrophobicContact CD1-CE2 3.78Å; M277-F307 HydrophobicContact CB-CD2 4.38Å; M277-F307 HydrophobicContact CB-CE2 4.22Å; M277-F307 HydrophobicContact CG-CE2 4.41Å; M277-F307 HydrophobicContact SD-CD2 3.84Å; M277-F307 HydrophobicContact SD-CE1 4.43Å; M277-F307 HydrophobicContact SD-CE2 3.34Å; M277-F307 WeakPolarHBondContact SD-CE2 3.36Å; M277-F307 HydrophobicContact SD-CZ 3.68Å; I280-F307 HydrophobicContact CD1-CB 3.23Å; I280-F307 HydrophobicContact CD1-CD1 3.93Å; I280-F307 HydrophobicContact CD1-CD2 4.3Å; I280-F307 HydrophobicContact CD1-CG 3.57Å; I280-F307 HydrophobicContact CG1-CB 4.23Å; R303-F307 PolarHBondContact O-N 3.41Å; Q304-F307 PolarHBondContact O-N 3.34Å; G305-F307 PolarHBondContact O-N 2.93Å; F307-S309 PolarHBondContact O-N 3.24Å; F307-M310 PolarHBondContact O-N 3.46Å; F307-L311 HydrophobicContact CE1-CD2 4.07Å; F307-L311 HydrophobicContact CZ-CD2 4.22Å; F307-L311 VanDerWaalsContact O-CB 3.31Å; F307-L311 WeakPolarHBondContact O-CB 3.22Å; F307-L311 PolarHBondContact O-N 3.36Å; F307-W481 HydrophobicContact CE1-CB 4.44Å; F307-W481 HydrophobicContact CE1-CG 4.45Å; F307-W481 HydrophobicContact CZ-CB 4.21Å; F307-V485 HydrophobicContact CE2-CG2 4.07Å; F307-V485 HydrophobicContact CZ-CG2 4.42Å |
| 308 | Y | 93.1 | Very high | 92.1 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 42% | 0.42 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 178.2 | -63 | -36.6 | 0 | 0 | 0 | 111.6 | Q304 G305 M310 L311 L312 | Q304-Y308 HydrophobicContact CB-CE2 4.08Å; Q304-Y308 VanDerWaalsContact O-CD2 3.28Å; Q304-Y308 WeakPolarHBondContact O-CD2 3.47Å; Q304-Y308 PolarHBondContact O-N 2.86Å; G305-Y308 PolarHBondContact O-N 3.42Å; Y308-M310 VanDerWaalsContact C-N 3.32Å; Y308-M310 PolarHBondContact O-N 3.46Å; Y308-L311 PolarHBondContact O-N 3.43Å; Y308-L312 VanDerWaalsContact O-CG 3.3Å; Y308-L312 WeakPolarHBondContact O-CG 3.43Å; Y308-L312 PolarHBondContact O-N 2.95Å |
| 309 | S | 93.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 175.3 | -161.8 | 0 | 0 | 0 | 0 | 112 | G305 I306 F307 S313 S346 | G305-S309 WeakPolarHBondContact O-CB 3.25Å; G305-S309 PolarHBondContact O-N 2.85Å; I306-S309 PolarHBondContact O-N 3.46Å; F307-S309 PolarHBondContact O-N 3.24Å; S309-S313 VanDerWaalsContact O-CB 3.29Å; S309-S313 WeakPolarHBondContact O-CB 3.43Å; S309-S313 PolarHBondContact O-N 2.99Å; S309-S313 PolarHBondContact O-OG 3.39Å; S309-S346 WeakPolarHBondContact CB-OG 3.17Å; S309-S346 PolarHBondContact OG-OG 3.35Å |
| 310 | M | 94 | Very high | 90.8 | Very high | 51 Ų | 51 | 28.5 Ų | 28.5 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68.4 | -37.1 | 177 | -72.3 | -55.5 | -51.7 | 0 | 0 | 113.1 | A272 L273 I306 F307 Y308 S313 F314 | A272-M310 HydrophobicContact CB-CE 3.44Å; A272-M310 VanDerWaalsContact CB-CE 3.44Å; L273-M310 HydrophobicContact CD1-CB 4.37Å; I306-M310 HydrophobicContact CG2-CG 4.46Å; I306-M310 WeakPolarHBondContact O-CB 3.29Å; I306-M310 VanDerWaalsContact O-CG 3.29Å; I306-M310 WeakPolarHBondContact O-CG 3.36Å; I306-M310 PolarHBondContact O-N 2.9Å; F307-M310 PolarHBondContact O-N 3.46Å; Y308-M310 VanDerWaalsContact C-N 3.32Å; Y308-M310 PolarHBondContact O-N 3.46Å; M310-S313 PolarHBondContact O-N 3.06Å; M310-F314 WeakPolarHBondContact O-CB 3.44Å; M310-F314 PolarHBondContact O-N 3.09Å |
| 311 | L | 92.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 178.5 | 178.6 | 65.9 | 0 | 0 | 0 | 111.4 | L273 F307 Y308 S313 F314 W315 W481 Y484 | L273-L311 HydrophobicContact CD1-CB 4.11Å; L273-L311 HydrophobicContact CD1-CD1 4.25Å; L273-L311 HydrophobicContact CD2-CD1 4.41Å; F307-L311 HydrophobicContact CE1-CD2 4.07Å; F307-L311 HydrophobicContact CZ-CD2 4.22Å; F307-L311 VanDerWaalsContact O-CB 3.31Å; F307-L311 WeakPolarHBondContact O-CB 3.22Å; F307-L311 PolarHBondContact O-N 3.36Å; Y308-L311 PolarHBondContact O-N 3.43Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.14Å; L311-F314 WeakPolarHBondContact O-CB 3.35Å; L311-F314 PolarHBondContact O-N 3.17Å; L311-W315 HydrophobicContact CD1-CZ2 4.16Å; L311-W315 HydrophobicContact CD2-CH2 4.21Å; L311-W315 HydrophobicContact CD2-CZ2 4.19Å; L311-W315 HydrophobicContact CG-CH2 4.39Å; L311-W315 HydrophobicContact CG-CZ2 4.13Å; L311-W315 PolarHBondContact O-N 2.7Å; L311-W481 HydrophobicContact CD1-CE3 4.46Å; L311-W481 HydrophobicContact CD1-CZ3 4.06Å; L311-W481 HydrophobicContact CD2-CD2 4.46Å; L311-W481 HydrophobicContact CD2-CE3 3.9Å; L311-W481 HydrophobicContact CD2-CH2 3.81Å; L311-W481 HydrophobicContact CD2-CZ2 4.35Å; L311-W481 HydrophobicContact CD2-CZ3 3.56Å; L311-W481 HydrophobicContact CG-CZ3 4.41Å; L311-Y484 HydrophobicContact CD1-CD1 4.47Å; L311-Y484 HydrophobicContact CD1-CE1 3.77Å |
| 312 | L | 91.5 | Very high | 89.2 | Confident | 49 Ų | 49 | 29.1 Ų | 29.1 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.9 | -40 | 176.4 | -64.8 | -179.4 | 0 | 0 | 0 | 111.2 | Y308 F314 W315 I316 I342 Y392 | Y308-L312 VanDerWaalsContact O-CG 3.3Å; Y308-L312 WeakPolarHBondContact O-CG 3.43Å; Y308-L312 PolarHBondContact O-N 2.95Å; L312-F314 VanDerWaalsContact C-N 3.35Å; L312-W315 HydrophobicContact CD2-CE3 3.81Å; L312-W315 HydrophobicContact CD2-CZ3 3.76Å; L312-W315 PolarHBondContact O-N 3.44Å; L312-I316 PolarHBondContact O-N 3.32Å; L312-I342 HydrophobicContact CB-CD1 4.05Å; L312-I342 HydrophobicContact CB-CG2 4.04Å; L312-I342 HydrophobicContact CD1-CG2 4.39Å; L312-Y392 WeakPolarHBondContact CA-OH 3.14Å; L312-Y392 HydrophobicContact CB-CE1 4.34Å; L312-Y392 HydrophobicContact CB-CE2 4.04Å; L312-Y392 HydrophobicContact CD2-CE1 3.7Å; L312-Y392 HydrophobicContact CG-CE1 4.4Å; L312-Y392 WeakPolarHBondContact O-CE2 3.41Å; L312-Y392 PolarHBondContact O-OH 3.27Å |
| 313 | S | 91.3 | Very high | 88 | Confident | 9 Ų | 9 | 27.7 Ų | 27.7 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 174 | -61 | 0 | 0 | 0 | 0 | 111.7 | S309 M310 L311 I316 I317 | S309-S313 VanDerWaalsContact O-CB 3.29Å; S309-S313 WeakPolarHBondContact O-CB 3.43Å; S309-S313 PolarHBondContact O-N 2.99Å; S309-S313 PolarHBondContact O-OG 3.39Å; M310-S313 PolarHBondContact O-N 3.06Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.14Å; S313-I316 WeakPolarHBondContact O-CG2 3.43Å; S313-I317 WeakPolarHBondContact O-CB 3.44Å; S313-I317 WeakPolarHBondContact O-CD1 3.39Å; S313-I317 VanDerWaalsContact O-CG1 3.25Å; S313-I317 WeakPolarHBondContact O-CG1 3.47Å; S313-I317 PolarHBondContact O-N 3.1Å; S313-I317 VanDerWaalsContact O-N 3.14Å |
| 314 | F | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 174.4 | 164.5 | -98.2 | 0 | 0 | 0 | 111.2 | L266 V269 I270 L273 M310 L311 L312 I316 I317 F318 Y484 I488 | L266-F314 HydrophobicContact CD1-CE2 4.1Å; V269-F314 HydrophobicContact CG1-CB 3.92Å; V269-F314 HydrophobicContact CG1-CD2 4.08Å; I270-F314 HydrophobicContact CD1-CE2 4.21Å; I270-F314 HydrophobicContact CG1-CD2 4.06Å; I270-F314 HydrophobicContact CG1-CE2 3.59Å; L273-F314 HydrophobicContact CD2-CB 4.29Å; L273-F314 HydrophobicContact CD2-CD1 4.19Å; L273-F314 HydrophobicContact CD2-CD2 4.45Å; L273-F314 HydrophobicContact CD2-CG 4.03Å; M310-F314 WeakPolarHBondContact O-CB 3.44Å; M310-F314 PolarHBondContact O-N 3.09Å; L311-F314 WeakPolarHBondContact O-CB 3.35Å; L311-F314 PolarHBondContact O-N 3.17Å; L312-F314 VanDerWaalsContact C-N 3.35Å; F314-I316 PolarHBondContact O-N 2.91Å; F314-I317 PolarHBondContact O-N 3.49Å; F314-F318 HydrophobicContact CE2-CB 4.35Å; F314-F318 HydrophobicContact CE2-CD2 4.08Å; F314-F318 HydrophobicContact CZ-CB 4.24Å; F314-F318 AromaticContact CZ-CD2 3.79Å; F314-F318 HydrophobicContact CZ-CD2 3.79Å; F314-F318 HydrophobicContact CZ-CE2 4.49Å; F314-F318 HydrophobicContact CZ-CG 4.19Å; F314-F318 WeakPolarHBondContact O-CB 3.39Å; F314-F318 PolarHBondContact O-N 3.37Å; F314-Y484 WeakPolarHBondContact CE1-OH 3.19Å; F314-I488 HydrophobicContact CE1-CD1 3.66Å; F314-I488 HydrophobicContact CE2-CG2 4.33Å; F314-I488 HydrophobicContact CZ-CD1 3.68Å; F314-I488 HydrophobicContact CZ-CG2 4.21Å |
| 315 | W | 88.9 | Confident | 84.2 | Confident | 44 Ų | 44 | 30.9 Ų | 30.9 | 17% | 0.167 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | -178.1 | -73.3 | -25 | 0 | 0 | 0 | 113.5 | L311 L312 F318 C319 L396 P439 W481 Y484 | L311-W315 HydrophobicContact CD1-CZ2 4.16Å; L311-W315 HydrophobicContact CD2-CH2 4.21Å; L311-W315 HydrophobicContact CD2-CZ2 4.19Å; L311-W315 HydrophobicContact CG-CH2 4.39Å; L311-W315 HydrophobicContact CG-CZ2 4.13Å; L311-W315 PolarHBondContact O-N 2.7Å; L312-W315 HydrophobicContact CD2-CE3 3.81Å; L312-W315 HydrophobicContact CD2-CZ3 3.76Å; L312-W315 PolarHBondContact O-N 3.44Å; W315-F318 WeakPolarHBondContact O-CB 3.4Å; W315-F318 PolarHBondContact O-N 3.48Å; W315-C319 PolarHBondContact O-N 3.38Å; W315-C319 PolarHBondContact O-SG 3.29Å; W315-C319 VanDerWaalsContact O-SG 3.35Å; W315-L396 HydrophobicContact CB-CD1 4.43Å; W315-P439 HydrophobicContact CZ2-CB 4.07Å; W315-W481 AromaticContact CH2-CH2 3.8Å; W315-W481 HydrophobicContact CH2-CH2 3.8Å; W315-W481 HydrophobicContact CH2-CZ3 4.43Å; W315-W481 AromaticContact CZ2-CH2 3.66Å; W315-W481 HydrophobicContact CZ2-CH2 3.66Å; W315-W481 AromaticContact CZ2-CZ3 3.89Å; W315-W481 HydrophobicContact CZ2-CZ3 3.89Å; W315-Y484 AromaticContact NE1-CZ 3.87Å; W315-Y484 PolarHBondContact NE1-OH 3.3Å |
| 316 | I | 87.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.1 | -41.4 | -178 | -161.8 | 153.2 | 0 | 0 | 0 | 112 | L312 S313 F314 F318 C319 G320 Q338 V339 I342 Y392 F395 | L312-I316 PolarHBondContact O-N 3.32Å; S313-I316 WeakPolarHBondContact O-CG2 3.43Å; F314-I316 PolarHBondContact O-N 2.91Å; I316-F318 VanDerWaalsContact C-N 3.32Å; I316-F318 PolarHBondContact O-N 3.11Å; I316-C319 PolarHBondContact O-N 3.2Å; I316-G320 PolarHBondContact O-N 3.17Å; I316-Q338 HydrophobicContact CD1-CB 3.58Å; I316-Q338 HydrophobicContact CD1-CG 4.05Å; I316-Q338 HydrophobicContact CG1-CB 3.96Å; I316-Q338 HydrophobicContact CG1-CG 4.4Å; I316-V339 HydrophobicContact CG2-CG2 4.19Å; I316-I342 HydrophobicContact CG2-CD1 4.15Å; I316-Y392 HydrophobicContact CB-CE2 4.03Å; I316-Y392 HydrophobicContact CD1-CD2 4.06Å; I316-Y392 HydrophobicContact CD1-CE2 3.99Å; I316-Y392 HydrophobicContact CG2-CE2 4.37Å; I316-F395 HydrophobicContact CD1-CB 4.06Å |
| 317 | I | 87.3 | Confident | 80 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 174.6 | -64.8 | 170.2 | 0 | 0 | 0 | 110.1 | L265 V269 S313 F314 G320 E321 F332 Y335 V339 | L265-I317 HydrophobicContact CD2-CG2 4.07Å; L265-I317 HydrophobicContact CG-CG2 4.26Å; V269-I317 HydrophobicContact CG1-CD1 4.39Å; V269-I317 HydrophobicContact CG2-CD1 3.8Å; V269-I317 HydrophobicContact CG2-CG2 4.38Å; S313-I317 WeakPolarHBondContact O-CB 3.44Å; S313-I317 WeakPolarHBondContact O-CD1 3.39Å; S313-I317 VanDerWaalsContact O-CG1 3.25Å; S313-I317 WeakPolarHBondContact O-CG1 3.47Å; S313-I317 PolarHBondContact O-N 3.1Å; S313-I317 VanDerWaalsContact O-N 3.14Å; F314-I317 PolarHBondContact O-N 3.49Å; I317-G320 PolarHBondContact O-N 3.31Å; I317-E321 HydrophobicContact CG2-CG 4.15Å; I317-E321 WeakPolarHBondContact O-CB 3.37Å; I317-E321 WeakPolarHBondContact O-CG 3.14Å; I317-E321 PolarHBondContact O-N 2.97Å; I317-F332 HydrophobicContact CD1-CE2 4.3Å; I317-Y335 HydrophobicContact CG1-CG 4.26Å; I317-V339 HydrophobicContact CD1-CG2 4.31Å; I317-V339 HydrophobicContact CG1-CG2 4.34Å |
| 318 | F | 84.6 | Confident | 78.1 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 176 | -178.8 | -91.2 | 0 | 0 | 0 | 111.7 | L266 F314 W315 I316 G320 H322 F432 I435 Y492 | L266-F318 HydrophobicContact CD1-CB 4.41Å; L266-F318 HydrophobicContact CD1-CD2 3.93Å; L266-F318 HydrophobicContact CD2-CD2 4.4Å; F314-F318 HydrophobicContact CE2-CB 4.35Å; F314-F318 HydrophobicContact CE2-CD2 4.08Å; F314-F318 HydrophobicContact CZ-CB 4.24Å; F314-F318 AromaticContact CZ-CD2 3.79Å; F314-F318 HydrophobicContact CZ-CD2 3.79Å; F314-F318 HydrophobicContact CZ-CE2 4.49Å; F314-F318 HydrophobicContact CZ-CG 4.19Å; F314-F318 WeakPolarHBondContact O-CB 3.39Å; F314-F318 PolarHBondContact O-N 3.37Å; W315-F318 WeakPolarHBondContact O-CB 3.4Å; W315-F318 PolarHBondContact O-N 3.48Å; I316-F318 VanDerWaalsContact C-N 3.32Å; I316-F318 PolarHBondContact O-N 3.11Å; F318-G320 VanDerWaalsContact C-N 3.3Å; F318-G320 PolarHBondContact O-N 3.09Å; F318-H322 AromaticContact CD2-CE1 3.77Å; F318-H322 AromaticContact CE2-CE1 3.3Å; F318-H322 WeakPolarHBondContact CE2-CE1 3.46Å; F318-H322 AromaticContact CE2-ND1 3.93Å; F318-H322 AromaticContact CZ-CE1 3.42Å; F318-H322 VanDerWaalsContact CZ-CE1 3.42Å; F318-H322 WeakPolarHBondContact CZ-CE1 3.33Å; F318-H322 AromaticContact CZ-ND1 3.86Å; F318-H322 AromaticContact CZ-NE2 3.94Å; F318-H322 PolarHBondContact O-N 3.22Å; F318-H322 PolarHBondContact O-ND1 3.04Å; F318-F432 HydrophobicContact CE1-CD2 4.15Å; F318-I435 HydrophobicContact CE1-CB 4.3Å; F318-I435 HydrophobicContact CE1-CG2 3.81Å; F318-I435 HydrophobicContact CE2-CG2 3.8Å; F318-I435 HydrophobicContact CZ-CB 3.77Å; F318-I435 HydrophobicContact CZ-CD1 4.44Å; F318-I435 HydrophobicContact CZ-CG2 3.33Å; F318-Y492 HydrophobicContact CE2-CE1 4.44Å; F318-Y492 HydrophobicContact CE2-CE2 4.11Å; F318-Y492 AromaticContact CE2-CZ 3.67Å; F318-Y492 WeakPolarHBondContact CE2-OH 3.48Å; F318-Y492 WeakPolarHBondContact CZ-OH 3.48Å |
| 319 | C | 80.1 | Confident | 76.4 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 176 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | W315 I316 L323 M399 | W315-C319 PolarHBondContact O-N 3.38Å; W315-C319 PolarHBondContact O-SG 3.29Å; W315-C319 VanDerWaalsContact O-SG 3.35Å; I316-C319 PolarHBondContact O-N 3.2Å; C319-L323 PolarHBondContact O-N 3.25Å; C319-M399 HydrophobicContact CB-CB 4.33Å |
| 320 | G | 79.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -49.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I316 I317 F318 H322 L323 | I316-G320 PolarHBondContact O-N 3.17Å; I317-G320 PolarHBondContact O-N 3.31Å; F318-G320 VanDerWaalsContact C-N 3.3Å; F318-G320 PolarHBondContact O-N 3.09Å; G320-H322 PolarHBondContact O-N 3.2Å; G320-L323 WeakPolarHBondContact O-CB 3.43Å; G320-L323 PolarHBondContact O-N 3.03Å |
| 321 | E | 77.6 | Confident | 74.1 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -26.1 | -178.7 | -73.5 | -66.6 | 133.5 | 0 | 0 | 112.6 | I317 L323 Y335 | I317-E321 HydrophobicContact CG2-CG 4.15Å; I317-E321 WeakPolarHBondContact O-CB 3.37Å; I317-E321 WeakPolarHBondContact O-CG 3.14Å; I317-E321 PolarHBondContact O-N 2.97Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-Y335 PolarHBondContact N-OH 3.26Å; E321-Y335 VanDerWaalsContact OE1-CE2 3.25Å; E321-Y335 WeakPolarHBondContact OE1-CE2 3.43Å; E321-Y335 PolarHBondContact OE1-OH 2.92Å |
| 322 | H | 74 | Confident | 73.2 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.8 | 173.8 | -68.4 | 81.5 | 0 | 0 | 0 | 113.3 | F318 G320 M324 F432 | F318-H322 AromaticContact CD2-CE1 3.77Å; F318-H322 AromaticContact CE2-CE1 3.3Å; F318-H322 WeakPolarHBondContact CE2-CE1 3.46Å; F318-H322 AromaticContact CE2-ND1 3.93Å; F318-H322 AromaticContact CZ-CE1 3.42Å; F318-H322 VanDerWaalsContact CZ-CE1 3.42Å; F318-H322 WeakPolarHBondContact CZ-CE1 3.33Å; F318-H322 AromaticContact CZ-ND1 3.86Å; F318-H322 AromaticContact CZ-NE2 3.94Å; F318-H322 PolarHBondContact O-N 3.22Å; F318-H322 PolarHBondContact O-ND1 3.04Å; G320-H322 PolarHBondContact O-N 3.2Å; H322-M324 PolarHBondContact O-N 3.5Å; H322-F432 HydrophobicContact CB-CD2 3.71Å; H322-F432 HydrophobicContact CB-CE2 4.38Å; H322-F432 HydrophobicContact CB-CG 4.46Å |
| 323 | L | 68.9 | Low | 72.4 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | trans | -75.7 | 105.5 | 170.9 | -169.6 | 73.5 | 0 | 0 | 0 | 109.1 | C319 G320 E321 D325 M399 Q402 V403 | C319-L323 PolarHBondContact O-N 3.25Å; G320-L323 WeakPolarHBondContact O-CB 3.43Å; G320-L323 PolarHBondContact O-N 3.03Å; E321-L323 VanDerWaalsContact C-N 3.34Å; L323-D325 PolarHBondContact O-N 3.42Å; L323-M399 HydrophobicContact CD2-CE 4.06Å; L323-Q402 HydrophobicContact CD1-CB 3.82Å; L323-V403 HydrophobicContact CB-CG2 4.13Å; L323-V403 HydrophobicContact CD1-CB 4.48Å; L323-V403 HydrophobicContact CD1-CG2 3.74Å | ||
| 324 | M | 54 | Low | 71.7 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 1.4 | -167.9 | -66.6 | -148.5 | -67.3 | 0 | 0 | 116.7 | H322 R329 K410 Y425 | H322-M324 PolarHBondContact O-N 3.5Å; M324-R329 PolarHBondContact O-NH2 3.25Å; M324-K410 HydrophobicContact CE-CD 3.42Å; M324-K410 VanDerWaalsContact CE-CD 3.42Å; M324-Y425 HydrophobicContact CE-CD1 3.44Å; M324-Y425 VanDerWaalsContact CE-CD1 3.44Å; M324-Y425 HydrophobicContact CE-CE1 3.6Å; M324-Y425 HydrophobicContact SD-CD1 3.58Å; M324-Y425 VanDerWaalsContact SD-CD1 3.58Å; M324-Y425 HydrophobicContact SD-CE1 3.63Å |
| 325 | D | 54.3 | Low | 71.1 | Confident | 112 Ų | 112 | 61 Ų | 61 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -0.9 | -164.5 | -92.4 | 17.4 | 0 | 0 | 0 | 116.7 | L323 N406 K410 | L323-D325 PolarHBondContact O-N 3.42Å; D325-N406 PolarHBondContact OD1-ND2 3.42Å; D325-K410 IonicContact OD1-NZ 3.25Å; D325-K410 PolarHBondContact OD1-NZ 3.17Å |
| 326 | Q | 53.4 | Low | 70.7 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | trans | -89.1 | 129.6 | 176.8 | -74.7 | -171 | -21.7 | 0 | 0 | 112.6 | ||||
| 327 | M | 48.2 | Very low | 70.3 | Confident | 195 Ų | 195 | 74.8 Ų | 74.8 | 96% | 0.961 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -72.5 | -22.4 | 176.8 | -76.6 | -167 | 62.7 | 0 | 0 | 113.6 | ||
| 328 | E | 54.1 | Low | 70 | Confident | 111 Ų | 111 | 76.1 Ų | 76.1 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -110.4 | 87.9 | 176.6 | -65.7 | -161.6 | -178.6 | 0 | 0 | 111.3 | R331 V334 | E328-R331 IonicContact OE2-NH1 3.81Å; E328-V334 HydrophobicContact CB-CG2 4.31Å |
| 329 | R | 58.8 | Low | 70.1 | Confident | 125 Ų | 125 | 75.9 Ų | 75.9 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | trans | -89.4 | 162.4 | 175.5 | -60.7 | -174.6 | -176.9 | -178.1 | 0.3 | 111.6 | M324 R331 | M324-R329 PolarHBondContact O-NH2 3.25Å; R329-R331 VanDerWaalsContact C-N 3.33Å; R329-R331 PolarHBondContact O-N 2.85Å | ||
| 330 | N | 65.6 | Low | 70.5 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 69.4 | 10.2 | 173 | -65 | -49.9 | 0 | 0 | 0 | 117.7 | L265 | L265-N330 PolarHBondContact N-OD1 2.92Š|
| 331 | R | 74.3 | Confident | 71.1 | Confident | 154 Ų | 154 | 77.3 Ų | 77.3 | 58% | 0.581 | 37% | 0.37 | S | S | * | . | trans | -106.6 | 122.1 | 175 | -71.1 | -178.5 | 179.8 | -176.5 | -2.5 | 110.7 | E328 R329 S333 V334 | E328-R331 IonicContact OE2-NH1 3.81Å; R329-R331 VanDerWaalsContact C-N 3.33Å; R329-R331 PolarHBondContact O-N 2.85Å; R331-S333 PolarHBondContact O-N 2.94Å; R331-V334 HydrophobicContact CB-CG2 4.03Å; R331-V334 WeakPolarHBondContact O-CB 3.32Å; R331-V334 PolarHBondContact O-N 3.49Å; R331-V334 VanDerWaalsContact O-N 3.15Å | ||
| 332 | F | 73.6 | Confident | 71.8 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -58.2 | -32.6 | 176.2 | -174.5 | -102 | 0 | 0 | 0 | 112.7 | L265 I317 V334 Y335 W336 V339 | L265-F332 HydrophobicContact CD1-CB 4.35Å; L265-F332 HydrophobicContact CD1-CD2 4.42Å; I317-F332 HydrophobicContact CD1-CE2 4.3Å; F332-V334 PolarHBondContact O-N 3Å; F332-V334 VanDerWaalsContact O-N 3.17Å; F332-Y335 PolarHBondContact O-N 2.97Å; F332-W336 HydrophobicContact CD1-CE3 4.43Å; F332-W336 AromaticContact CE1-CE3 3.72Å; F332-W336 HydrophobicContact CE1-CE3 3.72Å; F332-W336 AromaticContact CE1-CZ3 3.89Å; F332-W336 HydrophobicContact CE1-CZ3 3.89Å; F332-W336 PolarHBondContact O-N 3.47Å; F332-V339 HydrophobicContact CZ-CG1 4.09Å |
| 333 | S | 74.3 | Confident | 72.7 | Confident | 100 Ų | 100 | 78.2 Ų | 78.2 | 70% | 0.699 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -55.5 | -32.1 | 177.4 | -173.2 | 0 | 0 | 0 | 0 | 113.5 | R331 Y335 W336 | R331-S333 PolarHBondContact O-N 2.94Å; S333-Y335 VanDerWaalsContact C-N 3.27Å; S333-Y335 PolarHBondContact O-N 3.18Å; S333-W336 WeakPolarHBondContact O-CB 3.45Å; S333-W336 PolarHBondContact O-N 3.08Å |
| 334 | V | 76.2 | Confident | 73.9 | Confident | 44 Ų | 44 | 82.9 Ų | 82.9 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -66.3 | -32.4 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | E328 R331 F332 | E328-V334 HydrophobicContact CB-CG2 4.31Å; R331-V334 HydrophobicContact CB-CG2 4.03Å; R331-V334 WeakPolarHBondContact O-CB 3.32Å; R331-V334 PolarHBondContact O-N 3.49Å; R331-V334 VanDerWaalsContact O-N 3.15Å; F332-V334 PolarHBondContact O-N 3Å; F332-V334 VanDerWaalsContact O-N 3.17Å |
| 335 | Y | 79.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -92.5 | -0.3 | -178.7 | -60.2 | -72.2 | 0 | 0 | 0 | 113.5 | L265 I317 E321 F332 S333 K337 Q338 V339 | L265-Y335 HydrophobicContact CD2-CD2 3.75Å; L265-Y335 HydrophobicContact CD2-CE2 3.63Å; I317-Y335 HydrophobicContact CG1-CG 4.26Å; E321-Y335 PolarHBondContact N-OH 3.26Å; E321-Y335 VanDerWaalsContact OE1-CE2 3.25Å; E321-Y335 WeakPolarHBondContact OE1-CE2 3.43Å; E321-Y335 PolarHBondContact OE1-OH 2.92Å; F332-Y335 PolarHBondContact O-N 2.97Å; S333-Y335 VanDerWaalsContact C-N 3.27Å; S333-Y335 PolarHBondContact O-N 3.18Å; Y335-K337 VanDerWaalsContact C-N 3.25Å; Y335-K337 PolarHBondContact O-N 3.44Å; Y335-Q338 WeakPolarHBondContact O-CA 3.42Å; Y335-Q338 WeakPolarHBondContact O-CB 3.48Å; Y335-Q338 PolarHBondContact O-N 2.79Å; Y335-V339 PolarHBondContact O-N 3.34Å |
| 336 | W | 79.1 | Confident | 77.7 | Confident | 155 Ų | 155 | 77.7 Ų | 77.7 | 59% | 0.587 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.9 | -36.9 | -176.1 | -174.2 | -102.7 | 0 | 0 | 0 | 113.1 | F332 S333 Q338 G340 | F332-W336 HydrophobicContact CD1-CE3 4.43Å; F332-W336 AromaticContact CE1-CE3 3.72Å; F332-W336 HydrophobicContact CE1-CE3 3.72Å; F332-W336 AromaticContact CE1-CZ3 3.89Å; F332-W336 HydrophobicContact CE1-CZ3 3.89Å; F332-W336 PolarHBondContact O-N 3.47Å; S333-W336 WeakPolarHBondContact O-CB 3.45Å; S333-W336 PolarHBondContact O-N 3.08Å; W336-Q338 PolarHBondContact O-N 2.9Å; W336-G340 WeakPolarHBondContact O-CA 3.46Å; W336-G340 PolarHBondContact O-N 2.97Å |
| 337 | K | 80.3 | Confident | 79.7 | Confident | 178 Ų | 178 | 79.4 Ų | 79.4 | 77% | 0.774 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.7 | -26.8 | 176 | -65.2 | -177.3 | -179.9 | 179.9 | 0 | 113.1 | Y335 P341 | Y335-K337 VanDerWaalsContact C-N 3.25Å; Y335-K337 PolarHBondContact O-N 3.44Å; K337-P341 WeakPolarHBondContact O-CD 3.34Å |
| 338 | Q | 81 | Confident | 82 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -94.3 | -36.9 | -176.7 | -72.5 | 175.1 | 0.6 | 0 | 0 | 112.1 | I316 Y335 W336 M399 | I316-Q338 HydrophobicContact CD1-CB 3.58Å; I316-Q338 HydrophobicContact CD1-CG 4.05Å; I316-Q338 HydrophobicContact CG1-CB 3.96Å; I316-Q338 HydrophobicContact CG1-CG 4.4Å; Y335-Q338 WeakPolarHBondContact O-CA 3.42Å; Y335-Q338 WeakPolarHBondContact O-CB 3.48Å; Y335-Q338 PolarHBondContact O-N 2.79Å; W336-Q338 PolarHBondContact O-N 2.9Å; Q338-M399 PolarHBondContact NE2-SD 2.88Å |
| 339 | V | 85.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -82.8 | -26.8 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | I316 I317 F332 Y335 I342 V343 | I316-V339 HydrophobicContact CG2-CG2 4.19Å; I317-V339 HydrophobicContact CD1-CG2 4.31Å; I317-V339 HydrophobicContact CG1-CG2 4.34Å; F332-V339 HydrophobicContact CZ-CG1 4.09Å; Y335-V339 PolarHBondContact O-N 3.34Å; V339-I342 WeakPolarHBondContact O-CB 3.41Å; V339-I342 PolarHBondContact O-N 3.29Å; V339-V343 HydrophobicContact CG1-CG2 3.81Å; V339-V343 PolarHBondContact O-N 2.88Å |
| 340 | G | 88.5 | Confident | 85.6 | Confident | 21 Ų | 21 | 66.8 Ų | 66.8 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50.8 | -51.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | W336 I342 V343 F344 | W336-G340 WeakPolarHBondContact O-CA 3.46Å; W336-G340 PolarHBondContact O-N 2.97Å; G340-I342 VanDerWaalsContact C-N 3.28Å; G340-I342 PolarHBondContact O-N 3.44Å; G340-V343 PolarHBondContact O-N 3.23Å; G340-F344 VanDerWaalsContact O-CB 3.31Å; G340-F344 WeakPolarHBondContact O-CB 3.23Å; G340-F344 PolarHBondContact O-N 3.2Å |
| 341 | P | 92.3 | Very high | 87 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 175.6 | -25.7 | 34.6 | 0 | 0 | 0 | 113.6 | K337 G345 C388 F395 | K337-P341 WeakPolarHBondContact O-CD 3.34Å; P341-G345 PolarHBondContact O-N 3.35Å; P341-C388 HydrophobicContact CB-CB 4.32Å; P341-C388 WeakPolarHBondContact O-CB 3.21Å; P341-F395 HydrophobicContact CG-CE2 4.3Å |
| 342 | I | 93.1 | Very high | 88 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -50.9 | -180 | -52.3 | 171.4 | 0 | 0 | 0 | 109.9 | L312 I316 V339 G340 S346 Y392 | L312-I342 HydrophobicContact CB-CD1 4.05Å; L312-I342 HydrophobicContact CB-CG2 4.04Å; L312-I342 HydrophobicContact CD1-CG2 4.39Å; I316-I342 HydrophobicContact CG2-CD1 4.15Å; V339-I342 WeakPolarHBondContact O-CB 3.41Å; V339-I342 PolarHBondContact O-N 3.29Å; G340-I342 VanDerWaalsContact C-N 3.28Å; G340-I342 PolarHBondContact O-N 3.44Å; I342-S346 VanDerWaalsContact O-CB 3.29Å; I342-S346 WeakPolarHBondContact O-CB 3.48Å; I342-S346 PolarHBondContact O-N 3.41Å; I342-S346 PolarHBondContact O-OG 3.37Å; I342-Y392 HydrophobicContact CD1-CD2 3.46Å; I342-Y392 VanDerWaalsContact CD1-CD2 3.46Å; I342-Y392 HydrophobicContact CD1-CE2 3.41Å; I342-Y392 VanDerWaalsContact CD1-CE2 3.41Å; I342-Y392 HydrophobicContact CG1-CD2 3.46Å; I342-Y392 VanDerWaalsContact CG1-CD2 3.46Å; I342-Y392 HydrophobicContact CG1-CE2 3.93Å; I342-Y392 HydrophobicContact CG1-CG 4.2Å |
| 343 | V | 92 | Very high | 89 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | -178.4 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | V339 G340 S346 F347 | V339-V343 HydrophobicContact CG1-CG2 3.81Å; V339-V343 PolarHBondContact O-N 2.88Å; G340-V343 PolarHBondContact O-N 3.23Å; V343-S346 PolarHBondContact O-N 2.99Å; V343-F347 WeakPolarHBondContact O-CB 3.34Å; V343-F347 PolarHBondContact O-N 2.92Å |
| 344 | F | 94.2 | Very high | 89.9 | Confident | 112 Ų | 112 | 55 Ų | 55 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 178.7 | -175 | -109.2 | 0 | 0 | 0 | 112 | G340 S346 F347 C348 V384 | G340-F344 VanDerWaalsContact O-CB 3.31Å; G340-F344 WeakPolarHBondContact O-CB 3.23Å; G340-F344 PolarHBondContact O-N 3.2Å; F344-S346 VanDerWaalsContact C-N 3.35Å; F344-S346 PolarHBondContact O-N 3.04Å; F344-F347 WeakPolarHBondContact O-CB 3.41Å; F344-F347 PolarHBondContact O-N 3.18Å; F344-C348 PolarHBondContact O-N 2.95Å; F344-C348 PolarHBondContact O-SG 3.11Å; F344-C348 VanDerWaalsContact O-SG 3.37Å; F344-V384 HydrophobicContact CD1-CG1 4.24Å; F344-V384 HydrophobicContact CE1-CG1 3.5Å; F344-V384 VanDerWaalsContact CE1-CG1 3.5Å; F344-V384 HydrophobicContact CZ-CG1 4.27Å |
| 345 | G | 94.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P341 F347 C348 L349 | P341-G345 PolarHBondContact O-N 3.35Å; G345-F347 VanDerWaalsContact C-N 3.31Å; G345-F347 PolarHBondContact O-N 3.36Å; G345-C348 PolarHBondContact O-N 3.49Å; G345-L349 PolarHBondContact O-N 2.87Å |
| 346 | S | 94.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | S309 I342 V343 F344 L349 F350 | S309-S346 WeakPolarHBondContact CB-OG 3.17Å; S309-S346 PolarHBondContact OG-OG 3.35Å; I342-S346 VanDerWaalsContact O-CB 3.29Å; I342-S346 WeakPolarHBondContact O-CB 3.48Å; I342-S346 PolarHBondContact O-N 3.41Å; I342-S346 PolarHBondContact O-OG 3.37Å; V343-S346 PolarHBondContact O-N 2.99Å; F344-S346 VanDerWaalsContact C-N 3.35Å; F344-S346 PolarHBondContact O-N 3.04Å; S346-L349 PolarHBondContact O-N 3.21Å; S346-F350 WeakPolarHBondContact O-CB 3.15Å; S346-F350 PolarHBondContact O-N 2.85Å |
| 347 | F | 94.9 | Very high | 91.7 | Very high | 114 Ų | 114 | 52.2 Ų | 52.2 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.7 | -177.5 | -110.4 | 0 | 0 | 0 | 112.2 | V343 F344 G345 F350 I351 | V343-F347 WeakPolarHBondContact O-CB 3.34Å; V343-F347 PolarHBondContact O-N 2.92Å; F344-F347 WeakPolarHBondContact O-CB 3.41Å; F344-F347 PolarHBondContact O-N 3.18Å; G345-F347 VanDerWaalsContact C-N 3.31Å; G345-F347 PolarHBondContact O-N 3.36Å; F347-F350 HydrophobicContact CD2-CD1 4.48Å; F347-F350 PolarHBondContact O-N 3.02Å; F347-I351 HydrophobicContact CD1-CD1 3.89Å; F347-I351 HydrophobicContact CE1-CD1 3.44Å; F347-I351 VanDerWaalsContact CE1-CD1 3.44Å; F347-I351 HydrophobicContact CE1-CG1 4.35Å; F347-I351 HydrophobicContact CE2-CD1 4.43Å; F347-I351 HydrophobicContact CZ-CD1 3.75Å; F347-I351 HydrophobicContact CZ-CG1 4.28Å; F347-I351 WeakPolarHBondContact O-CG1 3.39Å; F347-I351 PolarHBondContact O-N 3.44Å |
| 348 | C | 95.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 172.5 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | F344 G345 I351 F352 F381 | F344-C348 PolarHBondContact O-N 2.95Å; F344-C348 PolarHBondContact O-SG 3.11Å; F344-C348 VanDerWaalsContact O-SG 3.37Å; G345-C348 PolarHBondContact O-N 3.49Å; C348-I351 PolarHBondContact O-N 3.36Å; C348-F352 PolarHBondContact O-N 2.85Å; C348-F381 HydrophobicContact CB-CD1 4.25Å |
| 349 | L | 94.4 | Very high | 92.8 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.7 | -68.3 | 175.9 | 0 | 0 | 0 | 112 | G345 S346 I351 F352 D353 A385 | G345-L349 PolarHBondContact O-N 2.87Å; S346-L349 PolarHBondContact O-N 3.21Å; L349-I351 PolarHBondContact O-N 3.08Å; L349-F352 WeakPolarHBondContact O-CB 3.24Å; L349-F352 PolarHBondContact O-N 3.39Å; L349-D353 PolarHBondContact O-N 3.47Å; L349-A385 HydrophobicContact CD1-CB 4.24Å; L349-A385 HydrophobicContact CD2-CB 3.73Å; L349-A385 HydrophobicContact CG-CB 3.71Å |
| 350 | F | 95.4 | Very high | 93.1 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 174.4 | 173.2 | -103.6 | 0 | 0 | 0 | 112.3 | I302 S346 F347 F352 D353 M354 | I302-F350 HydrophobicContact CD1-CE2 3.85Å; I302-F350 HydrophobicContact CG1-CD2 4.11Å; I302-F350 HydrophobicContact CG1-CE2 3.9Å; S346-F350 WeakPolarHBondContact O-CB 3.15Å; S346-F350 PolarHBondContact O-N 2.85Å; F347-F350 HydrophobicContact CD2-CD1 4.48Å; F347-F350 PolarHBondContact O-N 3.02Å; F350-F352 VanDerWaalsContact C-N 3.32Å; F350-D353 PolarHBondContact O-N 3.21Å; F350-M354 HydrophobicContact CD1-CG 4.36Å; F350-M354 HydrophobicContact CD2-CG 4.23Å; F350-M354 HydrophobicContact CE1-CG 3.91Å; F350-M354 HydrophobicContact CE2-CG 3.76Å; F350-M354 HydrophobicContact CE2-SD 4.01Å; F350-M354 HydrophobicContact CZ-CG 3.59Å; F350-M354 HydrophobicContact CZ-SD 3.94Å; F350-M354 WeakPolarHBondContact O-CB 3.19Å; F350-M354 VanDerWaalsContact O-CG 3.22Å; F350-M354 WeakPolarHBondContact O-CG 3.24Å; F350-M354 PolarHBondContact O-N 2.84Å |
| 351 | I | 94.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.7 | -68.9 | 167.7 | 0 | 0 | 0 | 110.3 | F347 C348 L349 M354 C355 F381 | F347-I351 HydrophobicContact CD1-CD1 3.89Å; F347-I351 HydrophobicContact CE1-CD1 3.44Å; F347-I351 VanDerWaalsContact CE1-CD1 3.44Å; F347-I351 HydrophobicContact CE1-CG1 4.35Å; F347-I351 HydrophobicContact CE2-CD1 4.43Å; F347-I351 HydrophobicContact CZ-CD1 3.75Å; F347-I351 HydrophobicContact CZ-CG1 4.28Å; F347-I351 WeakPolarHBondContact O-CG1 3.39Å; F347-I351 PolarHBondContact O-N 3.44Å; C348-I351 PolarHBondContact O-N 3.36Å; L349-I351 PolarHBondContact O-N 3.08Å; I351-M354 PolarHBondContact O-N 3.46Å; I351-C355 WeakPolarHBondContact O-CB 3.45Å; I351-C355 PolarHBondContact O-N 3.36Å; I351-C355 PolarHBondContact O-SG 2.72Å; I351-F381 HydrophobicContact CB-CE1 4.41Å; I351-F381 HydrophobicContact CD1-CE1 4.43Å; I351-F381 HydrophobicContact CG2-CE1 3.96Å; I351-F381 HydrophobicContact CG2-CE2 3.92Å; I351-F381 HydrophobicContact CG2-CZ 3.59Å |
| 352 | F | 94.6 | Very high | 93.1 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.4 | -51 | 176.7 | 170.2 | -100.2 | 0 | 0 | 0 | 111.8 | C348 L349 F350 M354 C355 E356 I368 W369 A378 F381 I382 | C348-F352 PolarHBondContact O-N 2.85Å; L349-F352 WeakPolarHBondContact O-CB 3.24Å; L349-F352 PolarHBondContact O-N 3.39Å; F350-F352 VanDerWaalsContact C-N 3.32Å; F352-M354 VanDerWaalsContact C-N 3.3Å; F352-M354 PolarHBondContact O-N 2.98Å; F352-C355 PolarHBondContact O-N 3.45Å; F352-C355 VanDerWaalsContact O-N 3.08Å; F352-E356 WeakPolarHBondContact CE1-OE2 3.34Å; F352-E356 WeakPolarHBondContact CZ-OE2 3.28Å; F352-E356 PolarHBondContact O-N 2.94Å; F352-I368 HydrophobicContact CE2-CG2 4.31Å; F352-W369 AromaticContact CE2-CZ2 3.97Å; F352-W369 HydrophobicContact CE2-CZ2 3.97Å; F352-W369 AromaticContact CZ-CZ2 3.93Å; F352-W369 HydrophobicContact CZ-CZ2 3.93Å; F352-A378 HydrophobicContact CD2-CB 4.07Å; F352-A378 HydrophobicContact CE2-CB 3.78Å; F352-F381 HydrophobicContact CB-CB 4.22Å; F352-I382 HydrophobicContact CE2-CD1 4.13Å; F352-I382 HydrophobicContact CZ-CD1 4.21Å |
| 353 | D | 93.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 55 Ų | 55 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 178.2 | -67.7 | -19.5 | 0 | 0 | 0 | 111.8 | L298 L349 F350 R357 G358 | L298-D353 HydrophobicContact CD1-CB 4.37Å; L349-D353 PolarHBondContact O-N 3.47Å; F350-D353 PolarHBondContact O-N 3.21Å; D353-R357 WeakPolarHBondContact O-CA 3.46Å; D353-R357 WeakPolarHBondContact O-CB 3.39Å; D353-R357 PolarHBondContact O-N 2.79Å; D353-G358 PolarHBondContact O-N 2.92Å |
| 354 | M | 93.4 | Very high | 93.1 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 175.7 | -73 | -63.5 | -57.7 | 0 | 0 | 112.7 | L298 F350 I351 F352 G358 | L298-M354 HydrophobicContact CD1-SD 4.12Å; L298-M354 HydrophobicContact CD2-SD 3.9Å; L298-M354 HydrophobicContact CG-SD 4.45Å; F350-M354 HydrophobicContact CD1-CG 4.36Å; F350-M354 HydrophobicContact CD2-CG 4.23Å; F350-M354 HydrophobicContact CE1-CG 3.91Å; F350-M354 HydrophobicContact CE2-CG 3.76Å; F350-M354 HydrophobicContact CE2-SD 4.01Å; F350-M354 HydrophobicContact CZ-CG 3.59Å; F350-M354 HydrophobicContact CZ-SD 3.94Å; F350-M354 WeakPolarHBondContact O-CB 3.19Å; F350-M354 VanDerWaalsContact O-CG 3.22Å; F350-M354 WeakPolarHBondContact O-CG 3.24Å; F350-M354 PolarHBondContact O-N 2.84Å; I351-M354 PolarHBondContact O-N 3.46Å; F352-M354 VanDerWaalsContact C-N 3.3Å; F352-M354 PolarHBondContact O-N 2.98Å; M354-G358 WeakPolarHBondContact O-CA 3.3Å; M354-G358 PolarHBondContact O-N 3.46Å |
| 355 | C | 92.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -75.7 | -36.5 | 177.1 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | I351 F352 V359 Y366 I368 | I351-C355 WeakPolarHBondContact O-CB 3.45Å; I351-C355 PolarHBondContact O-N 3.36Å; I351-C355 PolarHBondContact O-SG 2.72Å; F352-C355 PolarHBondContact O-N 3.45Å; F352-C355 VanDerWaalsContact O-N 3.08Å; C355-V359 WeakPolarHBondContact O-CG2 2.74Å; C355-Y366 VanDerWaalsContact O-CE1 3.29Å; C355-Y366 WeakPolarHBondContact O-CE1 3.31Å; C355-I368 HydrophobicContact CB-CD1 4.03Å |
| 356 | E | 90.4 | Very high | 93 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -83.1 | -71.6 | 177.9 | -174.3 | 172.6 | -140.2 | 0 | 0 | 110.8 | F352 V359 Q360 I368 W369 | F352-E356 WeakPolarHBondContact CE1-OE2 3.34Å; F352-E356 WeakPolarHBondContact CZ-OE2 3.28Å; F352-E356 PolarHBondContact O-N 2.94Å; E356-V359 PolarHBondContact O-N 2.76Å; E356-Q360 VanDerWaalsContact O-CG 3.32Å; E356-Q360 WeakPolarHBondContact O-CG 3.06Å; E356-Q360 PolarHBondContact O-N 3.29Å; E356-I368 HydrophobicContact CB-CG2 4.21Å; E356-I368 HydrophobicContact CG-CG2 4.14Å; E356-W369 PolarHBondContact OE1-NE1 2.96Å |
| 357 | R | 90.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.6 | -28.9 | -174.4 | -69.5 | -176.7 | 164.9 | -168.5 | -5.4 | 113.4 | E186 L298 D301 D353 Q360 | E186-R357 IonicContact OE1-CZ 2.64Å; E186-R357 IonicContact OE1-NE 3.31Å; E186-R357 IonicContact OE1-NH2 3.11Å; E186-R357 PolarHBondContact OE1-NH2 2.75Å; L298-R357 HydrophobicContact CD1-CB 4.17Å; D301-R357 IonicContact OD1-NH1 2.72Å; D301-R357 PolarHBondContact OD1-NH1 2.86Å; D301-R357 WeakPolarHBondContact OD2-CD 3.41Å; D301-R357 IonicContact OD2-CZ 3.83Å; D301-R357 IonicContact OD2-NE 3.18Å; D301-R357 IonicContact OD2-NH1 2.99Å; D301-R357 PolarHBondContact OD2-NH1 3.5Å; D353-R357 WeakPolarHBondContact O-CA 3.46Å; D353-R357 WeakPolarHBondContact O-CB 3.39Å; D353-R357 PolarHBondContact O-N 2.79Å; R357-Q360 PolarHBondContact O-N 3.44Å |
| 358 | G | 92.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D353 M354 L361 | D353-G358 PolarHBondContact O-N 2.92Å; M354-G358 WeakPolarHBondContact O-CA 3.3Å; M354-G358 PolarHBondContact O-N 3.46Å; G358-L361 WeakPolarHBondContact O-CB 3.3Å |
| 359 | V | 91.8 | Very high | 92.4 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -76 | -31.7 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | C355 E356 L361 T362 N363 Y366 | C355-V359 WeakPolarHBondContact O-CG2 2.74Å; E356-V359 PolarHBondContact O-N 2.76Å; V359-L361 PolarHBondContact O-N 3.35Å; V359-L361 VanDerWaalsContact O-N 3.1Å; V359-T362 PolarHBondContact O-N 3.42Å; V359-T362 VanDerWaalsContact O-N 3.07Å; V359-T362 PolarHBondContact O-OG1 3.4Å; V359-N363 PolarHBondContact O-N 3.46Å; V359-N363 VanDerWaalsContact O-N 3.11Å; V359-Y366 HydrophobicContact CB-CD1 3.63Å; V359-Y366 HydrophobicContact CB-CE1 3.79Å; V359-Y366 HydrophobicContact CB-CG 4.16Å; V359-Y366 HydrophobicContact CG1-CD1 3.55Å; V359-Y366 HydrophobicContact CG1-CD2 3.87Å; V359-Y366 HydrophobicContact CG1-CE1 3.88Å; V359-Y366 HydrophobicContact CG1-CE2 4.18Å; V359-Y366 HydrophobicContact CG1-CG 3.53Å; V359-Y366 HydrophobicContact CG2-CE1 4.33Å |
| 360 | Q | 91.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -20.7 | 174 | -76.6 | 171.6 | -14.1 | 0 | 0 | 114.2 | E186 E356 R357 T362 N363 P364 Y366 | E186-Q360 PolarHBondContact OE2-OE1 3.4Å; E356-Q360 VanDerWaalsContact O-CG 3.32Å; E356-Q360 WeakPolarHBondContact O-CG 3.06Å; E356-Q360 PolarHBondContact O-N 3.29Å; R357-Q360 PolarHBondContact O-N 3.44Å; Q360-T362 VanDerWaalsContact C-N 3.29Å; Q360-T362 PolarHBondContact O-N 2.94Å; Q360-N363 VanDerWaalsContact CA-O 3.29Å; Q360-N363 WeakPolarHBondContact CA-O 3.48Å; Q360-N363 CarbonylContact O-C 3.35Å; Q360-P364 WeakPolarHBondContact O-CA 3.3Å; Q360-Y366 HydrophobicContact CG-CD1 4.46Å; Q360-Y366 WeakPolarHBondContact CG-O 3.36Å; Q360-Y366 PolarHBondContact NE2-O 2.89Å; Q360-Y366 VanDerWaalsContact NE2-O 3.17Å |
| 361 | L | 90.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -30 | 175.3 | -62.6 | 175.3 | 0 | 0 | 0 | 113.4 | T294 W295 L298 G358 V359 | T294-L361 VanDerWaalsContact C-CD2 3.47Å; T294-L361 VanDerWaalsContact O-CD2 3.25Å; T294-L361 WeakPolarHBondContact O-CD2 3.39Å; W295-L361 HydrophobicContact CB-CD1 4.03Å; W295-L361 HydrophobicContact CB-CD2 4.07Å; L298-L361 HydrophobicContact CD2-CD1 4.1Å; G358-L361 WeakPolarHBondContact O-CB 3.3Å; V359-L361 PolarHBondContact O-N 3.35Å; V359-L361 VanDerWaalsContact O-N 3.1Å |
| 362 | T | 90.1 | Very high | 91.2 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -37.9 | 177.8 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | V359 Q360 | V359-T362 PolarHBondContact O-N 3.42Å; V359-T362 VanDerWaalsContact O-N 3.07Å; V359-T362 PolarHBondContact O-OG1 3.4Å; Q360-T362 VanDerWaalsContact C-N 3.29Å; Q360-T362 PolarHBondContact O-N 2.94Å |
| 363 | N | 91.7 | Very high | 91 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | trans | -125 | 102.6 | 174.2 | 179.9 | 5.2 | 0 | 0 | 0 | 110.3 | E156 V359 Q360 F365 Y366 | E156-N363 PolarHBondContact OE1-ND2 3.11Å; V359-N363 PolarHBondContact O-N 3.46Å; V359-N363 VanDerWaalsContact O-N 3.11Å; Q360-N363 VanDerWaalsContact CA-O 3.29Å; Q360-N363 WeakPolarHBondContact CA-O 3.48Å; Q360-N363 CarbonylContact O-C 3.35Å; N363-F365 PolarHBondContact O-N 2.96Å; N363-F365 WeakPolarHBondContact OD1-CB 3.31Å; N363-F365 WeakPolarHBondContact OD1-CD2 3.13Å; N363-F365 PolarHBondContact OD1-N 3.01Å; N363-Y366 VanDerWaalsContact O-CB 3.3Å; N363-Y366 WeakPolarHBondContact O-CB 3.33Å; N363-Y366 PolarHBondContact O-N 2.92Å | ||
| 364 | P | 93.3 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.1 | -177 | 29 | -35.9 | 0 | 0 | 0 | 113.4 | A152 M185 E186 V187 Q360 | A152-P364 HydrophobicContact CB-CG 3.69Å; M185-P364 WeakPolarHBondContact CA-O 3.29Å; M185-P364 HydrophobicContact CG-CB 4.15Å; E186-P364 PolarHBondContact N-O 3.38Å; V187-P364 HydrophobicContact CG2-CB 4.23Å; Q360-P364 WeakPolarHBondContact O-CA 3.3Å |
| 365 | F | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.8 | 176.4 | -48.7 | -81.6 | 0 | 0 | 0 | 113 | V136 L138 A152 S154 E156 R158 F184 M185 N363 S367 | V136-F365 HydrophobicContact CB-CE1 4.13Å; V136-F365 HydrophobicContact CB-CZ 4.21Å; V136-F365 HydrophobicContact CG1-CD1 3.75Å; V136-F365 HydrophobicContact CG1-CD2 3.94Å; V136-F365 HydrophobicContact CG1-CE1 3.63Å; V136-F365 HydrophobicContact CG1-CE2 3.86Å; V136-F365 HydrophobicContact CG1-CG 3.87Å; V136-F365 HydrophobicContact CG1-CZ 3.7Å; V136-F365 HydrophobicContact CG2-CD1 4.18Å; V136-F365 HydrophobicContact CG2-CE1 3.33Å; V136-F365 HydrophobicContact CG2-CE2 4.43Å; V136-F365 HydrophobicContact CG2-CZ 3.49Å; V136-F365 VanDerWaalsContact CG2-CZ 3.49Å; L138-F365 HydrophobicContact CB-CE2 4.41Å; L138-F365 HydrophobicContact CB-CZ 3.69Å; A152-F365 HydrophobicContact CB-CD2 4.47Å; A152-F365 HydrophobicContact CB-CE2 3.79Å; S154-F365 WeakPolarHBondContact OG-CD2 3.29Å; E156-F365 HydrophobicContact CG-CB 3.59Å; E156-F365 HydrophobicContact CG-CG 4.32Å; R158-F365 PolarHBondContact NH2-O 3Å; F184-F365 HydrophobicContact CE1-CD1 4.45Å; F184-F365 HydrophobicContact CE1-CE1 4.2Å; F184-F365 HydrophobicContact CZ-CD1 4.37Å; F184-F365 HydrophobicContact CZ-CE1 4.19Å; F184-F365 WeakPolarHBondContact O-CA 3.22Å; M185-F365 HydrophobicContact CB-CD1 4.08Å; M185-F365 HydrophobicContact CB-CE1 4.42Å; M185-F365 HydrophobicContact CE-CD1 4.19Å; M185-F365 HydrophobicContact CE-CE1 3.52Å; M185-F365 HydrophobicContact CE-CZ 4.29Å; M185-F365 HydrophobicContact CG-CD1 4.21Å; M185-F365 HydrophobicContact CG-CE1 4.31Å; N363-F365 PolarHBondContact O-N 2.96Å; N363-F365 WeakPolarHBondContact OD1-CB 3.31Å; N363-F365 WeakPolarHBondContact OD1-CD2 3.13Å; N363-F365 PolarHBondContact OD1-N 3.01Å; F365-S367 PolarHBondContact O-N 3.22Å |
| 366 | Y | 92.5 | Very high | 90.7 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | trans | -66.5 | 137.9 | 179.5 | 177.9 | -98.2 | 0 | 0 | 0 | 111.7 | C355 V359 Q360 N363 I368 | C355-Y366 VanDerWaalsContact O-CE1 3.29Å; C355-Y366 WeakPolarHBondContact O-CE1 3.31Å; V359-Y366 HydrophobicContact CB-CD1 3.63Å; V359-Y366 HydrophobicContact CB-CE1 3.79Å; V359-Y366 HydrophobicContact CB-CG 4.16Å; V359-Y366 HydrophobicContact CG1-CD1 3.55Å; V359-Y366 HydrophobicContact CG1-CD2 3.87Å; V359-Y366 HydrophobicContact CG1-CE1 3.88Å; V359-Y366 HydrophobicContact CG1-CE2 4.18Å; V359-Y366 HydrophobicContact CG1-CG 3.53Å; V359-Y366 HydrophobicContact CG2-CE1 4.33Å; Q360-Y366 HydrophobicContact CG-CD1 4.46Å; Q360-Y366 WeakPolarHBondContact CG-O 3.36Å; Q360-Y366 PolarHBondContact NE2-O 2.89Å; Q360-Y366 VanDerWaalsContact NE2-O 3.17Å; N363-Y366 VanDerWaalsContact O-CB 3.3Å; N363-Y366 WeakPolarHBondContact O-CB 3.33Å; N363-Y366 PolarHBondContact O-N 2.92Å; Y366-I368 HydrophobicContact CE1-CB 4.25Å | ||
| 367 | S | 91.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | trans | -139.7 | 126.7 | 169.1 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | F365 W369 A370 | F365-S367 PolarHBondContact O-N 3.22Å; S367-W369 PolarHBondContact O-N 3Å; S367-W369 PolarHBondContact OG-N 3.43Å; S367-A370 WeakPolarHBondContact O-CB 3.31Å; S367-A370 PolarHBondContact O-N 3.43Å; S367-A370 VanDerWaalsContact O-N 3.15Å | ||
| 368 | I | 91.2 | Very high | 90.8 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -62.9 | -27.7 | 177.2 | -167.8 | 162.4 | 0 | 0 | 0 | 111.9 | F352 C355 E356 Y366 A370 G374 T375 A378 | F352-I368 HydrophobicContact CE2-CG2 4.31Å; C355-I368 HydrophobicContact CB-CD1 4.03Å; E356-I368 HydrophobicContact CB-CG2 4.21Å; E356-I368 HydrophobicContact CG-CG2 4.14Å; Y366-I368 HydrophobicContact CE1-CB 4.25Å; I368-A370 PolarHBondContact O-N 2.98Å; I368-G374 WeakPolarHBondContact CG1-O 3.41Å; I368-G374 CarbonylContact O-C 3.57Å; I368-G374 WeakPolarHBondContact O-CA 3.17Å; I368-T375 PolarHBondContact O-N 3.41Å; I368-A378 HydrophobicContact CD1-CB 3.9Å; I368-A378 HydrophobicContact CG1-CB 4.1Å; I368-A378 HydrophobicContact CG2-CB 4.23Å |
| 369 | W | 89.3 | Confident | 90.9 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -75.3 | -8.6 | 179.2 | -51.9 | 101.6 | 0 | 0 | 0 | 113.9 | F352 E356 S367 T375 A378 M379 I382 | F352-W369 AromaticContact CE2-CZ2 3.97Å; F352-W369 HydrophobicContact CE2-CZ2 3.97Å; F352-W369 AromaticContact CZ-CZ2 3.93Å; F352-W369 HydrophobicContact CZ-CZ2 3.93Å; E356-W369 PolarHBondContact OE1-NE1 2.96Å; S367-W369 PolarHBondContact O-N 3Å; S367-W369 PolarHBondContact OG-N 3.43Å; W369-T375 WeakPolarHBondContact CA-OG1 3.14Å; W369-T375 HydrophobicContact CE3-CG2 3.95Å; W369-T375 HydrophobicContact CZ3-CG2 4.18Å; W369-T375 PolarHBondContact O-OG1 3.31Å; W369-A378 HydrophobicContact CH2-CB 3.99Å; W369-A378 HydrophobicContact CZ2-CB 4.3Å; W369-A378 HydrophobicContact CZ3-CB 4.14Å; W369-M379 HydrophobicContact CH2-SD 4Å; W369-M379 HydrophobicContact CZ3-CG 3.97Å; W369-M379 HydrophobicContact CZ3-SD 3.81Å; W369-I382 HydrophobicContact CH2-CD1 3.72Å; W369-I382 HydrophobicContact CZ2-CD1 4.09Å |
| 370 | A | 86.7 | Confident | 91 | Very high | 20 Ų | 20 | 56 Ų | 56 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -80.3 | -22.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S367 I368 | S367-A370 WeakPolarHBondContact O-CB 3.31Å; S367-A370 PolarHBondContact O-N 3.43Å; S367-A370 VanDerWaalsContact O-N 3.15Å; I368-A370 PolarHBondContact O-N 2.98Å |
| 371 | S | 86.4 | Confident | 91.1 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -108.3 | 141.4 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | V373 G374 T375 | S371-V373 PolarHBondContact O-N 3.39Å; S371-G374 PolarHBondContact O-N 2.86Å; S371-T375 WeakPolarHBondContact O-CB 3.19Å; S371-T375 PolarHBondContact O-N 3.4Å; S371-T375 PolarHBondContact O-OG1 3.47Å |
| 372 | D | 86.2 | Confident | 91.2 | Very high | 111 Ų | 111 | 57.5 Ų | 57.5 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.7 | -45.6 | 177.5 | -57.8 | -32.9 | 0 | 0 | 0 | 111.2 | G374 T375 E376 | D372-G374 VanDerWaalsContact C-N 3.35Å; D372-G374 PolarHBondContact O-N 2.96Å; D372-T375 PolarHBondContact O-N 2.8Å; D372-E376 WeakPolarHBondContact O-CG 3.37Å; D372-E376 PolarHBondContact O-N 3.06Å |
| 373 | V | 89.2 | Confident | 91.5 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 58% | 0.576 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | S371 L377 | S371-V373 PolarHBondContact O-N 3.39Å; V373-L377 HydrophobicContact CG1-CD1 4.18Å; V373-L377 WeakPolarHBondContact O-CB 3.42Å; V373-L377 VanDerWaalsContact O-CG 3.31Å; V373-L377 WeakPolarHBondContact O-CG 3.25Å; V373-L377 PolarHBondContact O-N 2.99Å; V373-L377 VanDerWaalsContact O-N 3.08Å |
| 374 | G | 89.6 | Confident | 91.7 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I368 S371 D372 L377 A378 | I368-G374 WeakPolarHBondContact CG1-O 3.41Å; I368-G374 CarbonylContact O-C 3.57Å; I368-G374 WeakPolarHBondContact O-CA 3.17Å; S371-G374 PolarHBondContact O-N 2.86Å; D372-G374 VanDerWaalsContact C-N 3.35Å; D372-G374 PolarHBondContact O-N 2.96Å; G374-L377 PolarHBondContact O-N 3.39Å; G374-A378 VanDerWaalsContact O-CB 3.3Å; G374-A378 WeakPolarHBondContact O-CB 3.47Å; G374-A378 PolarHBondContact O-N 3.46Å |
| 375 | T | 90.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | I368 W369 S371 D372 L377 A378 M379 | I368-T375 PolarHBondContact O-N 3.41Å; W369-T375 WeakPolarHBondContact CA-OG1 3.14Å; W369-T375 HydrophobicContact CE3-CG2 3.95Å; W369-T375 HydrophobicContact CZ3-CG2 4.18Å; W369-T375 PolarHBondContact O-OG1 3.31Å; S371-T375 WeakPolarHBondContact O-CB 3.19Å; S371-T375 PolarHBondContact O-N 3.4Å; S371-T375 PolarHBondContact O-OG1 3.47Å; D372-T375 PolarHBondContact O-N 2.8Å; T375-L377 VanDerWaalsContact C-N 3.34Å; T375-L377 PolarHBondContact O-N 3.37Å; T375-A378 PolarHBondContact O-N 2.95Å; T375-M379 HydrophobicContact CG2-CG 4.28Å; T375-M379 VanDerWaalsContact O-CB 3.3Å; T375-M379 WeakPolarHBondContact O-CB 3.16Å; T375-M379 WeakPolarHBondContact O-CG 3.24Å; T375-M379 PolarHBondContact O-N 3.34Å |
| 376 | E | 93.4 | Very high | 91.7 | Very high | 138 Ų | 138 | 58.2 Ų | 58.2 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 176.3 | -74.9 | -175.4 | 172.7 | 0 | 0 | 112.2 | D372 S380 | D372-E376 WeakPolarHBondContact O-CG 3.37Å; D372-E376 PolarHBondContact O-N 3.06Å; E376-S380 WeakPolarHBondContact O-CB 3.22Å; E376-S380 PolarHBondContact O-N 3.46Å; E376-S380 PolarHBondContact O-OG 3.24Å |
| 377 | L | 92.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 59.4 Ų | 59.4 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -47 | 176.6 | -71.8 | 174.3 | 0 | 0 | 0 | 112 | V373 G374 T375 M379 S380 F381 | V373-L377 HydrophobicContact CG1-CD1 4.18Å; V373-L377 WeakPolarHBondContact O-CB 3.42Å; V373-L377 VanDerWaalsContact O-CG 3.31Å; V373-L377 WeakPolarHBondContact O-CG 3.25Å; V373-L377 PolarHBondContact O-N 2.99Å; V373-L377 VanDerWaalsContact O-N 3.08Å; G374-L377 PolarHBondContact O-N 3.39Å; T375-L377 VanDerWaalsContact C-N 3.34Å; T375-L377 PolarHBondContact O-N 3.37Å; L377-M379 PolarHBondContact O-N 2.98Å; L377-S380 WeakPolarHBondContact O-CB 3.47Å; L377-S380 PolarHBondContact O-N 2.91Å; L377-F381 WeakPolarHBondContact O-CD2 3.36Å; L377-F381 PolarHBondContact O-N 3.46Å |
| 378 | A | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F352 I368 W369 G374 T375 S380 F381 I382 | F352-A378 HydrophobicContact CD2-CB 4.07Å; F352-A378 HydrophobicContact CE2-CB 3.78Å; I368-A378 HydrophobicContact CD1-CB 3.9Å; I368-A378 HydrophobicContact CG1-CB 4.1Å; I368-A378 HydrophobicContact CG2-CB 4.23Å; W369-A378 HydrophobicContact CH2-CB 3.99Å; W369-A378 HydrophobicContact CZ2-CB 4.3Å; W369-A378 HydrophobicContact CZ3-CB 4.14Å; G374-A378 VanDerWaalsContact O-CB 3.3Å; G374-A378 WeakPolarHBondContact O-CB 3.47Å; G374-A378 PolarHBondContact O-N 3.46Å; T375-A378 PolarHBondContact O-N 2.95Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 2.93Å; A378-F381 PolarHBondContact O-N 3.31Å; A378-I382 WeakPolarHBondContact O-CG1 3.49Å; A378-I382 PolarHBondContact O-N 3.02Å |
| 379 | M | 93.6 | Very high | 92 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 177.1 | -71.7 | -62.5 | -73.1 | 0 | 0 | 111.5 | W369 T375 L377 F381 I382 I383 | W369-M379 HydrophobicContact CH2-SD 4Å; W369-M379 HydrophobicContact CZ3-CG 3.97Å; W369-M379 HydrophobicContact CZ3-SD 3.81Å; T375-M379 HydrophobicContact CG2-CG 4.28Å; T375-M379 VanDerWaalsContact O-CB 3.3Å; T375-M379 WeakPolarHBondContact O-CB 3.16Å; T375-M379 WeakPolarHBondContact O-CG 3.24Å; T375-M379 PolarHBondContact O-N 3.34Å; L377-M379 PolarHBondContact O-N 2.98Å; M379-F381 PolarHBondContact O-N 3.21Å; M379-I382 PolarHBondContact O-N 3.22Å; M379-I383 VanDerWaalsContact O-CB 3.31Å; M379-I383 WeakPolarHBondContact O-CB 3.26Å; M379-I383 WeakPolarHBondContact O-CD1 3.21Å; M379-I383 WeakPolarHBondContact O-CG1 3.41Å; M379-I383 PolarHBondContact O-N 2.65Å |
| 380 | S | 94.3 | Very high | 92.1 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | E376 L377 A378 I383 V384 | E376-S380 WeakPolarHBondContact O-CB 3.22Å; E376-S380 PolarHBondContact O-N 3.46Å; E376-S380 PolarHBondContact O-OG 3.24Å; L377-S380 WeakPolarHBondContact O-CB 3.47Å; L377-S380 PolarHBondContact O-N 2.91Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 2.93Å; S380-I383 PolarHBondContact O-N 2.93Å; S380-V384 WeakPolarHBondContact O-CB 3.21Å; S380-V384 VanDerWaalsContact O-CG2 3.22Å; S380-V384 WeakPolarHBondContact O-CG2 3.35Å; S380-V384 PolarHBondContact O-N 3.42Å |
| 381 | F | 94.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 25% | 0.25 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.7 | -71.5 | -59.9 | 0 | 0 | 0 | 112.4 | C348 I351 F352 L377 A378 M379 V384 A385 | C348-F381 HydrophobicContact CB-CD1 4.25Å; I351-F381 HydrophobicContact CB-CE1 4.41Å; I351-F381 HydrophobicContact CD1-CE1 4.43Å; I351-F381 HydrophobicContact CG2-CE1 3.96Å; I351-F381 HydrophobicContact CG2-CE2 3.92Å; I351-F381 HydrophobicContact CG2-CZ 3.59Å; F352-F381 HydrophobicContact CB-CB 4.22Å; L377-F381 WeakPolarHBondContact O-CD2 3.36Å; L377-F381 PolarHBondContact O-N 3.46Å; A378-F381 PolarHBondContact O-N 3.31Å; M379-F381 PolarHBondContact O-N 3.21Å; F381-V384 PolarHBondContact O-N 3.47Å; F381-A385 WeakPolarHBondContact O-CB 3.49Å; F381-A385 PolarHBondContact O-N 3.44Å |
| 382 | I | 93.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 178.7 | -65.2 | 165.5 | 0 | 0 | 0 | 110.9 | F352 W369 A378 M379 A385 G386 | F352-I382 HydrophobicContact CE2-CD1 4.13Å; F352-I382 HydrophobicContact CZ-CD1 4.21Å; W369-I382 HydrophobicContact CH2-CD1 3.72Å; W369-I382 HydrophobicContact CZ2-CD1 4.09Å; A378-I382 WeakPolarHBondContact O-CG1 3.49Å; A378-I382 PolarHBondContact O-N 3.02Å; M379-I382 PolarHBondContact O-N 3.22Å; I382-A385 PolarHBondContact O-N 3.33Å; I382-G386 PolarHBondContact O-N 3.32Å |
| 383 | I | 95.2 | Very high | 92.8 | Very high | 95 Ų | 95 | 61 Ų | 61 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.8 | -71.1 | 165.3 | 0 | 0 | 0 | 110.5 | M379 S380 A385 G386 I387 | M379-I383 VanDerWaalsContact O-CB 3.31Å; M379-I383 WeakPolarHBondContact O-CB 3.26Å; M379-I383 WeakPolarHBondContact O-CD1 3.21Å; M379-I383 WeakPolarHBondContact O-CG1 3.41Å; M379-I383 PolarHBondContact O-N 2.65Å; S380-I383 PolarHBondContact O-N 2.93Å; I383-A385 PolarHBondContact O-N 2.92Å; I383-G386 PolarHBondContact O-N 2.94Å; I383-I387 HydrophobicContact CG2-CD1 3.94Å; I383-I387 HydrophobicContact CG2-CG1 4.5Å; I383-I387 WeakPolarHBondContact O-CG1 3.22Å; I383-I387 PolarHBondContact O-N 3.46Å |
| 384 | V | 95.7 | Very high | 92.8 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.7 | 170 | 0 | 0 | 0 | 0 | 111.2 | F344 S380 F381 G386 I387 C388 | F344-V384 HydrophobicContact CD1-CG1 4.24Å; F344-V384 HydrophobicContact CE1-CG1 3.5Å; F344-V384 VanDerWaalsContact CE1-CG1 3.5Å; F344-V384 HydrophobicContact CZ-CG1 4.27Å; S380-V384 WeakPolarHBondContact O-CB 3.21Å; S380-V384 VanDerWaalsContact O-CG2 3.22Å; S380-V384 WeakPolarHBondContact O-CG2 3.35Å; S380-V384 PolarHBondContact O-N 3.42Å; F381-V384 PolarHBondContact O-N 3.47Å; V384-G386 VanDerWaalsContact C-N 3.33Å; V384-G386 PolarHBondContact O-N 3.46Å; V384-I387 PolarHBondContact O-N 2.88Å; V384-C388 PolarHBondContact O-N 2.85Å; V384-C388 PolarHBondContact O-SG 2.88Å |
| 385 | A | 94 | Very high | 92.7 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L349 F381 I382 I383 C388 A389 | L349-A385 HydrophobicContact CD1-CB 4.24Å; L349-A385 HydrophobicContact CD2-CB 3.73Å; L349-A385 HydrophobicContact CG-CB 3.71Å; F381-A385 WeakPolarHBondContact O-CB 3.49Å; F381-A385 PolarHBondContact O-N 3.44Å; I382-A385 PolarHBondContact O-N 3.33Å; I383-A385 PolarHBondContact O-N 2.92Å; A385-C388 WeakPolarHBondContact O-CB 3.43Å; A385-C388 PolarHBondContact O-N 3.45Å; A385-A389 PolarHBondContact O-N 3.06Å |
| 386 | G | 94.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 64.5 Ų | 64.5 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I382 I383 V384 C388 A389 C390 | I382-G386 PolarHBondContact O-N 3.32Å; I383-G386 PolarHBondContact O-N 2.94Å; V384-G386 VanDerWaalsContact C-N 3.33Å; V384-G386 PolarHBondContact O-N 3.46Å; G386-C388 VanDerWaalsContact C-N 3.32Å; G386-C388 PolarHBondContact O-N 3.38Å; G386-A389 PolarHBondContact O-N 2.81Å; G386-C390 PolarHBondContact O-N 3.28Å; G386-C390 PolarHBondContact O-SG 3.03Å; G386-C390 VanDerWaalsContact O-SG 3.38Å |
| 387 | I | 95.3 | Very high | 92.1 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 174.9 | -67.5 | 166.8 | 0 | 0 | 0 | 110.4 | I383 V384 A389 C390 L391 | I383-I387 HydrophobicContact CG2-CD1 3.94Å; I383-I387 HydrophobicContact CG2-CG1 4.5Å; I383-I387 WeakPolarHBondContact O-CG1 3.22Å; I383-I387 PolarHBondContact O-N 3.46Å; V384-I387 PolarHBondContact O-N 2.88Å; I387-A389 VanDerWaalsContact C-N 3.35Å; I387-A389 PolarHBondContact O-N 2.89Å; I387-C390 PolarHBondContact O-N 2.96Å; I387-L391 HydrophobicContact CG2-CD1 4.11Å; I387-L391 HydrophobicContact CG2-CG 4.43Å; I387-L391 WeakPolarHBondContact O-CG 3.31Å; I387-L391 PolarHBondContact O-N 3.48Å |
| 388 | C | 94.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.7 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | P341 V384 A385 G386 L391 Y392 | P341-C388 HydrophobicContact CB-CB 4.32Å; P341-C388 WeakPolarHBondContact O-CB 3.21Å; V384-C388 PolarHBondContact O-N 2.85Å; V384-C388 PolarHBondContact O-SG 2.88Å; A385-C388 WeakPolarHBondContact O-CB 3.43Å; A385-C388 PolarHBondContact O-N 3.45Å; G386-C388 VanDerWaalsContact C-N 3.32Å; G386-C388 PolarHBondContact O-N 3.38Å; C388-L391 PolarHBondContact O-N 3.35Å; C388-Y392 WeakPolarHBondContact O-CB 3.29Å; C388-Y392 PolarHBondContact O-N 3.46Å |
| 389 | A | 91.3 | Very high | 91.2 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 37% | 0.372 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A385 G386 I387 Y392 F393 | A385-A389 PolarHBondContact O-N 3.06Å; G386-A389 PolarHBondContact O-N 2.81Å; I387-A389 VanDerWaalsContact C-N 3.35Å; I387-A389 PolarHBondContact O-N 2.89Å; A389-Y392 WeakPolarHBondContact O-CB 3.4Å; A389-Y392 PolarHBondContact O-N 2.91Å; A389-F393 WeakPolarHBondContact O-CD2 3.41Å; A389-F393 PolarHBondContact O-N 3.43Å |
| 390 | C | 92.8 | Very high | 90.7 | Very high | 82 Ų | 82 | 61 Ų | 61 | 55% | 0.554 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 175 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | G386 I387 Y392 F393 L394 | G386-C390 PolarHBondContact O-N 3.28Å; G386-C390 PolarHBondContact O-SG 3.03Å; G386-C390 VanDerWaalsContact O-SG 3.38Å; I387-C390 PolarHBondContact O-N 2.96Å; C390-Y392 VanDerWaalsContact C-N 3.32Å; C390-Y392 PolarHBondContact O-N 3.2Å; C390-F393 PolarHBondContact O-N 2.91Å; C390-L394 WeakPolarHBondContact O-CG 3.07Å; C390-L394 PolarHBondContact O-N 2.93Å |
| 391 | L | 92.4 | Very high | 90.1 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.3 | -72.6 | 173.4 | 0 | 0 | 0 | 111.7 | I387 C388 L394 F395 | I387-L391 HydrophobicContact CG2-CD1 4.11Å; I387-L391 HydrophobicContact CG2-CG 4.43Å; I387-L391 WeakPolarHBondContact O-CG 3.31Å; I387-L391 PolarHBondContact O-N 3.48Å; C388-L391 PolarHBondContact O-N 3.35Å; L391-L394 PolarHBondContact O-N 3.44Å; L391-F395 WeakPolarHBondContact O-CD2 3.37Å; L391-F395 WeakPolarHBondContact O-CG 3.15Å; L391-F395 PolarHBondContact O-N 3.5Å |
| 392 | Y | 91.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 174.2 | 167.1 | -94.6 | 0 | 0 | 0 | 111.9 | L312 I316 I342 C388 A389 C390 L394 F395 L396 | L312-Y392 WeakPolarHBondContact CA-OH 3.14Å; L312-Y392 HydrophobicContact CB-CE1 4.34Å; L312-Y392 HydrophobicContact CB-CE2 4.04Å; L312-Y392 HydrophobicContact CD2-CE1 3.7Å; L312-Y392 HydrophobicContact CG-CE1 4.4Å; L312-Y392 WeakPolarHBondContact O-CE2 3.41Å; L312-Y392 PolarHBondContact O-OH 3.27Å; I316-Y392 HydrophobicContact CB-CE2 4.03Å; I316-Y392 HydrophobicContact CD1-CD2 4.06Å; I316-Y392 HydrophobicContact CD1-CE2 3.99Å; I316-Y392 HydrophobicContact CG2-CE2 4.37Å; I342-Y392 HydrophobicContact CD1-CD2 3.46Å; I342-Y392 VanDerWaalsContact CD1-CD2 3.46Å; I342-Y392 HydrophobicContact CD1-CE2 3.41Å; I342-Y392 VanDerWaalsContact CD1-CE2 3.41Å; I342-Y392 HydrophobicContact CG1-CD2 3.46Å; I342-Y392 VanDerWaalsContact CG1-CD2 3.46Å; I342-Y392 HydrophobicContact CG1-CE2 3.93Å; I342-Y392 HydrophobicContact CG1-CG 4.2Å; C388-Y392 WeakPolarHBondContact O-CB 3.29Å; C388-Y392 PolarHBondContact O-N 3.46Å; A389-Y392 WeakPolarHBondContact O-CB 3.4Å; A389-Y392 PolarHBondContact O-N 2.91Å; C390-Y392 VanDerWaalsContact C-N 3.32Å; C390-Y392 PolarHBondContact O-N 3.2Å; Y392-L394 VanDerWaalsContact C-N 3.33Å; Y392-L394 PolarHBondContact O-N 2.91Å; Y392-F395 PolarHBondContact O-N 3.26Å; Y392-L396 HydrophobicContact CE1-CD2 4.1Å; Y392-L396 WeakPolarHBondContact O-CB 3.36Å; Y392-L396 PolarHBondContact O-N 3.47Å |
| 393 | F | 88.8 | Confident | 88.5 | Confident | 119 Ų | 119 | 60.6 Ų | 60.6 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.9 | -85 | -67.5 | 0 | 0 | 0 | 112 | A389 C390 F395 L396 C397 | A389-F393 WeakPolarHBondContact O-CD2 3.41Å; A389-F393 PolarHBondContact O-N 3.43Å; C390-F393 PolarHBondContact O-N 2.91Å; F393-F395 PolarHBondContact O-N 3.28Å; F393-L396 PolarHBondContact O-N 3.25Å; F393-C397 WeakPolarHBondContact O-CB 3.41Å; F393-C397 PolarHBondContact O-N 3.38Å; F393-C397 PolarHBondContact O-SG 2.88Å |
| 394 | L | 89.2 | Confident | 87.5 | Confident | 121 Ų | 121 | 61 Ų | 61 | 63% | 0.634 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | 174.4 | -71.9 | 173.4 | 0 | 0 | 0 | 111.6 | C390 L391 Y392 C397 F398 | C390-L394 WeakPolarHBondContact O-CG 3.07Å; C390-L394 PolarHBondContact O-N 2.93Å; L391-L394 PolarHBondContact O-N 3.44Å; Y392-L394 VanDerWaalsContact C-N 3.33Å; Y392-L394 PolarHBondContact O-N 2.91Å; L394-C397 PolarHBondContact O-N 3.34Å; L394-F398 VanDerWaalsContact O-CB 3.3Å; L394-F398 WeakPolarHBondContact O-CB 3.3Å; L394-F398 PolarHBondContact O-N 3.2Å |
| 395 | F | 87.6 | Confident | 86.6 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.9 | -72 | -45.4 | 0 | 0 | 0 | 112.5 | I316 P341 L391 Y392 F393 F398 M399 | I316-F395 HydrophobicContact CD1-CB 4.06Å; P341-F395 HydrophobicContact CG-CE2 4.3Å; L391-F395 WeakPolarHBondContact O-CD2 3.37Å; L391-F395 WeakPolarHBondContact O-CG 3.15Å; L391-F395 PolarHBondContact O-N 3.5Å; Y392-F395 PolarHBondContact O-N 3.26Å; F393-F395 PolarHBondContact O-N 3.28Å; F395-F398 PolarHBondContact O-N 2.97Å; F395-M399 WeakPolarHBondContact O-CB 3.42Å; F395-M399 VanDerWaalsContact O-CG 3.23Å; F395-M399 WeakPolarHBondContact O-CG 3.14Å; F395-M399 PolarHBondContact O-N 3.3Å |
| 396 | L | 86.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 178.1 | -173.1 | 67.7 | 0 | 0 | 0 | 110.9 | W315 Y392 F393 F398 M399 V400 | W315-L396 HydrophobicContact CB-CD1 4.43Å; Y392-L396 HydrophobicContact CE1-CD2 4.1Å; Y392-L396 WeakPolarHBondContact O-CB 3.36Å; Y392-L396 PolarHBondContact O-N 3.47Å; F393-L396 PolarHBondContact O-N 3.25Å; L396-F398 VanDerWaalsContact C-N 3.33Å; L396-F398 PolarHBondContact O-N 2.9Å; L396-M399 PolarHBondContact O-N 3.45Å; L396-V400 HydrophobicContact CG-CG2 4.5Å; L396-V400 WeakPolarHBondContact O-CB 3.4Å; L396-V400 VanDerWaalsContact O-CG2 3.23Å; L396-V400 WeakPolarHBondContact O-CG2 3.18Å; L396-V400 PolarHBondContact O-N 3Å |
| 397 | C | 86.5 | Confident | 84.4 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.7 | -43.7 | 176 | -74.2 | 0 | 0 | 0 | 0 | 112 | F393 L394 V400 F401 | F393-C397 WeakPolarHBondContact O-CB 3.41Å; F393-C397 PolarHBondContact O-N 3.38Å; F393-C397 PolarHBondContact O-SG 2.88Å; L394-C397 PolarHBondContact O-N 3.34Å; C397-V400 PolarHBondContact O-N 3.49Å; C397-F401 VanDerWaalsContact O-CB 3.31Å; C397-F401 WeakPolarHBondContact O-CB 3.36Å; C397-F401 PolarHBondContact O-N 2.97Å |
| 398 | F | 86.1 | Confident | 83.1 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.6 | 177.5 | -106.6 | 0 | 0 | 0 | 112.1 | L394 F395 L396 F401 Q402 | L394-F398 VanDerWaalsContact O-CB 3.3Å; L394-F398 WeakPolarHBondContact O-CB 3.3Å; L394-F398 PolarHBondContact O-N 3.2Å; F395-F398 PolarHBondContact O-N 2.97Å; L396-F398 VanDerWaalsContact C-N 3.33Å; L396-F398 PolarHBondContact O-N 2.9Å; F398-F401 PolarHBondContact O-N 2.71Å; F398-Q402 HydrophobicContact CD1-CG 4.48Å; F398-Q402 HydrophobicContact CE1-CG 4.27Å; F398-Q402 HydrophobicContact CE2-CG 4.44Å; F398-Q402 HydrophobicContact CZ-CG 4.28Å; F398-Q402 WeakPolarHBondContact O-CG 3.29Å; F398-Q402 PolarHBondContact O-N 3.45Å |
| 399 | M | 80.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.034 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.7 | -71.9 | -64.3 | -70.1 | 0 | 0 | 111.3 | C319 L323 Q338 F395 L396 F401 Q402 V403 | C319-M399 HydrophobicContact CB-CB 4.33Å; L323-M399 HydrophobicContact CD2-CE 4.06Å; Q338-M399 PolarHBondContact NE2-SD 2.88Å; F395-M399 WeakPolarHBondContact O-CB 3.42Å; F395-M399 VanDerWaalsContact O-CG 3.23Å; F395-M399 WeakPolarHBondContact O-CG 3.14Å; F395-M399 PolarHBondContact O-N 3.3Å; L396-M399 PolarHBondContact O-N 3.45Å; M399-F401 PolarHBondContact O-N 3.01Å; M399-Q402 PolarHBondContact O-N 3.49Å; M399-V403 VanDerWaalsContact O-CG2 3.3Å; M399-V403 WeakPolarHBondContact O-CG2 3.28Å; M399-V403 PolarHBondContact O-N 3.33Å |
| 400 | V | 81.4 | Confident | 80.6 | Confident | 43 Ų | 43 | 68 Ų | 68 | 26% | 0.261 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L396 C397 Q402 V403 F404 | L396-V400 HydrophobicContact CG-CG2 4.5Å; L396-V400 WeakPolarHBondContact O-CB 3.4Å; L396-V400 VanDerWaalsContact O-CG2 3.23Å; L396-V400 WeakPolarHBondContact O-CG2 3.18Å; L396-V400 PolarHBondContact O-N 3Å; C397-V400 PolarHBondContact O-N 3.49Å; V400-Q402 PolarHBondContact O-N 3.49Å; V400-V403 PolarHBondContact O-N 3.47Å; V400-F404 HydrophobicContact CG1-CD2 3.59Å; V400-F404 HydrophobicContact CG1-CE2 3.38Å; V400-F404 WeakPolarHBondContact O-CD2 3.45Å; V400-F404 PolarHBondContact O-N 2.85Å |
| 401 | F | 81.8 | Confident | 79.1 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 55% | 0.548 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.3 | 175.2 | -100.2 | 0 | 0 | 0 | 112 | C397 F398 M399 V403 F404 R405 | C397-F401 VanDerWaalsContact O-CB 3.31Å; C397-F401 WeakPolarHBondContact O-CB 3.36Å; C397-F401 PolarHBondContact O-N 2.97Å; F398-F401 PolarHBondContact O-N 2.71Å; M399-F401 PolarHBondContact O-N 3.01Å; F401-V403 VanDerWaalsContact C-N 3.33Å; F401-V403 PolarHBondContact O-N 2.94Å; F401-F404 PolarHBondContact O-N 3.26Å; F401-R405 WeakPolarHBondContact O-CB 3.28Å; F401-R405 PolarHBondContact O-N 2.92Å |
| 402 | Q | 79 | Confident | 77.6 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.2 | -75 | -165.9 | -5.1 | 0 | 0 | 112.2 | L323 F398 M399 V400 R405 N406 | L323-Q402 HydrophobicContact CD1-CB 3.82Å; F398-Q402 HydrophobicContact CD1-CG 4.48Å; F398-Q402 HydrophobicContact CE1-CG 4.27Å; F398-Q402 HydrophobicContact CE2-CG 4.44Å; F398-Q402 HydrophobicContact CZ-CG 4.28Å; F398-Q402 WeakPolarHBondContact O-CG 3.29Å; F398-Q402 PolarHBondContact O-N 3.45Å; M399-Q402 PolarHBondContact O-N 3.49Å; V400-Q402 PolarHBondContact O-N 3.49Å; Q402-R405 PolarHBondContact O-N 2.98Å; Q402-N406 WeakPolarHBondContact O-CB 3.39Å; Q402-N406 PolarHBondContact O-N 3.29Å |
| 403 | V | 75 | Confident | 76 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 176.9 | 177 | 0 | 0 | 0 | 0 | 110.3 | L323 M399 V400 F401 R405 N406 I407 F432 | L323-V403 HydrophobicContact CB-CG2 4.13Å; L323-V403 HydrophobicContact CD1-CB 4.48Å; L323-V403 HydrophobicContact CD1-CG2 3.74Å; M399-V403 VanDerWaalsContact O-CG2 3.3Å; M399-V403 WeakPolarHBondContact O-CG2 3.28Å; M399-V403 PolarHBondContact O-N 3.33Å; V400-V403 PolarHBondContact O-N 3.47Å; F401-V403 VanDerWaalsContact C-N 3.33Å; F401-V403 PolarHBondContact O-N 2.94Å; V403-R405 VanDerWaalsContact C-N 3.34Å; V403-R405 PolarHBondContact O-N 3.33Å; V403-N406 PolarHBondContact O-N 3.49Å; V403-I407 HydrophobicContact CG1-CD1 3.68Å; V403-I407 HydrophobicContact CG1-CG1 4.24Å; V403-I407 WeakPolarHBondContact O-CB 3.47Å; V403-I407 VanDerWaalsContact O-CG1 3.24Å; V403-I407 WeakPolarHBondContact O-CG1 3.41Å; V403-I407 PolarHBondContact O-N 3.47Å; V403-F432 HydrophobicContact CB-CE1 3.94Å; V403-F432 HydrophobicContact CB-CE2 4.19Å; V403-F432 HydrophobicContact CB-CZ 3.65Å; V403-F432 HydrophobicContact CG1-CD1 3.58Å; V403-F432 HydrophobicContact CG1-CD2 3.99Å; V403-F432 HydrophobicContact CG1-CE1 3.26Å; V403-F432 HydrophobicContact CG1-CE2 3.7Å; V403-F432 HydrophobicContact CG1-CG 3.93Å; V403-F432 HydrophobicContact CG1-CZ 3.33Å; V403-F432 HydrophobicContact CG2-CE2 4.16Å; V403-F432 HydrophobicContact CG2-CZ 4.07Å |
| 404 | F | 74.5 | Confident | 74.6 | Confident | 104 Ų | 104 | 71.3 Ų | 71.3 | 46% | 0.456 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 175.5 | -80.9 | -62.5 | 0 | 0 | 0 | 112.4 | V400 F401 I407 S408 | V400-F404 HydrophobicContact CG1-CD2 3.59Å; V400-F404 HydrophobicContact CG1-CE2 3.38Å; V400-F404 WeakPolarHBondContact O-CD2 3.45Å; V400-F404 PolarHBondContact O-N 2.85Å; F401-F404 PolarHBondContact O-N 3.26Å; F404-I407 PolarHBondContact O-N 3.33Å; F404-S408 WeakPolarHBondContact O-CB 3.39Å; F404-S408 PolarHBondContact O-N 3.04Å |
| 405 | R | 76.9 | Confident | 73.2 | Confident | 172 Ų | 172 | 70.5 Ų | 70.5 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 177.2 | -163.9 | 177.5 | 75.5 | 162.6 | 3 | 111.7 | F401 Q402 V403 S408 G409 | F401-R405 WeakPolarHBondContact O-CB 3.28Å; F401-R405 PolarHBondContact O-N 2.92Å; Q402-R405 PolarHBondContact O-N 2.98Å; V403-R405 VanDerWaalsContact C-N 3.34Å; V403-R405 PolarHBondContact O-N 3.33Å; R405-S408 PolarHBondContact O-N 3.46Å; R405-G409 PolarHBondContact O-N 3.35Å |
| 406 | N | 71.9 | Confident | 72 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 13% | 0.134 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.8 | -162.7 | -24.2 | 0 | 0 | 0 | 111.3 | D325 Q402 V403 S408 G409 K410 | D325-N406 PolarHBondContact OD1-ND2 3.42Å; Q402-N406 WeakPolarHBondContact O-CB 3.39Å; Q402-N406 PolarHBondContact O-N 3.29Å; V403-N406 PolarHBondContact O-N 3.49Å; N406-S408 VanDerWaalsContact C-N 3.33Å; N406-S408 PolarHBondContact O-N 3.44Å; N406-G409 PolarHBondContact O-N 3.31Å; N406-K410 WeakPolarHBondContact O-CB 3.37Å; N406-K410 PolarHBondContact O-N 3.04Å; N406-K410 WeakPolarHBondContact OD1-CD 3.43Å; N406-K410 WeakPolarHBondContact OD1-CE 3.23Å; N406-K410 PolarHBondContact OD1-NZ 3.48Å |
| 407 | I | 69.3 | Low | 70.9 | Confident | 21 Ų | 21 | 73.2 Ų | 73.2 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 174.9 | -69.6 | 172 | 0 | 0 | 0 | 111.2 | V403 F404 R411 K429 F432 | V403-I407 HydrophobicContact CG1-CD1 3.68Å; V403-I407 HydrophobicContact CG1-CG1 4.24Å; V403-I407 WeakPolarHBondContact O-CB 3.47Å; V403-I407 VanDerWaalsContact O-CG1 3.24Å; V403-I407 WeakPolarHBondContact O-CG1 3.41Å; V403-I407 PolarHBondContact O-N 3.47Å; F404-I407 PolarHBondContact O-N 3.33Å; I407-R411 PolarHBondContact O-N 3.05Å; I407-K429 HydrophobicContact CG1-CG 4.3Å; I407-K429 HydrophobicContact CG2-CD 4.14Å; I407-K429 HydrophobicContact CG2-CG 4.2Å; I407-F432 HydrophobicContact CD1-CD1 3.83Å; I407-F432 HydrophobicContact CD1-CE1 4.42Å |
| 408 | S | 69.5 | Low | 70 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.2 | -49.5 | 178.8 | -168 | 0 | 0 | 0 | 0 | 111.7 | F404 R405 N406 K410 R411 | F404-S408 WeakPolarHBondContact O-CB 3.39Å; F404-S408 PolarHBondContact O-N 3.04Å; R405-S408 PolarHBondContact O-N 3.46Å; N406-S408 VanDerWaalsContact C-N 3.33Å; N406-S408 PolarHBondContact O-N 3.44Å; S408-K410 VanDerWaalsContact C-N 3.34Å; S408-K410 PolarHBondContact O-N 2.9Å; S408-R411 VanDerWaalsContact O-CB 3.23Å; S408-R411 WeakPolarHBondContact O-CB 3.43Å; S408-R411 PolarHBondContact O-N 3.43Å |
| 409 | G | 67.8 | Low | 68.7 | Low | 47 Ų | 47 | 76.1 Ų | 76.1 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R405 N406 R411 T412 | R405-G409 PolarHBondContact O-N 3.35Å; N406-G409 PolarHBondContact O-N 3.31Å; G409-R411 VanDerWaalsContact C-N 3.29Å; G409-R411 PolarHBondContact O-N 3.05Å; G409-T412 PolarHBondContact O-OG1 2.97Å |
| 410 | K | 64.4 | Low | 67.4 | Low | 51 Ų | 51 | 79.6 Ų | 79.6 | 22% | 0.222 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.6 | 174.1 | -66.6 | 179.3 | -177.5 | 158.5 | 0 | 113 | M324 D325 N406 S408 L414 K429 | M324-K410 HydrophobicContact CE-CD 3.42Å; M324-K410 VanDerWaalsContact CE-CD 3.42Å; D325-K410 IonicContact OD1-NZ 3.25Å; D325-K410 PolarHBondContact OD1-NZ 3.17Å; N406-K410 WeakPolarHBondContact O-CB 3.37Å; N406-K410 PolarHBondContact O-N 3.04Å; N406-K410 WeakPolarHBondContact OD1-CD 3.43Å; N406-K410 WeakPolarHBondContact OD1-CE 3.23Å; N406-K410 PolarHBondContact OD1-NZ 3.48Å; S408-K410 VanDerWaalsContact C-N 3.34Å; S408-K410 PolarHBondContact O-N 2.9Å; K410-L414 WeakPolarHBondContact O-CG 3.35Å; K410-K429 PolarHBondContact O-NZ 3.18Å |
| 411 | R | 62 | Low | 66.4 | Low | 170 Ų | 170 | 84.9 Ų | 84.9 | 64% | 0.642 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -33.1 | 174.4 | -168.4 | 178.7 | -176.7 | -176.2 | -1.1 | 111.7 | I407 S408 G409 S413 | I407-R411 PolarHBondContact O-N 3.05Å; S408-R411 VanDerWaalsContact O-CB 3.23Å; S408-R411 WeakPolarHBondContact O-CB 3.43Å; S408-R411 PolarHBondContact O-N 3.43Å; G409-R411 VanDerWaalsContact C-N 3.29Å; G409-R411 PolarHBondContact O-N 3.05Å; R411-S413 VanDerWaalsContact C-N 3.34Å |
| 412 | T | 59.5 | Low | 65.3 | Low | 117 Ų | 117 | 84 Ų | 84 | 72% | 0.718 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -71.3 | -27 | 179.8 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | G409 P415 | G409-T412 PolarHBondContact O-OG1 2.97Å; T412-P415 WeakPolarHBondContact O-CD 3.22Å |
| 413 | S | 58.6 | Low | 64.1 | Low | 45 Ų | 45 | 86 Ų | 86 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -94.3 | -7.8 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | R411 P415 A416 | R411-S413 VanDerWaalsContact C-N 3.34Å; S413-P415 VanDerWaalsContact C-CD 3.41Å; S413-A416 PolarHBondContact O-N 2.98Å |
| 414 | L | 59.6 | Low | 63.3 | Low | 19 Ų | 19 | 91.5 Ų | 91.5 | 10% | 0.099 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -59.4 | -37.1 | 178.9 | -86.5 | 172.3 | 0 | 0 | 0 | 115.3 | K410 A416 R422 E426 K429 | K410-L414 WeakPolarHBondContact O-CG 3.35Å; L414-A416 PolarHBondContact O-N 3.14Å; L414-R422 HydrophobicContact CD2-CG 4.16Å; L414-E426 HydrophobicContact CD2-CG 4.48Å; L414-K429 VanDerWaalsContact CD1-NZ 3.27Å |
| 415 | P | 60.4 | Low | 62.4 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 67% | 0.669 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -66.8 | -21.8 | 179.8 | -18.6 | 31.2 | 0 | 0 | 0 | 113.6 | T412 S413 | T412-P415 WeakPolarHBondContact O-CD 3.22Å; S413-P415 VanDerWaalsContact C-CD 3.41Å |
| 416 | A | 60.6 | Low | 61.5 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 79% | 0.785 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -93.2 | 0.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S413 L414 | S413-A416 PolarHBondContact O-N 2.98Å; L414-A416 PolarHBondContact O-N 3.14Å |
| 417 | M | 63 | Low | 60.7 | Low | 65 Ų | 65 | 87.9 Ų | 87.9 | 32% | 0.32 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -102.2 | 154.4 | -177.8 | -61.9 | -166.9 | -161.1 | 0 | 0 | 113.2 | R421 Y425 | M417-R421 HydrophobicContact SD-CG 4.25Å; M417-Y425 HydrophobicContact SD-CD2 3.86Å; M417-Y425 HydrophobicContact SD-CE2 3.79Å |
| 418 | S | 67.4 | Low | 60 | Low | 70 Ų | 70 | 88.6 Ų | 88.6 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | trans | -59.7 | 147.8 | 176.4 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | A420 R421 R422 | S418-A420 VanDerWaalsContact C-N 3.29Å; S418-A420 PolarHBondContact O-N 3.37Å; S418-R421 PolarHBondContact O-N 2.9Å; S418-R421 WeakPolarHBondContact OG-CB 3.19Å; S418-R422 WeakPolarHBondContact O-CB 3.39Å; S418-R422 PolarHBondContact O-N 3.22Å | ||
| 419 | K | 58.8 | Low | 59.3 | Low | 187 Ų | 187 | 86.1 Ų | 86.1 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -52.8 | -40.2 | -175.2 | -79.6 | -179.2 | 178.1 | 174.7 | 0 | 113.6 | L423 | K419-L423 PolarHBondContact O-N 2.8Å |
| 420 | A | 54.7 | Low | 58.7 | Low | 81 Ų | 81 | 88.9 Ų | 88.9 | 67% | 0.669 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S418 H424 | S418-A420 VanDerWaalsContact C-N 3.29Å; S418-A420 PolarHBondContact O-N 3.37Å; A420-H424 PolarHBondContact O-N 3.43Å; A420-H424 VanDerWaalsContact O-N 3.11Å |
| 421 | R | 59.2 | Low | 58.4 | Low | 153 Ų | 153 | 87 Ų | 87 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.4 | -37.5 | 177.5 | -164.8 | 173.5 | -69.3 | 172.6 | 0.3 | 111 | M417 S418 H424 Y425 | M417-R421 HydrophobicContact SD-CG 4.25Å; S418-R421 PolarHBondContact O-N 2.9Å; S418-R421 WeakPolarHBondContact OG-CB 3.19Å; R421-H424 WeakPolarHBondContact O-CB 3.49Å; R421-H424 PolarHBondContact O-N 2.83Å; R421-Y425 HydrophobicContact CG-CD2 4Å; R421-Y425 HydrophobicContact CG-CE2 3.66Å; R421-Y425 WeakPolarHBondContact O-CD2 3.35Å; R421-Y425 PolarHBondContact O-N 3.49Å; R421-Y425 VanDerWaalsContact O-N 3.08Å |
| 422 | R | 58.6 | Low | 58.2 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 172.9 | -175.7 | 175 | 171.2 | 179.4 | -2.2 | 112.5 | L414 S418 H424 Y425 E426 | L414-R422 HydrophobicContact CD2-CG 4.16Å; S418-R422 WeakPolarHBondContact O-CB 3.39Å; S418-R422 PolarHBondContact O-N 3.22Å; R422-H424 VanDerWaalsContact C-N 3.29Å; R422-H424 PolarHBondContact O-N 3.14Å; R422-Y425 PolarHBondContact O-N 3.04Å; R422-Y425 VanDerWaalsContact O-N 3.14Å; R422-E426 HydrophobicContact CG-CG 4.41Å; R422-E426 IonicContact CZ-OE1 2.88Å; R422-E426 IonicContact NE-OE1 3.59Å; R422-E426 PolarHBondContact NE-OE1 2.93Å; R422-E426 IonicContact NH2-OE1 2.89Å; R422-E426 PolarHBondContact NH2-OE1 2.91Å; R422-E426 PolarHBondContact O-N 2.74Å |
| 423 | L | 54.9 | Low | 58.4 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 175.5 | -124.4 | 87.7 | 0 | 0 | 0 | 111.9 | K419 Y425 K427 | K419-L423 PolarHBondContact O-N 2.8Å; L423-Y425 VanDerWaalsContact C-N 3.29Å; L423-Y425 PolarHBondContact O-N 3.48Å; L423-K427 WeakPolarHBondContact O-CB 3.25Å; L423-K427 VanDerWaalsContact O-CD 3.29Å; L423-K427 WeakPolarHBondContact O-CD 3.48Å; L423-K427 WeakPolarHBondContact O-CG 3.42Å; L423-K427 PolarHBondContact O-N 3.36Å |
| 424 | H | 58.1 | Low | 58.4 | Low | 117 Ų | 117 | 80.9 Ų | 80.9 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 175.3 | -170 | 74.1 | 0 | 0 | 0 | 112.6 | A420 R421 R422 P428 | A420-H424 PolarHBondContact O-N 3.43Å; A420-H424 VanDerWaalsContact O-N 3.11Å; R421-H424 WeakPolarHBondContact O-CB 3.49Å; R421-H424 PolarHBondContact O-N 2.83Å; R422-H424 VanDerWaalsContact C-N 3.29Å; R422-H424 PolarHBondContact O-N 3.14Å; H424-P428 WeakPolarHBondContact O-CD 3.5Å; H424-P428 WeakPolarHBondContact O-CG 3.14Å |
| 425 | Y | 55.9 | Low | 58.7 | Low | 69 Ų | 69 | 80.5 Ų | 80.5 | 27% | 0.271 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -90.1 | -27 | 176.7 | -76.7 | -62.1 | 0 | 0 | 0 | 114.9 | M324 M417 R421 R422 L423 K429 | M324-Y425 HydrophobicContact CE-CD1 3.44Å; M324-Y425 VanDerWaalsContact CE-CD1 3.44Å; M324-Y425 HydrophobicContact CE-CE1 3.6Å; M324-Y425 HydrophobicContact SD-CD1 3.58Å; M324-Y425 VanDerWaalsContact SD-CD1 3.58Å; M324-Y425 HydrophobicContact SD-CE1 3.63Å; M417-Y425 HydrophobicContact SD-CD2 3.86Å; M417-Y425 HydrophobicContact SD-CE2 3.79Å; R421-Y425 HydrophobicContact CG-CD2 4Å; R421-Y425 HydrophobicContact CG-CE2 3.66Å; R421-Y425 WeakPolarHBondContact O-CD2 3.35Å; R421-Y425 PolarHBondContact O-N 3.49Å; R421-Y425 VanDerWaalsContact O-N 3.08Å; R422-Y425 PolarHBondContact O-N 3.04Å; R422-Y425 VanDerWaalsContact O-N 3.14Å; L423-Y425 VanDerWaalsContact C-N 3.29Å; L423-Y425 PolarHBondContact O-N 3.48Å; Y425-K429 WeakPolarHBondContact O-CG 3.49Å |
| 426 | E | 56.5 | Low | 58.8 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.7 | -30.3 | 176 | -79.2 | 177.2 | 178.1 | 0 | 0 | 112.2 | L414 R422 K429 F430 | L414-E426 HydrophobicContact CD2-CG 4.48Å; R422-E426 HydrophobicContact CG-CG 4.41Å; R422-E426 IonicContact CZ-OE1 2.88Å; R422-E426 IonicContact NE-OE1 3.59Å; R422-E426 PolarHBondContact NE-OE1 2.93Å; R422-E426 IonicContact NH2-OE1 2.89Å; R422-E426 PolarHBondContact NH2-OE1 2.91Å; R422-E426 PolarHBondContact O-N 2.74Å; E426-K429 PolarHBondContact O-N 3.37Å; E426-F430 PolarHBondContact O-N 3.48Å; E426-F430 VanDerWaalsContact O-N 3.17Å |
| 427 | K | 55.2 | Low | 59.1 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -49 | -179.1 | -74.7 | 169.1 | -174 | -175.4 | 0 | 114.2 | L423 K429 F430 Q431 | L423-K427 WeakPolarHBondContact O-CB 3.25Å; L423-K427 VanDerWaalsContact O-CD 3.29Å; L423-K427 WeakPolarHBondContact O-CD 3.48Å; L423-K427 WeakPolarHBondContact O-CG 3.42Å; L423-K427 PolarHBondContact O-N 3.36Å; K427-K429 VanDerWaalsContact C-N 3.29Å; K427-K429 PolarHBondContact O-N 3.06Å; K427-F430 PolarHBondContact O-N 3.18Å; K427-Q431 WeakPolarHBondContact O-CG 3.49Å; K427-Q431 PolarHBondContact O-N 2.93Å |
| 428 | P | 55.2 | Low | 59.6 | Low | 36 Ų | 36 | 78.1 Ų | 78.1 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 174.5 | -22.3 | 33.3 | 0 | 0 | 0 | 113.3 | H424 Q431 F432 | H424-P428 WeakPolarHBondContact O-CD 3.5Å; H424-P428 WeakPolarHBondContact O-CG 3.14Å; P428-Q431 PolarHBondContact O-N 2.8Å; P428-F432 WeakPolarHBondContact O-CB 3.47Å; P428-F432 PolarHBondContact O-N 3.39Å |
| 429 | K | 55.4 | Low | 59.9 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 176.9 | -71.3 | 179 | -175.3 | -168.8 | 0 | 112.2 | I407 K410 L414 Y425 E426 K427 R433 | I407-K429 HydrophobicContact CG1-CG 4.3Å; I407-K429 HydrophobicContact CG2-CD 4.14Å; I407-K429 HydrophobicContact CG2-CG 4.2Å; K410-K429 PolarHBondContact O-NZ 3.18Å; L414-K429 VanDerWaalsContact CD1-NZ 3.27Å; Y425-K429 WeakPolarHBondContact O-CG 3.49Å; E426-K429 PolarHBondContact O-N 3.37Å; K427-K429 VanDerWaalsContact C-N 3.29Å; K427-K429 PolarHBondContact O-N 3.06Å; K429-R433 WeakPolarHBondContact O-CB 3.4Å; K429-R433 PolarHBondContact O-N 2.95Å |
| 430 | F | 54.6 | Low | 60.6 | Low | 105 Ų | 105 | 70.6 Ų | 70.6 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 175 | -179.1 | -100.4 | 0 | 0 | 0 | 111.7 | L14 E426 K427 R433 F434 | L14-F430 HydrophobicContact CD2-CE1 4.07Å; L14-F430 HydrophobicContact CD2-CZ 3.92Å; E426-F430 PolarHBondContact O-N 3.48Å; E426-F430 VanDerWaalsContact O-N 3.17Å; K427-F430 PolarHBondContact O-N 3.18Å; F430-R433 PolarHBondContact O-N 3.34Å; F430-F434 HydrophobicContact CZ-CD2 4.45Å; F430-F434 WeakPolarHBondContact O-CB 3.42Å; F430-F434 PolarHBondContact O-N 3.39Å |
| 431 | Q | 59.2 | Low | 61.7 | Low | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 177.3 | -69.8 | 166.9 | -18.4 | 0 | 0 | 112 | I6 E7 K427 P428 R433 F434 I435 | I6-Q431 HydrophobicContact CD1-CG 4.21Å; I6-Q431 HydrophobicContact CG1-CG 4.39Å; I6-Q431 HydrophobicContact CG2-CG 4.22Å; E7-Q431 PolarHBondContact OE1-NE2 3.46Å; K427-Q431 WeakPolarHBondContact O-CG 3.49Å; K427-Q431 PolarHBondContact O-N 2.93Å; P428-Q431 PolarHBondContact O-N 2.8Å; Q431-R433 PolarHBondContact O-N 3.35Å; Q431-F434 PolarHBondContact O-N 3.49Å; Q431-I435 HydrophobicContact CB-CD1 4.07Å; Q431-I435 VanDerWaalsContact O-CB 3.28Å; Q431-I435 WeakPolarHBondContact O-CB 3.4Å; Q431-I435 WeakPolarHBondContact O-CD1 3.29Å; Q431-I435 PolarHBondContact O-N 2.93Å |
| 432 | F | 57.5 | Low | 62.7 | Low | 10 Ų | 10 | 63.1 Ų | 63.1 | 4% | 0.044 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 179.3 | -175.5 | -94.2 | 0 | 0 | 0 | 112.6 | F318 H322 V403 I407 P428 G436 | F318-F432 HydrophobicContact CE1-CD2 4.15Å; H322-F432 HydrophobicContact CB-CD2 3.71Å; H322-F432 HydrophobicContact CB-CE2 4.38Å; H322-F432 HydrophobicContact CB-CG 4.46Å; V403-F432 HydrophobicContact CB-CE1 3.94Å; V403-F432 HydrophobicContact CB-CE2 4.19Å; V403-F432 HydrophobicContact CB-CZ 3.65Å; V403-F432 HydrophobicContact CG1-CD1 3.58Å; V403-F432 HydrophobicContact CG1-CD2 3.99Å; V403-F432 HydrophobicContact CG1-CE1 3.26Å; V403-F432 HydrophobicContact CG1-CE2 3.7Å; V403-F432 HydrophobicContact CG1-CG 3.93Å; V403-F432 HydrophobicContact CG1-CZ 3.33Å; V403-F432 HydrophobicContact CG2-CE2 4.16Å; V403-F432 HydrophobicContact CG2-CZ 4.07Å; I407-F432 HydrophobicContact CD1-CD1 3.83Å; I407-F432 HydrophobicContact CD1-CE1 4.42Å; P428-F432 WeakPolarHBondContact O-CB 3.47Å; P428-F432 PolarHBondContact O-N 3.39Å; F432-G436 VanDerWaalsContact O-CA 3.28Å; F432-G436 WeakPolarHBondContact O-CA 3.38Å; F432-G436 PolarHBondContact O-N 3.23Å |
| 433 | R | 63.2 | Low | 63.8 | Low | 128 Ų | 128 | 59.8 Ų | 59.8 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 174.8 | -84.5 | -178 | 172.2 | 177 | -4.9 | 112.3 | K429 F430 Q431 L437 | K429-R433 WeakPolarHBondContact O-CB 3.4Å; K429-R433 PolarHBondContact O-N 2.95Å; F430-R433 PolarHBondContact O-N 3.34Å; Q431-R433 PolarHBondContact O-N 3.35Å; R433-L437 VanDerWaalsContact O-CB 3.31Å; R433-L437 WeakPolarHBondContact O-CB 3.14Å; R433-L437 VanDerWaalsContact O-CD1 3.29Å; R433-L437 WeakPolarHBondContact O-CD1 3.07Å; R433-L437 WeakPolarHBondContact O-CG 3.3Å; R433-L437 PolarHBondContact O-N 3.02Å; R433-L437 VanDerWaalsContact O-N 3.11Å |
| 434 | F | 59.3 | Low | 65 | Low | 65 Ų | 65 | 60.9 Ų | 60.9 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69 | -45.8 | -177.9 | -170.7 | -102.9 | 0 | 0 | 0 | 111.7 | L14 F430 Q431 I438 | L14-F434 HydrophobicContact CD1-CE1 3.87Å; L14-F434 HydrophobicContact CD1-CZ 3.95Å; L14-F434 HydrophobicContact CD2-CD2 4.41Å; L14-F434 HydrophobicContact CD2-CE1 4.05Å; L14-F434 HydrophobicContact CD2-CE2 3.9Å; L14-F434 HydrophobicContact CD2-CZ 3.7Å; L14-F434 HydrophobicContact CG-CE1 4.24Å; L14-F434 HydrophobicContact CG-CE2 4.43Å; L14-F434 HydrophobicContact CG-CZ 3.84Å; F430-F434 HydrophobicContact CZ-CD2 4.45Å; F430-F434 WeakPolarHBondContact O-CB 3.42Å; F430-F434 PolarHBondContact O-N 3.39Å; Q431-F434 PolarHBondContact O-N 3.49Å; F434-I438 HydrophobicContact CD1-CD1 3.81Å; F434-I438 HydrophobicContact CE1-CD1 3.52Å; F434-I438 HydrophobicContact CG-CD1 4.43Å; F434-I438 HydrophobicContact CZ-CD1 3.91Å; F434-I438 WeakPolarHBondContact O-CD1 3.48Å; F434-I438 VanDerWaalsContact O-CG1 3.3Å; F434-I438 WeakPolarHBondContact O-CG1 3.36Å; F434-I438 PolarHBondContact O-N 3.39Å |
| 435 | I | 64 | Low | 66.2 | Low | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -86.1 | -15.3 | -179.1 | -63.8 | 132.4 | 0 | 0 | 0 | 112.4 | I6 F318 Q431 P439 Y492 | I6-I435 HydrophobicContact CD1-CD1 3.36Å; I6-I435 HydrophobicContact CD1-CG1 4.26Å; F318-I435 HydrophobicContact CE1-CB 4.3Å; F318-I435 HydrophobicContact CE1-CG2 3.81Å; F318-I435 HydrophobicContact CE2-CG2 3.8Å; F318-I435 HydrophobicContact CZ-CB 3.77Å; F318-I435 HydrophobicContact CZ-CD1 4.44Å; F318-I435 HydrophobicContact CZ-CG2 3.33Å; Q431-I435 HydrophobicContact CB-CD1 4.07Å; Q431-I435 VanDerWaalsContact O-CB 3.28Å; Q431-I435 WeakPolarHBondContact O-CB 3.4Å; Q431-I435 WeakPolarHBondContact O-CD1 3.29Å; Q431-I435 PolarHBondContact O-N 2.93Å; I435-P439 WeakPolarHBondContact O-CD 3.4Å; I435-P439 WeakPolarHBondContact O-CG 3.25Å; I435-Y492 HydrophobicContact CD1-CE2 3.56Å; I435-Y492 WeakPolarHBondContact CD1-OH 3.25Å; I435-Y492 HydrophobicContact CG1-CE2 4.23Å |
| 436 | G | 62.6 | Low | 67.6 | Low | 26 Ų | 26 | 58.2 Ų | 58.2 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.2 | -36.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F432 T440 | F432-G436 VanDerWaalsContact O-CA 3.28Å; F432-G436 WeakPolarHBondContact O-CA 3.38Å; F432-G436 PolarHBondContact O-N 3.23Å; G436-T440 PolarHBondContact O-OG1 3.35Å |
| 437 | L | 67.6 | Low | 68.9 | Low | 121 Ų | 121 | 61.8 Ų | 61.8 | 63% | 0.634 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.9 | -35.7 | -179.5 | -76.1 | 168.2 | 0 | 0 | 0 | 113.5 | R433 T440 A441 | R433-L437 VanDerWaalsContact O-CB 3.31Å; R433-L437 WeakPolarHBondContact O-CB 3.14Å; R433-L437 VanDerWaalsContact O-CD1 3.29Å; R433-L437 WeakPolarHBondContact O-CD1 3.07Å; R433-L437 WeakPolarHBondContact O-CG 3.3Å; R433-L437 PolarHBondContact O-N 3.02Å; R433-L437 VanDerWaalsContact O-N 3.11Å; L437-T440 PolarHBondContact O-N 2.88Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.17Å |
| 438 | I | 73 | Confident | 70.4 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -52.8 | -177.4 | -69.2 | 163.8 | 0 | 0 | 0 | 112.3 | F434 T440 A441 C442 Y484 | F434-I438 HydrophobicContact CD1-CD1 3.81Å; F434-I438 HydrophobicContact CE1-CD1 3.52Å; F434-I438 HydrophobicContact CG-CD1 4.43Å; F434-I438 HydrophobicContact CZ-CD1 3.91Å; F434-I438 WeakPolarHBondContact O-CD1 3.48Å; F434-I438 VanDerWaalsContact O-CG1 3.3Å; F434-I438 WeakPolarHBondContact O-CG1 3.36Å; F434-I438 PolarHBondContact O-N 3.39Å; I438-T440 VanDerWaalsContact C-N 3.29Å; I438-T440 PolarHBondContact O-N 3.32Å; I438-A441 PolarHBondContact O-N 3.38Å; I438-C442 PolarHBondContact O-N 3.41Å; I438-C442 PolarHBondContact O-SG 3.32Å; I438-C442 VanDerWaalsContact O-SG 3.34Å; I438-Y484 HydrophobicContact CG2-CD2 4.25Å; I438-Y484 HydrophobicContact CG2-CE2 4.42Å |
| 439 | P | 74.4 | Confident | 71.6 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 175.3 | -17.8 | 26.4 | 0 | 0 | 0 | 112.7 | W315 I435 C442 A443 Y484 | W315-P439 HydrophobicContact CZ2-CB 4.07Å; I435-P439 WeakPolarHBondContact O-CD 3.4Å; I435-P439 WeakPolarHBondContact O-CG 3.25Å; P439-C442 PolarHBondContact O-N 2.84Å; P439-A443 WeakPolarHBondContact O-CA 3.29Å; P439-A443 PolarHBondContact O-N 3.19Å; P439-Y484 HydrophobicContact CB-CE2 4.38Å; P439-Y484 HydrophobicContact CG-CE2 3.82Å |
| 440 | T | 73.5 | Confident | 73 | Confident | 82 Ų | 82 | 69 Ų | 69 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 176.1 | -53 | 0 | 0 | 0 | 0 | 111.5 | G436 L437 I438 A443 L444 | G436-T440 PolarHBondContact O-OG1 3.35Å; L437-T440 PolarHBondContact O-N 2.88Å; I438-T440 VanDerWaalsContact C-N 3.29Å; I438-T440 PolarHBondContact O-N 3.32Å; T440-A443 WeakPolarHBondContact O-CA 3.33Å; T440-A443 PolarHBondContact O-N 3.42Å; T440-L444 HydrophobicContact CG2-CD1 4.34Å; T440-L444 PolarHBondContact O-N 3.45Å |
| 441 | A | 77.8 | Confident | 74.4 | Confident | 58 Ų | 58 | 70 Ų | 70 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L437 I438 A443 L444 M445 | L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.17Å; I438-A441 PolarHBondContact O-N 3.38Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 2.86Å; A441-L444 PolarHBondContact O-N 3.27Å; A441-M445 VanDerWaalsContact O-CB 3.32Å; A441-M445 WeakPolarHBondContact O-CB 3.43Å; A441-M445 PolarHBondContact O-N 3Å |
| 442 | C | 80.9 | Confident | 75.4 | Confident | 20 Ų | 20 | 70.3 Ų | 70.3 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 171.4 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | I438 P439 M445 Q446 M480 | I438-C442 PolarHBondContact O-N 3.41Å; I438-C442 PolarHBondContact O-SG 3.32Å; I438-C442 VanDerWaalsContact O-SG 3.34Å; P439-C442 PolarHBondContact O-N 2.84Å; C442-M445 PolarHBondContact O-N 2.88Å; C442-Q446 WeakPolarHBondContact O-CB 3.35Å; C442-Q446 PolarHBondContact O-N 3.42Å; C442-M480 HydrophobicContact CB-CE 4.02Å; C442-M480 HydrophobicContact CB-CG 4.35Å; C442-M480 HydrophobicContact CB-SD 3.65Å |
| 443 | A | 80.7 | Confident | 76.4 | Confident | 37 Ų | 37 | 70.6 Ų | 70.6 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -40.9 | -67.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P439 T440 A441 M445 Q446 F447 | P439-A443 WeakPolarHBondContact O-CA 3.29Å; P439-A443 PolarHBondContact O-N 3.19Å; T440-A443 WeakPolarHBondContact O-CA 3.33Å; T440-A443 PolarHBondContact O-N 3.42Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 2.86Å; A443-M445 VanDerWaalsContact C-N 3.35Å; A443-M445 PolarHBondContact O-N 3.29Å; A443-Q446 PolarHBondContact O-N 2.92Å; A443-F447 PolarHBondContact O-N 3.29Å |
| 444 | L | 81.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 60% | 0.602 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.6 | -43.2 | -179.9 | -96.8 | 149.8 | 0 | 0 | 0 | 112.1 | T440 A441 F447 Y448 | T440-L444 HydrophobicContact CG2-CD1 4.34Å; T440-L444 PolarHBondContact O-N 3.45Å; A441-L444 PolarHBondContact O-N 3.27Å; L444-F447 PolarHBondContact O-N 3.38Å; L444-Y448 WeakPolarHBondContact O-CB 3.49Å; L444-Y448 PolarHBondContact O-N 3.25Å |
| 445 | M | 81.8 | Confident | 78.2 | Confident | 77 Ų | 77 | 70.8 Ų | 70.8 | 38% | 0.379 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 178.7 | -172.7 | 178.1 | -168 | 0 | 0 | 111.3 | F29 A441 C442 A443 Y448 L449 M480 | F29-M445 HydrophobicContact CD2-CE 4.36Å; F29-M445 HydrophobicContact CE2-CE 3.31Å; F29-M445 HydrophobicContact CE2-SD 4.39Å; F29-M445 HydrophobicContact CZ-CE 3.51Å; F29-M445 HydrophobicContact CZ-SD 4.45Å; A441-M445 VanDerWaalsContact O-CB 3.32Å; A441-M445 WeakPolarHBondContact O-CB 3.43Å; A441-M445 PolarHBondContact O-N 3Å; C442-M445 PolarHBondContact O-N 2.88Å; A443-M445 VanDerWaalsContact C-N 3.35Å; A443-M445 PolarHBondContact O-N 3.29Å; M445-Y448 PolarHBondContact O-N 3.44Å; M445-L449 HydrophobicContact CE-CD1 4.17Å; M445-L449 HydrophobicContact CG-CD1 3.94Å; M445-L449 HydrophobicContact CG-CG 4.46Å; M445-L449 WeakPolarHBondContact O-CB 3.42Å; M445-L449 VanDerWaalsContact O-CG 3.27Å; M445-L449 WeakPolarHBondContact O-CG 3.48Å; M445-L449 PolarHBondContact O-N 2.89Å; M445-M480 HydrophobicContact SD-SD 4.37Å |
| 446 | Q | 84.8 | Confident | 78.5 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176 | 170.1 | 156.4 | 11.3 | 0 | 0 | 111.6 | C442 A443 L449 F450 I477 M480 | C442-Q446 WeakPolarHBondContact O-CB 3.35Å; C442-Q446 PolarHBondContact O-N 3.42Å; A443-Q446 PolarHBondContact O-N 2.92Å; Q446-L449 PolarHBondContact O-N 3.47Å; Q446-F450 VanDerWaalsContact O-CB 3.26Å; Q446-F450 WeakPolarHBondContact O-CB 3.45Å; Q446-F450 PolarHBondContact O-N 3.24Å; Q446-I477 HydrophobicContact CB-CD1 3.62Å; Q446-I477 VanDerWaalsContact CD-CD1 3.46Å; Q446-I477 HydrophobicContact CG-CD1 3.33Å; Q446-M480 HydrophobicContact CB-CE 4.19Å |
| 447 | F | 85.5 | Confident | 78.5 | Confident | 148 Ų | 148 | 79.8 Ų | 79.8 | 65% | 0.649 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 178.3 | -174.8 | -97.6 | 0 | 0 | 0 | 112.3 | A443 L444 F450 F451 | A443-F447 PolarHBondContact O-N 3.29Å; L444-F447 PolarHBondContact O-N 3.38Å; F447-F450 PolarHBondContact O-N 2.87Å; F447-F451 PolarHBondContact O-N 3.46Å |
| 448 | Y | 85.1 | Confident | 78.2 | Confident | 158 Ų | 158 | 74.9 Ų | 74.9 | 62% | 0.62 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | 177.7 | 174.4 | -98.9 | 0 | 0 | 0 | 112.1 | L444 M445 F451 S452 | L444-Y448 WeakPolarHBondContact O-CB 3.49Å; L444-Y448 PolarHBondContact O-N 3.25Å; M445-Y448 PolarHBondContact O-N 3.44Å; Y448-F451 PolarHBondContact O-N 3.32Å; Y448-S452 WeakPolarHBondContact O-CB 3.31Å; Y448-S452 PolarHBondContact O-N 2.87Å |
| 449 | L | 81.1 | Confident | 77.8 | Confident | 34 Ų | 34 | 76 Ų | 76 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.5 | -37.8 | -179.9 | -67.5 | 170 | 0 | 0 | 0 | 112.2 | F29 M445 Q446 S452 S453 F473 | F29-L449 HydrophobicContact CE1-CD1 3.51Å; F29-L449 HydrophobicContact CZ-CD1 3.46Å; F29-L449 VanDerWaalsContact CZ-CD1 3.46Å; M445-L449 HydrophobicContact CE-CD1 4.17Å; M445-L449 HydrophobicContact CG-CD1 3.94Å; M445-L449 HydrophobicContact CG-CG 4.46Å; M445-L449 WeakPolarHBondContact O-CB 3.42Å; M445-L449 VanDerWaalsContact O-CG 3.27Å; M445-L449 WeakPolarHBondContact O-CG 3.48Å; M445-L449 PolarHBondContact O-N 2.89Å; Q446-L449 PolarHBondContact O-N 3.47Å; L449-S452 PolarHBondContact O-N 3.46Å; L449-S453 WeakPolarHBondContact O-CB 3.33Å; L449-S453 PolarHBondContact O-N 2.93Å; L449-S453 PolarHBondContact O-OG 2.86Å; L449-F473 HydrophobicContact CB-CD2 3.69Å; L449-F473 HydrophobicContact CB-CE2 4.12Å |
| 450 | F | 84.8 | Confident | 77.6 | Confident | 104 Ų | 104 | 81 Ų | 81 | 46% | 0.456 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.4 | 177.1 | -98.5 | 0 | 0 | 0 | 111.2 | Q446 F447 S452 S453 N454 F473 | Q446-F450 VanDerWaalsContact O-CB 3.26Å; Q446-F450 WeakPolarHBondContact O-CB 3.45Å; Q446-F450 PolarHBondContact O-N 3.24Å; F447-F450 PolarHBondContact O-N 2.87Å; F450-S452 VanDerWaalsContact C-N 3.33Å; F450-S452 PolarHBondContact O-N 2.88Å; F450-S453 PolarHBondContact O-N 2.91Å; F450-S453 PolarHBondContact O-OG 3.13Å; F450-N454 WeakPolarHBondContact CE1-ND2 3.3Å; F450-N454 VanDerWaalsContact CE2-ND2 3.28Å; F450-N454 WeakPolarHBondContact CE2-ND2 3.41Å; F450-N454 VanDerWaalsContact CZ-ND2 3.26Å; F450-N454 WeakPolarHBondContact CZ-ND2 3.38Å; F450-N454 PolarHBondContact O-N 3.04Å; F450-N454 VanDerWaalsContact O-N 3.14Å; F450-N454 PolarHBondContact O-ND2 3.13Å; F450-F473 HydrophobicContact CB-CE2 3.89Å; F450-F473 HydrophobicContact CB-CZ 4Å; F450-F473 HydrophobicContact CD2-CE1 4.42Å; F450-F473 AromaticContact CD2-CZ 3.94Å; F450-F473 HydrophobicContact CD2-CZ 3.94Å; F450-F473 HydrophobicContact CG-CZ 4.48Å |
| 451 | F | 84.8 | Confident | 77.3 | Confident | 127 Ų | 127 | 83.5 Ų | 83.5 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 175.7 | -173.9 | -98.1 | 0 | 0 | 0 | 111.2 | F447 Y448 S453 N454 V455 | F447-F451 PolarHBondContact O-N 3.46Å; Y448-F451 PolarHBondContact O-N 3.32Å; F451-S453 VanDerWaalsContact C-N 3.35Å; F451-S453 PolarHBondContact O-N 3.33Å; F451-N454 PolarHBondContact O-N 3.08Å; F451-V455 HydrophobicContact CD1-CG2 4.1Å; F451-V455 HydrophobicContact CD2-CG2 4.31Å; F451-V455 HydrophobicContact CE1-CG2 3.73Å; F451-V455 HydrophobicContact CE2-CG2 3.96Å; F451-V455 HydrophobicContact CG-CG2 4.39Å; F451-V455 HydrophobicContact CZ-CG2 3.66Å; F451-V455 WeakPolarHBondContact O-CB 3.36Å; F451-V455 WeakPolarHBondContact O-CG2 3.36Å; F451-V455 PolarHBondContact O-N 3.31Å |
| 452 | S | 79.4 | Confident | 76.5 | Confident | 18 Ų | 18 | 90.5 Ų | 90.5 | 13% | 0.126 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 113.2 | Y448 L449 F450 N456 | Y448-S452 WeakPolarHBondContact O-CB 3.31Å; Y448-S452 PolarHBondContact O-N 2.87Å; L449-S452 PolarHBondContact O-N 3.46Å; F450-S452 VanDerWaalsContact C-N 3.33Å; F450-S452 PolarHBondContact O-N 2.88Å; S452-N456 VanDerWaalsContact O-CB 3.29Å; S452-N456 WeakPolarHBondContact O-CB 3.19Å; S452-N456 PolarHBondContact O-N 3.35Å; S452-N456 PolarHBondContact O-ND2 3.21Å; S452-N456 PolarHBondContact OG-ND2 3.29Å |
| 453 | S | 78.1 | Confident | 76.1 | Confident | 16 Ų | 16 | 92.7 Ų | 92.7 | 11% | 0.112 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -71.4 | -30.2 | 178.3 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | L449 F450 F451 N470 | L449-S453 WeakPolarHBondContact O-CB 3.33Å; L449-S453 PolarHBondContact O-N 2.93Å; L449-S453 PolarHBondContact O-OG 2.86Å; F450-S453 PolarHBondContact O-N 2.91Å; F450-S453 PolarHBondContact O-OG 3.13Å; F451-S453 VanDerWaalsContact C-N 3.35Å; F451-S453 PolarHBondContact O-N 3.33Å; S453-N470 WeakPolarHBondContact CB-OD1 3.34Å; S453-N470 PolarHBondContact O-OD1 3.47Å |
| 454 | N | 80.1 | Confident | 75.6 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -81.7 | -30.9 | 177.6 | -76.5 | -83.8 | 0 | 0 | 0 | 112.8 | F450 F451 | F450-N454 WeakPolarHBondContact CE1-ND2 3.3Å; F450-N454 VanDerWaalsContact CE2-ND2 3.28Å; F450-N454 WeakPolarHBondContact CE2-ND2 3.41Å; F450-N454 VanDerWaalsContact CZ-ND2 3.26Å; F450-N454 WeakPolarHBondContact CZ-ND2 3.38Å; F450-N454 PolarHBondContact O-N 3.04Å; F450-N454 VanDerWaalsContact O-N 3.14Å; F450-N454 PolarHBondContact O-ND2 3.13Å; F451-N454 PolarHBondContact O-N 3.08Å |
| 455 | V | 80.1 | Confident | 75.1 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -86.8 | -32.8 | -177.8 | 174.7 | 0 | 0 | 0 | 0 | 112.5 | F451 | F451-V455 HydrophobicContact CD1-CG2 4.1Å; F451-V455 HydrophobicContact CD2-CG2 4.31Å; F451-V455 HydrophobicContact CE1-CG2 3.73Å; F451-V455 HydrophobicContact CE2-CG2 3.96Å; F451-V455 HydrophobicContact CG-CG2 4.39Å; F451-V455 HydrophobicContact CZ-CG2 3.66Å; F451-V455 WeakPolarHBondContact O-CB 3.36Å; F451-V455 WeakPolarHBondContact O-CG2 3.36Å; F451-V455 PolarHBondContact O-N 3.31Å |
| 456 | N | 71.6 | Confident | 74.9 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 28% | 0.283 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -86.2 | 150.1 | 178.7 | -71.6 | -35.5 | 0 | 0 | 0 | 111.8 | S452 G458 W460 | S452-N456 VanDerWaalsContact O-CB 3.29Å; S452-N456 WeakPolarHBondContact O-CB 3.19Å; S452-N456 PolarHBondContact O-N 3.35Å; S452-N456 PolarHBondContact O-ND2 3.21Å; S452-N456 PolarHBondContact OG-ND2 3.29Å; N456-G458 PolarHBondContact O-N 3.16Å; N456-W460 VanDerWaalsContact ND2-CZ2 3.32Å; N456-W460 WeakPolarHBondContact ND2-CZ2 3.48Å; N456-W460 PolarHBondContact ND2-NE1 3.44Å; N456-W460 VanDerWaalsContact ND2-NE1 3.16Å |
| 457 | E | 63.2 | Low | 74.8 | Confident | 174 Ų | 174 | 98.6 Ų | 98.6 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | trans | -70.6 | 52.2 | 175.3 | -65.4 | -178.6 | 167.6 | 0 | 0 | 112.5 | H459 | E457-H459 PolarHBondContact O-CE1 2.98Å; E457-H459 PolarHBondContact O-N 3.5Å; E457-H459 PolarHBondContact O-ND1 3.42Å | ||
| 458 | G | 60.8 | Low | 74.8 | Confident | 18 Ų | 18 | 93.4 Ų | 93.4 | 19% | 0.186 | 46% | 0.464 | C | S | . | . | S | Bend | trans | 62.7 | -22.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | N456 V469 | N456-G458 PolarHBondContact O-N 3.16Å; G458-V469 PolarHBondContact O-N 3.29Å |
| 459 | H | 65.1 | Low | 74.8 | Confident | 91 Ų | 91 | 86.8 Ų | 86.8 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 139.3 | -176.3 | 60.6 | -66.4 | 0 | 0 | 0 | 111.2 | E457 H461 V467 | E457-H459 PolarHBondContact O-CE1 2.98Å; E457-H459 PolarHBondContact O-N 3.5Å; E457-H459 PolarHBondContact O-ND1 3.42Å; H459-H461 AromaticContact CD2-NE2 3.47Å; H459-H461 PolarHBondContact CD2-NE2 2.97Å; H459-H461 AromaticContact NE2-NE2 3.65Å; H459-V467 CarbonylContact C-O 3.47Å; H459-V467 VanDerWaalsContact CA-O 3.32Å; H459-V467 WeakPolarHBondContact CA-O 3.37Å |
| 460 | W | 69.3 | Low | 75 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.1 | 172.4 | -75 | 1.2 | 0 | 0 | 0 | 109.3 | N456 W462 V467 V469 | N456-W460 VanDerWaalsContact ND2-CZ2 3.32Å; N456-W460 WeakPolarHBondContact ND2-CZ2 3.48Å; N456-W460 PolarHBondContact ND2-NE1 3.44Å; N456-W460 VanDerWaalsContact ND2-NE1 3.16Å; W460-W462 PolarHBondContact O-N 3.24Å; W460-V467 HydrophobicContact CB-CB 4.45Å; W460-V467 PolarHBondContact N-O 3.37Å; W460-V467 PolarHBondContact O-N 3.16Å; W460-V469 HydrophobicContact CD2-CG2 4.03Å; W460-V469 HydrophobicContact CG-CG2 3.95Å |
| 461 | H | 66.4 | Low | 75.3 | Confident | 133 Ų | 133 | 82.7 Ų | 82.7 | 62% | 0.616 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 107.1 | 171.2 | -70.2 | -84.1 | 0 | 0 | 0 | 109.2 | H459 T466 | H459-H461 AromaticContact CD2-NE2 3.47Å; H459-H461 PolarHBondContact CD2-NE2 2.97Å; H459-H461 AromaticContact NE2-NE2 3.65Å; H461-T466 VanDerWaalsContact CE1-CG2 3.48Å; H461-T466 WeakPolarHBondContact CE1-CG2 3.24Å |
| 462 | W | 62.5 | Low | 75.5 | Confident | 206 Ų | 206 | 77.2 Ų | 77.2 | 78% | 0.78 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 90.6 | 170.4 | -161.6 | -38.2 | 0 | 0 | 0 | 108.8 | W460 D464 H465 V467 | W460-W462 PolarHBondContact O-N 3.24Å; W462-D464 PolarHBondContact O-N 3.28Å; W462-H465 PolarHBondContact N-O 2.72Å; W462-H465 PolarHBondContact O-N 3.42Å; W462-V467 HydrophobicContact CB-CG2 4.18Å |
| 463 | G | 71.6 | Confident | 76 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 67% | 0.67 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -125.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | H465 | G463-H465 VanDerWaalsContact C-N 3.33Š|
| 464 | D | 70.1 | Confident | 76.6 | Confident | 165 Ų | 165 | 81.4 Ų | 81.4 | 88% | 0.882 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.2 | -179.1 | -62.5 | -30.1 | 0 | 0 | 0 | 113.9 | W462 | W462-D464 PolarHBondContact O-N 3.28Š|
| 465 | H | 70.7 | Confident | 77.3 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.5 | -178.6 | -64.1 | -47.4 | 0 | 0 | 0 | 112.1 | W462 G463 | W462-H465 PolarHBondContact N-O 2.72Å; W462-H465 PolarHBondContact O-N 3.42Å; G463-H465 VanDerWaalsContact C-N 3.33Å |
| 466 | T | 78.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 72 Ų | 72 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.7 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | H461 | H461-T466 VanDerWaalsContact CE1-CG2 3.48Å; H461-T466 WeakPolarHBondContact CE1-CG2 3.24Å |
| 467 | V | 81.6 | Confident | 78.8 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.4 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | G33 L34 H459 W460 W462 V469 | G33-V467 WeakPolarHBondContact O-CA 3.44Å; L34-V467 HydrophobicContact CD2-CG2 4.01Å; H459-V467 CarbonylContact C-O 3.47Å; H459-V467 VanDerWaalsContact CA-O 3.32Å; H459-V467 WeakPolarHBondContact CA-O 3.37Å; W460-V467 HydrophobicContact CB-CB 4.45Å; W460-V467 PolarHBondContact N-O 3.37Å; W460-V467 PolarHBondContact O-N 3.16Å; W462-V467 HydrophobicContact CB-CG2 4.18Å; V467-V469 PolarHBondContact O-N 3.35Å |
| 468 | Q | 85.3 | Confident | 80.2 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 103.6 | -177.2 | -63.1 | -166.3 | 6.7 | 0 | 0 | 112.1 | G33 A36 P37 N470 A472 | G33-Q468 PolarHBondContact O-N 2.93Å; A36-Q468 PolarHBondContact O-OE1 3.22Å; P37-Q468 PolarHBondContact O-OE1 3.16Å; Q468-N470 VanDerWaalsContact C-N 3.35Å; Q468-N470 PolarHBondContact O-N 3.47Å; Q468-A472 WeakPolarHBondContact O-CB 3.26Å; Q468-A472 PolarHBondContact O-N 2.99Å |
| 469 | V | 85.3 | Confident | 81.8 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -36.4 | -174.4 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | G458 W460 V467 A472 F473 | G458-V469 PolarHBondContact O-N 3.29Å; W460-V469 HydrophobicContact CD2-CG2 4.03Å; W460-V469 HydrophobicContact CG-CG2 3.95Å; V467-V469 PolarHBondContact O-N 3.35Å; V469-A472 PolarHBondContact O-N 3.25Å; V469-F473 WeakPolarHBondContact O-CB 3.31Å; V469-F473 PolarHBondContact O-N 2.86Å |
| 470 | N | 86.8 | Confident | 83.1 | Confident | 52 Ų | 52 | 58.4 Ų | 58.4 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | -179.2 | -70.1 | -3.4 | 0 | 0 | 0 | 112 | P39 S453 Q468 F473 F474 | P39-N470 HydrophobicContact CG-CB 3.99Å; S453-N470 WeakPolarHBondContact CB-OD1 3.34Å; S453-N470 PolarHBondContact O-OD1 3.47Å; Q468-N470 VanDerWaalsContact C-N 3.35Å; Q468-N470 PolarHBondContact O-N 3.47Å; N470-F473 WeakPolarHBondContact O-CB 3.3Å; N470-F473 PolarHBondContact O-N 3.26Å; N470-F474 WeakPolarHBondContact O-CD2 3.23Å; N470-F474 PolarHBondContact O-N 2.88Å |
| 471 | S | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 177.3 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | G32 P37 P39 F473 F474 T475 | G32-S471 WeakPolarHBondContact O-CB 3.43Å; P37-S471 PolarHBondContact O-OG 3.47Å; P39-S471 WeakPolarHBondContact CD-OG 3.48Å; P39-S471 WeakPolarHBondContact CG-OG 3.4Å; S471-F473 VanDerWaalsContact C-N 3.27Å; S471-F473 PolarHBondContact O-N 2.83Å; S471-F474 PolarHBondContact O-N 3.27Å; S471-T475 PolarHBondContact O-N 3.2Å; S471-T475 PolarHBondContact O-OG1 2.86Å |
| 472 | A | 90.3 | Very high | 85.5 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -37.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F29 Q468 V469 T475 G476 | F29-A472 HydrophobicContact CD1-CB 4.45Å; F29-A472 VanDerWaalsContact CD1-O 3.26Å; F29-A472 WeakPolarHBondContact CD1-O 3.5Å; Q468-A472 WeakPolarHBondContact O-CB 3.26Å; Q468-A472 PolarHBondContact O-N 2.99Å; V469-A472 PolarHBondContact O-N 3.25Å; A472-T475 PolarHBondContact O-OG1 3.14Å; A472-G476 WeakPolarHBondContact O-CA 3.42Å; A472-G476 PolarHBondContact O-N 3.28Å |
| 473 | F | 90.4 | Very high | 87 | Confident | 25 Ų | 25 | 38.8 Ų | 38.8 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -53.4 | 175 | 171.4 | -103.7 | 0 | 0 | 0 | 111.1 | L449 F450 V469 N470 S471 G476 I477 | L449-F473 HydrophobicContact CB-CD2 3.69Å; L449-F473 HydrophobicContact CB-CE2 4.12Å; F450-F473 HydrophobicContact CB-CE2 3.89Å; F450-F473 HydrophobicContact CB-CZ 4Å; F450-F473 HydrophobicContact CD2-CE1 4.42Å; F450-F473 AromaticContact CD2-CZ 3.94Å; F450-F473 HydrophobicContact CD2-CZ 3.94Å; F450-F473 HydrophobicContact CG-CZ 4.48Å; V469-F473 WeakPolarHBondContact O-CB 3.31Å; V469-F473 PolarHBondContact O-N 2.86Å; N470-F473 WeakPolarHBondContact O-CB 3.3Å; N470-F473 PolarHBondContact O-N 3.26Å; S471-F473 VanDerWaalsContact C-N 3.27Å; S471-F473 PolarHBondContact O-N 2.83Å; F473-G476 PolarHBondContact O-N 3.08Å; F473-I477 HydrophobicContact CD2-CD1 4.04Å; F473-I477 HydrophobicContact CD2-CG1 3.73Å; F473-I477 HydrophobicContact CE1-CG1 4.4Å; F473-I477 HydrophobicContact CE2-CD1 3.44Å; F473-I477 VanDerWaalsContact CE2-CD1 3.44Å; F473-I477 HydrophobicContact CE2-CG1 3.57Å; F473-I477 HydrophobicContact CG-CG1 4.27Å; F473-I477 HydrophobicContact CZ-CD1 3.87Å; F473-I477 HydrophobicContact CZ-CG1 3.92Å; F473-I477 WeakPolarHBondContact O-CB 3.05Å; F473-I477 WeakPolarHBondContact O-CG1 3.48Å; F473-I477 PolarHBondContact O-N 3.32Å |
| 474 | F | 90.7 | Very high | 87.9 | Confident | 97 Ų | 97 | 36.2 Ų | 36.2 | 43% | 0.425 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.5 | -49.6 | -178.7 | -74.6 | -67.5 | 0 | 0 | 0 | 112.8 | P39 F230 W234 N470 S471 Y478 | P39-F474 HydrophobicContact CB-CD2 3.98Å; P39-F474 HydrophobicContact CB-CE2 3.89Å; P39-F474 HydrophobicContact CG-CD2 3.61Å; P39-F474 HydrophobicContact CG-CE2 3.72Å; F230-F474 HydrophobicContact CE2-CB 4.29Å; F230-F474 HydrophobicContact CZ-CB 3.89Å; F230-F474 HydrophobicContact CZ-CD2 4.3Å; F230-F474 HydrophobicContact CZ-CG 4.29Å; W234-F474 HydrophobicContact CZ3-CB 4.38Å; N470-F474 WeakPolarHBondContact O-CD2 3.23Å; N470-F474 PolarHBondContact O-N 2.88Å; S471-F474 PolarHBondContact O-N 3.27Å; F474-Y478 VanDerWaalsContact O-CB 3.23Å; F474-Y478 WeakPolarHBondContact O-CB 3.34Å; F474-Y478 PolarHBondContact O-N 3.23Å; F474-Y478 VanDerWaalsContact O-N 3.07Å |
| 475 | T | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 179.4 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | A28 G32 M237 S471 A472 Y478 G479 | A28-T475 WeakPolarHBondContact O-CB 3.47Å; A28-T475 PolarHBondContact O-OG1 3.31Å; G32-T475 WeakPolarHBondContact CA-OG1 3.21Å; G32-T475 PolarHBondContact N-OG1 2.88Å; M237-T475 VanDerWaalsContact CE-O 3.24Å; M237-T475 WeakPolarHBondContact CE-O 3.44Å; M237-T475 HydrophobicContact SD-CG2 4.18Å; S471-T475 PolarHBondContact O-N 3.2Å; S471-T475 PolarHBondContact O-OG1 2.86Å; A472-T475 PolarHBondContact O-OG1 3.14Å; T475-Y478 PolarHBondContact O-N 2.9Å; T475-G479 PolarHBondContact O-N 3.31Å |
| 476 | G | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q25 A472 F473 Y478 G479 M480 | Q25-G476 PolarHBondContact NE2-O 2.8Å; A472-G476 WeakPolarHBondContact O-CA 3.42Å; A472-G476 PolarHBondContact O-N 3.28Å; F473-G476 PolarHBondContact O-N 3.08Å; G476-Y478 VanDerWaalsContact C-N 3.3Å; G476-Y478 PolarHBondContact O-N 2.98Å; G476-G479 PolarHBondContact O-N 3.18Å; G476-M480 WeakPolarHBondContact O-CB 3.11Å; G476-M480 PolarHBondContact O-N 2.95Å |
| 477 | I | 91.6 | Very high | 90.8 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 176.4 | -64.3 | -95.5 | 0 | 0 | 0 | 110 | Q446 F473 G479 M480 W481 | Q446-I477 HydrophobicContact CB-CD1 3.62Å; Q446-I477 VanDerWaalsContact CD-CD1 3.46Å; Q446-I477 HydrophobicContact CG-CD1 3.33Å; F473-I477 HydrophobicContact CD2-CD1 4.04Å; F473-I477 HydrophobicContact CD2-CG1 3.73Å; F473-I477 HydrophobicContact CE1-CG1 4.4Å; F473-I477 HydrophobicContact CE2-CD1 3.44Å; F473-I477 VanDerWaalsContact CE2-CD1 3.44Å; F473-I477 HydrophobicContact CE2-CG1 3.57Å; F473-I477 HydrophobicContact CG-CG1 4.27Å; F473-I477 HydrophobicContact CZ-CD1 3.87Å; F473-I477 HydrophobicContact CZ-CG1 3.92Å; F473-I477 WeakPolarHBondContact O-CB 3.05Å; F473-I477 WeakPolarHBondContact O-CG1 3.48Å; F473-I477 PolarHBondContact O-N 3.32Å; I477-G479 PolarHBondContact O-N 3.19Å; I477-M480 HydrophobicContact CD1-CE 4.4Å; I477-M480 WeakPolarHBondContact O-CB 3.14Å; I477-M480 PolarHBondContact O-N 3.41Å; I477-W481 PolarHBondContact O-N 3.45Å |
| 478 | Y | 93.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 6% | 0.063 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 179.9 | -176.9 | -120.5 | 0 | 0 | 0 | 112.3 | W234 M237 K238 L241 M277 I280 N281 F474 T475 G476 M480 N482 | W234-Y478 AromaticContact CH2-CD1 3.95Å; W234-Y478 HydrophobicContact CH2-CD1 3.95Å; W234-Y478 HydrophobicContact CH2-CD2 4.01Å; W234-Y478 AromaticContact CH2-CG 3.6Å; W234-Y478 HydrophobicContact CH2-CG 3.6Å; W234-Y478 HydrophobicContact CZ2-CD2 4.5Å; W234-Y478 HydrophobicContact CZ2-CG 4.41Å; W234-Y478 AromaticContact CZ3-CD1 3.92Å; W234-Y478 HydrophobicContact CZ3-CD1 3.92Å; W234-Y478 AromaticContact CZ3-CG 3.91Å; W234-Y478 HydrophobicContact CZ3-CG 3.91Å; M237-Y478 HydrophobicContact CE-CD1 3.77Å; M237-Y478 HydrophobicContact CG-CD1 3.99Å; M237-Y478 HydrophobicContact CG-CE1 4.04Å; M237-Y478 HydrophobicContact SD-CD1 3.8Å; M237-Y478 HydrophobicContact SD-CE1 4.44Å; K238-Y478 HydrophobicContact CG-CE1 3.97Å; K238-Y478 WeakPolarHBondContact CG-OH 3.36Å; L241-Y478 HydrophobicContact CD1-CD1 4.11Å; L241-Y478 HydrophobicContact CD1-CE1 3.73Å; M277-Y478 HydrophobicContact CE-CE2 4.23Å; I280-Y478 HydrophobicContact CG2-CE2 3.87Å; N281-Y478 WeakPolarHBondContact CA-OH 3.4Å; N281-Y478 WeakPolarHBondContact OD1-CE2 3.29Å; N281-Y478 VanDerWaalsContact OD1-CZ 3.3Å; N281-Y478 PolarHBondContact OD1-OH 3.47Å; F474-Y478 VanDerWaalsContact O-CB 3.23Å; F474-Y478 WeakPolarHBondContact O-CB 3.34Å; F474-Y478 PolarHBondContact O-N 3.23Å; F474-Y478 VanDerWaalsContact O-N 3.07Å; T475-Y478 PolarHBondContact O-N 2.9Å; G476-Y478 VanDerWaalsContact C-N 3.3Å; G476-Y478 PolarHBondContact O-N 2.98Å; Y478-M480 VanDerWaalsContact C-N 3.35Å; Y478-N482 WeakPolarHBondContact CE2-ND2 3.5Å; Y478-N482 WeakPolarHBondContact O-CB 2.96Å; Y478-N482 PolarHBondContact O-N 2.95Å; Y478-N482 PolarHBondContact O-ND2 3.46Å |
| 479 | G | 93.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T475 G476 I477 N482 L483 | T475-G479 PolarHBondContact O-N 3.31Å; G476-G479 PolarHBondContact O-N 3.18Å; I477-G479 PolarHBondContact O-N 3.19Å; G479-N482 WeakPolarHBondContact O-CB 3.43Å; G479-N482 PolarHBondContact O-N 2.86Å; G479-L483 WeakPolarHBondContact O-CB 3.46Å; G479-L483 VanDerWaalsContact O-CG 3.26Å; G479-L483 WeakPolarHBondContact O-CG 3.4Å; G479-L483 PolarHBondContact O-N 3.39Å |
| 480 | M | 91.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 5% | 0.054 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | -178.4 | -172.4 | 175.7 | 63.4 | 0 | 0 | 111.6 | C442 M445 Q446 G476 I477 Y478 N482 L483 Y484 | C442-M480 HydrophobicContact CB-CE 4.02Å; C442-M480 HydrophobicContact CB-CG 4.35Å; C442-M480 HydrophobicContact CB-SD 3.65Å; M445-M480 HydrophobicContact SD-SD 4.37Å; Q446-M480 HydrophobicContact CB-CE 4.19Å; G476-M480 WeakPolarHBondContact O-CB 3.11Å; G476-M480 PolarHBondContact O-N 2.95Å; I477-M480 HydrophobicContact CD1-CE 4.4Å; I477-M480 WeakPolarHBondContact O-CB 3.14Å; I477-M480 PolarHBondContact O-N 3.41Å; Y478-M480 VanDerWaalsContact C-N 3.35Å; M480-N482 VanDerWaalsContact C-N 3.33Å; M480-N482 PolarHBondContact O-N 3Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-Y484 VanDerWaalsContact O-CB 3.22Å; M480-Y484 WeakPolarHBondContact O-CB 3.49Å; M480-Y484 PolarHBondContact O-N 3.49Å |
| 481 | W | 92.7 | Very high | 92 | Very high | 17 Ų | 17 | 18.6 Ų | 18.6 | 6% | 0.064 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.5 | -34.6 | 179.2 | -70.2 | 116.1 | 0 | 0 | 0 | 112.4 | M277 F307 L311 W315 I477 Y484 V485 | M277-W481 HydrophobicContact CE-CB 4.28Å; F307-W481 HydrophobicContact CE1-CB 4.44Å; F307-W481 HydrophobicContact CE1-CG 4.45Å; F307-W481 HydrophobicContact CZ-CB 4.21Å; L311-W481 HydrophobicContact CD1-CE3 4.46Å; L311-W481 HydrophobicContact CD1-CZ3 4.06Å; L311-W481 HydrophobicContact CD2-CD2 4.46Å; L311-W481 HydrophobicContact CD2-CE3 3.9Å; L311-W481 HydrophobicContact CD2-CH2 3.81Å; L311-W481 HydrophobicContact CD2-CZ2 4.35Å; L311-W481 HydrophobicContact CD2-CZ3 3.56Å; L311-W481 HydrophobicContact CG-CZ3 4.41Å; W315-W481 AromaticContact CH2-CH2 3.8Å; W315-W481 HydrophobicContact CH2-CH2 3.8Å; W315-W481 HydrophobicContact CH2-CZ3 4.43Å; W315-W481 AromaticContact CZ2-CH2 3.66Å; W315-W481 HydrophobicContact CZ2-CH2 3.66Å; W315-W481 AromaticContact CZ2-CZ3 3.89Å; W315-W481 HydrophobicContact CZ2-CZ3 3.89Å; I477-W481 PolarHBondContact O-N 3.45Å; W481-Y484 AromaticContact CE3-CD1 3.81Å; W481-Y484 HydrophobicContact CE3-CD1 3.81Å; W481-Y484 HydrophobicContact CE3-CE1 4.38Å; W481-Y484 HydrophobicContact CE3-CG 4.29Å; W481-Y484 AromaticContact CZ3-CD1 3.92Å; W481-Y484 HydrophobicContact CZ3-CD1 3.92Å; W481-Y484 HydrophobicContact CZ3-CE1 4.08Å; W481-Y484 HydrophobicContact CZ3-CG 4.41Å; W481-Y484 PolarHBondContact O-N 3.46Å; W481-V485 WeakPolarHBondContact O-CG2 3.23Å; W481-V485 PolarHBondContact O-N 3.39Å |
| 482 | N | 94.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 172.5 | -90.5 | -73.6 | 0 | 0 | 0 | 112.2 | L241 I245 M277 N281 Y478 G479 M480 Y484 V485 F486 | L241-N482 HydrophobicContact CD1-CB 4.15Å; L241-N482 HydrophobicContact CD2-CB 4.49Å; I245-N482 WeakPolarHBondContact CG1-OD1 3.45Å; M277-N482 HydrophobicContact CE-CB 4.02Å; M277-N482 WeakPolarHBondContact CE-ND2 3.45Å; M277-N482 VanDerWaalsContact CE-OD1 3.28Å; M277-N482 WeakPolarHBondContact CE-OD1 3.39Å; N281-N482 PolarHBondContact ND2-OD1 2.56Å; N281-N482 PolarHBondContact OD1-OD1 3Å; Y478-N482 WeakPolarHBondContact CE2-ND2 3.5Å; Y478-N482 WeakPolarHBondContact O-CB 2.96Å; Y478-N482 PolarHBondContact O-N 2.95Å; Y478-N482 PolarHBondContact O-ND2 3.46Å; G479-N482 WeakPolarHBondContact O-CB 3.43Å; G479-N482 PolarHBondContact O-N 2.86Å; M480-N482 VanDerWaalsContact C-N 3.33Å; M480-N482 PolarHBondContact O-N 3Å; N482-Y484 VanDerWaalsContact C-N 3.3Å; N482-Y484 PolarHBondContact O-N 3.32Å; N482-V485 PolarHBondContact O-N 2.94Å; N482-F486 WeakPolarHBondContact O-CB 3.36Å; N482-F486 PolarHBondContact O-N 3.32Å |
| 483 | L | 92.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 19 Ų | 19 | 15% | 0.152 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -35.4 | 179.2 | -69 | 170.5 | 0 | 0 | 0 | 111.7 | L21 F24 Q25 G479 M480 A487 | L21-L483 HydrophobicContact CD2-CB 4.36Å; L21-L483 HydrophobicContact CD2-CD2 3.8Å; F24-L483 HydrophobicContact CB-CD1 3.77Å; F24-L483 HydrophobicContact CB-CD2 3.82Å; F24-L483 HydrophobicContact CB-CG 4.45Å; F24-L483 HydrophobicContact CG-CD2 4.42Å; Q25-L483 HydrophobicContact CB-CD1 3.97Å; G479-L483 WeakPolarHBondContact O-CB 3.46Å; G479-L483 VanDerWaalsContact O-CG 3.26Å; G479-L483 WeakPolarHBondContact O-CG 3.4Å; G479-L483 PolarHBondContact O-N 3.39Å; M480-L483 PolarHBondContact O-N 2.86Å; L483-A487 VanDerWaalsContact O-CB 3.24Å; L483-A487 WeakPolarHBondContact O-CB 3.4Å; L483-A487 PolarHBondContact O-N 3.22Å |
| 484 | Y | 91.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 4% | 0.043 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.1 | -50.6 | 174.4 | 174.6 | -103.9 | 0 | 0 | 0 | 112 | L311 F314 W315 I438 P439 M480 W481 N482 F486 A487 I488 | L311-Y484 HydrophobicContact CD1-CD1 4.47Å; L311-Y484 HydrophobicContact CD1-CE1 3.77Å; F314-Y484 WeakPolarHBondContact CE1-OH 3.19Å; W315-Y484 AromaticContact NE1-CZ 3.87Å; W315-Y484 PolarHBondContact NE1-OH 3.3Å; I438-Y484 HydrophobicContact CG2-CD2 4.25Å; I438-Y484 HydrophobicContact CG2-CE2 4.42Å; P439-Y484 HydrophobicContact CB-CE2 4.38Å; P439-Y484 HydrophobicContact CG-CE2 3.82Å; M480-Y484 VanDerWaalsContact O-CB 3.22Å; M480-Y484 WeakPolarHBondContact O-CB 3.49Å; M480-Y484 PolarHBondContact O-N 3.49Å; W481-Y484 AromaticContact CE3-CD1 3.81Å; W481-Y484 HydrophobicContact CE3-CD1 3.81Å; W481-Y484 HydrophobicContact CE3-CE1 4.38Å; W481-Y484 HydrophobicContact CE3-CG 4.29Å; W481-Y484 AromaticContact CZ3-CD1 3.92Å; W481-Y484 HydrophobicContact CZ3-CD1 3.92Å; W481-Y484 HydrophobicContact CZ3-CE1 4.08Å; W481-Y484 HydrophobicContact CZ3-CG 4.41Å; W481-Y484 PolarHBondContact O-N 3.46Å; N482-Y484 VanDerWaalsContact C-N 3.3Å; N482-Y484 PolarHBondContact O-N 3.32Å; Y484-F486 PolarHBondContact O-N 3.16Å; Y484-A487 PolarHBondContact O-N 3.01Å; Y484-I488 HydrophobicContact CD1-CD1 3.94Å; Y484-I488 HydrophobicContact CD2-CD1 4.23Å; Y484-I488 HydrophobicContact CE1-CD1 3.34Å; Y484-I488 HydrophobicContact CE2-CD1 3.66Å; Y484-I488 HydrophobicContact CE2-CG1 4.36Å; Y484-I488 HydrophobicContact CG-CD1 4.36Å; Y484-I488 WeakPolarHBondContact O-CG1 3.47Å; Y484-I488 PolarHBondContact O-N 3.11Å; Y484-I488 WeakPolarHBondContact OH-CD1 3.16Å |
| 485 | V | 93.4 | Very high | 91 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.6 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | L273 M277 F307 W481 N482 A487 I488 M489 | L273-V485 HydrophobicContact CD2-CG2 4.17Å; L273-V485 HydrophobicContact CG-CG2 4.08Å; M277-V485 HydrophobicContact CB-CB 4.43Å; M277-V485 HydrophobicContact CB-CG1 3.92Å; M277-V485 HydrophobicContact CB-CG2 4.26Å; M277-V485 HydrophobicContact CG-CB 4.18Å; M277-V485 HydrophobicContact CG-CG1 4.11Å; M277-V485 HydrophobicContact CG-CG2 4.14Å; M277-V485 HydrophobicContact SD-CG2 4.25Å; F307-V485 HydrophobicContact CE2-CG2 4.07Å; F307-V485 HydrophobicContact CZ-CG2 4.42Å; W481-V485 WeakPolarHBondContact O-CG2 3.23Å; W481-V485 PolarHBondContact O-N 3.39Å; N482-V485 PolarHBondContact O-N 2.94Å; V485-A487 PolarHBondContact O-N 3.17Å; V485-I488 PolarHBondContact O-N 3.39Å; V485-M489 HydrophobicContact CG1-CE 3.59Å; V485-M489 PolarHBondContact O-N 3.17Å |
| 486 | F | 94.3 | Very high | 89.7 | Confident | 56 Ų | 56 | 21.6 Ų | 21.6 | 25% | 0.246 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.2 | -49 | 173 | -178.3 | -84.4 | 0 | 0 | 0 | 111.6 | L21 I245 I248 N482 Y484 I488 M489 F490 | L21-F486 HydrophobicContact CD2-CD1 4.28Å; I245-F486 HydrophobicContact CD1-CB 3.94Å; I245-F486 HydrophobicContact CD1-CD2 4.39Å; I248-F486 HydrophobicContact CB-CD2 4.01Å; I248-F486 HydrophobicContact CB-CE2 3.86Å; I248-F486 HydrophobicContact CD1-CE2 4.28Å; I248-F486 HydrophobicContact CD1-CZ 4.38Å; I248-F486 HydrophobicContact CG1-CD2 4.19Å; I248-F486 HydrophobicContact CG1-CE2 4.04Å; I248-F486 HydrophobicContact CG2-CD2 3.71Å; I248-F486 HydrophobicContact CG2-CE2 4.08Å; N482-F486 WeakPolarHBondContact O-CB 3.36Å; N482-F486 PolarHBondContact O-N 3.32Å; Y484-F486 PolarHBondContact O-N 3.16Å; F486-I488 PolarHBondContact O-N 3.33Å; F486-M489 PolarHBondContact O-N 3.46Å; F486-F490 HydrophobicContact CE1-CB 4.5Å; F486-F490 WeakPolarHBondContact O-CB 3.49Å; F486-F490 PolarHBondContact O-N 3.3Å |
| 487 | A | 91.3 | Very high | 88 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 12% | 0.116 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L21 L483 Y484 V485 F490 L491 | L21-A487 HydrophobicContact CD1-CB 3.77Å; L483-A487 VanDerWaalsContact O-CB 3.24Å; L483-A487 WeakPolarHBondContact O-CB 3.4Å; L483-A487 PolarHBondContact O-N 3.22Å; Y484-A487 PolarHBondContact O-N 3.01Å; V485-A487 PolarHBondContact O-N 3.17Å; A487-F490 PolarHBondContact O-N 3.41Å; A487-L491 WeakPolarHBondContact O-CB 3.24Å; A487-L491 WeakPolarHBondContact O-CG 3.33Å; A487-L491 PolarHBondContact O-N 3.37Å |
| 488 | I | 90.8 | Very high | 86 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -51.1 | 177.1 | -72 | 172.5 | 0 | 0 | 0 | 110.7 | I270 F314 Y484 V485 F486 F490 L491 Y492 | I270-I488 HydrophobicContact CB-CG2 4.33Å; I270-I488 HydrophobicContact CD1-CG2 3.7Å; I270-I488 HydrophobicContact CG1-CG2 3.68Å; I270-I488 HydrophobicContact CG2-CG2 3.74Å; F314-I488 HydrophobicContact CE1-CD1 3.66Å; F314-I488 HydrophobicContact CE2-CG2 4.33Å; F314-I488 HydrophobicContact CZ-CD1 3.68Å; F314-I488 HydrophobicContact CZ-CG2 4.21Å; Y484-I488 HydrophobicContact CD1-CD1 3.94Å; Y484-I488 HydrophobicContact CD2-CD1 4.23Å; Y484-I488 HydrophobicContact CE1-CD1 3.34Å; Y484-I488 HydrophobicContact CE2-CD1 3.66Å; Y484-I488 HydrophobicContact CE2-CG1 4.36Å; Y484-I488 HydrophobicContact CG-CD1 4.36Å; Y484-I488 WeakPolarHBondContact O-CG1 3.47Å; Y484-I488 PolarHBondContact O-N 3.11Å; Y484-I488 WeakPolarHBondContact OH-CD1 3.16Å; V485-I488 PolarHBondContact O-N 3.39Å; F486-I488 PolarHBondContact O-N 3.33Å; I488-F490 VanDerWaalsContact C-N 3.28Å; I488-F490 PolarHBondContact O-N 2.68Å; I488-L491 PolarHBondContact O-N 3.29Å; I488-Y492 HydrophobicContact CG2-CD2 4.22Å; I488-Y492 WeakPolarHBondContact O-CB 3.04Å; I488-Y492 PolarHBondContact O-N 3.15Å |
| 489 | M | 92.7 | Very high | 83.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 178.9 | -74.7 | -165.6 | -84 | 0 | 0 | 111.7 | I245 I248 M249 Y252 I270 V485 F486 A493 | I245-M489 HydrophobicContact CG2-CE 4.08Å; I248-M489 HydrophobicContact CG1-CB 4.14Å; I248-M489 HydrophobicContact CG2-CE 3.54Å; I248-M489 HydrophobicContact CG2-SD 4.32Å; M249-M489 HydrophobicContact CB-CE 4.34Å; M249-M489 HydrophobicContact CB-SD 3.93Å; M249-M489 HydrophobicContact CG-SD 4.36Å; Y252-M489 HydrophobicContact CD2-CB 4.4Å; Y252-M489 WeakPolarHBondContact CD2-O 3.33Å; Y252-M489 HydrophobicContact CG-CB 4.33Å; Y252-M489 HydrophobicContact CG-CG 4.46Å; I270-M489 HydrophobicContact CG2-CG 3.81Å; V485-M489 HydrophobicContact CG1-CE 3.59Å; V485-M489 PolarHBondContact O-N 3.17Å; F486-M489 PolarHBondContact O-N 3.46Å; M489-A493 WeakPolarHBondContact O-CB 3.25Å; M489-A493 PolarHBondContact O-N 3.11Å |
| 490 | F | 92.2 | Very high | 81.3 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 25% | 0.25 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | 178.7 | -178.8 | -106 | 0 | 0 | 0 | 112.9 | I5 M9 L17 I248 W251 F486 A487 I488 | I5-F490 HydrophobicContact CG2-CE1 4.45Å; M9-F490 HydrophobicContact CE-CE1 3.81Å; L17-F490 HydrophobicContact CD1-CD1 4.32Å; L17-F490 HydrophobicContact CD1-CE1 4.25Å; L17-F490 HydrophobicContact CD2-CD1 3.8Å; L17-F490 HydrophobicContact CD2-CE1 3.9Å; I248-F490 HydrophobicContact CD1-CB 4.3Å; I248-F490 HydrophobicContact CD1-CD2 4.19Å; W251-F490 HydrophobicContact CH2-CD2 4.03Å; W251-F490 HydrophobicContact CH2-CE2 4.33Å; W251-F490 HydrophobicContact CZ3-CD2 4.19Å; F486-F490 HydrophobicContact CE1-CB 4.5Å; F486-F490 WeakPolarHBondContact O-CB 3.49Å; F486-F490 PolarHBondContact O-N 3.3Å; A487-F490 PolarHBondContact O-N 3.41Å; I488-F490 VanDerWaalsContact C-N 3.28Å; I488-F490 PolarHBondContact O-N 2.68Å |
| 491 | L | 88.3 | Confident | 78.7 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.4 | -36.5 | -175 | -73 | 174 | 0 | 0 | 0 | 112.6 | I5 I6 M9 L14 L17 A487 I488 | I5-L491 PolarHBondContact N-O 3Å; I6-L491 HydrophobicContact CB-CB 4.13Å; I6-L491 HydrophobicContact CB-CD2 4.3Å; I6-L491 WeakPolarHBondContact CB-O 3.44Å; I6-L491 HydrophobicContact CD1-CB 4.34Å; I6-L491 HydrophobicContact CD1-CD1 4.38Å; I6-L491 HydrophobicContact CG1-CD2 4.44Å; I6-L491 WeakPolarHBondContact CG2-O 3.42Å; I6-L491 PolarHBondContact N-O 3.31Å; M9-L491 HydrophobicContact CE-CD2 3.91Å; L14-L491 HydrophobicContact CD1-CD2 4.03Å; L17-L491 HydrophobicContact CD2-CD2 3.83Å; L17-L491 HydrophobicContact CD2-CG 4.25Å; A487-L491 WeakPolarHBondContact O-CB 3.24Å; A487-L491 WeakPolarHBondContact O-CG 3.33Å; A487-L491 PolarHBondContact O-N 3.37Å; I488-L491 PolarHBondContact O-N 3.29Å |
| 492 | Y | 87.6 | Confident | 76.1 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 8% | 0.078 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -88 | -1.7 | -179.9 | -82.1 | -86 | 0 | 0 | 0 | 114.3 | L266 I270 F318 I435 I488 | L266-Y492 HydrophobicContact CD2-CD1 4.19Å; L266-Y492 HydrophobicContact CD2-CE1 3.93Å; I270-Y492 HydrophobicContact CD1-CD1 4.26Å; I270-Y492 HydrophobicContact CD1-CD2 4.18Å; I270-Y492 HydrophobicContact CD1-CG 3.77Å; F318-Y492 HydrophobicContact CE2-CE1 4.44Å; F318-Y492 HydrophobicContact CE2-CE2 4.11Å; F318-Y492 AromaticContact CE2-CZ 3.67Å; F318-Y492 WeakPolarHBondContact CE2-OH 3.48Å; F318-Y492 WeakPolarHBondContact CZ-OH 3.48Å; I435-Y492 HydrophobicContact CD1-CE2 3.56Å; I435-Y492 WeakPolarHBondContact CD1-OH 3.25Å; I435-Y492 HydrophobicContact CG1-CE2 4.23Å; I488-Y492 HydrophobicContact CG2-CD2 4.22Å; I488-Y492 WeakPolarHBondContact O-CB 3.04Å; I488-Y492 PolarHBondContact O-N 3.15Å |
| 493 | A | 88.3 | Confident | 73.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -62.1 | 147.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A4 I5 W251 Y252 M489 S495 | A4-A493 CarbonylContact C-O 3.55Å; A4-A493 WeakPolarHBondContact CA-O 3.41Å; I5-A493 HydrophobicContact CD1-CB 3.92Å; I5-A493 HydrophobicContact CG1-CB 4.47Å; I5-A493 WeakPolarHBondContact CG1-O 3.43Å; I5-A493 PolarHBondContact N-O 2.83Å; W251-A493 HydrophobicContact CE3-CB 4.43Å; W251-A493 HydrophobicContact CH2-CB 3.48Å; W251-A493 VanDerWaalsContact CH2-CB 3.48Å; W251-A493 HydrophobicContact CZ3-CB 3.41Å; W251-A493 VanDerWaalsContact CZ3-CB 3.41Å; Y252-A493 HydrophobicContact CD2-CB 3.87Å; Y252-A493 HydrophobicContact CE2-CB 4.37Å; M489-A493 WeakPolarHBondContact O-CB 3.25Å; M489-A493 PolarHBondContact O-N 3.11Å; A493-S495 PolarHBondContact O-N 3.03Å |
| 494 | P | 85.6 | Confident | 70.6 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -57.9 | 135.7 | 171.5 | -24.9 | 33.7 | 0 | 0 | 0 | 112 | R255 I256 M259 | R255-P494 HydrophobicContact CB-CG 4.34Å; R255-P494 VanDerWaalsContact CZ-O 3.26Å; R255-P494 PolarHBondContact NE-O 3.07Å; R255-P494 PolarHBondContact NH2-O 3.17Å; I256-P494 HydrophobicContact CG1-CG 4.03Å; M259-P494 HydrophobicContact CE-CB 4.14Å; M259-P494 HydrophobicContact CE-CG 3.43Å; M259-P494 VanDerWaalsContact CE-CG 3.43Å; M259-P494 HydrophobicContact CG-CB 4.29Å; M259-P494 HydrophobicContact CG-CG 4.35Å; M259-P494 HydrophobicContact SD-CB 3.66Å; M259-P494 HydrophobicContact SD-CG 3.67Å |
| 495 | S | 79.7 | Confident | 68 | Low | 17 Ų | 17 | 79.8 Ų | 79.8 | 12% | 0.119 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 149.4 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | G3 N8 A493 K497 | G3-S495 WeakPolarHBondContact O-CB 3.1Å; G3-S495 PolarHBondContact O-N 2.93Å; N8-S495 WeakPolarHBondContact ND2-CB 3.42Å; N8-S495 PolarHBondContact ND2-OG 2.94Å; A493-S495 PolarHBondContact O-N 3.03Å; S495-K497 PolarHBondContact OG-N 2.89Å |
| 496 | H | 65.5 | Low | 65.2 | Low | 153 Ų | 153 | 86.6 Ų | 86.6 | 71% | 0.708 | 43% | 0.434 | S | S | * | . | trans | -89.6 | -10.5 | 175.7 | -120.4 | -100.7 | 0 | 0 | 0 | 113 | R255 R498 | R255-H496 PolarHBondContact NH1-CD2 3.49Å; H496-R498 PolarHBondContact O-N 3.29Å | ||
| 497 | K | 56.6 | Low | 62.3 | Low | 116 Ų | 116 | 87.5 Ų | 87.5 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | trans | -81.6 | 115.2 | -179 | -73.5 | -166.8 | 173.7 | -158.2 | 0 | 110.6 | S495 | S495-K497 PolarHBondContact OG-N 2.89Š| ||
| 498 | R | 49.9 | Very low | 59.4 | Low | 225 Ų | 225 | 95.2 Ų | 95.2 | 85% | 0.849 | 50% | 0.498 | S | S | * | . | trans | -95.4 | 97.7 | 166.4 | -69.4 | -177.5 | 180 | -176.5 | 0.8 | 108.8 | H496 G500 | H496-R498 PolarHBondContact O-N 3.29Å; R498-G500 PolarHBondContact O-N 3.31Å | ||
| 499 | Y | 45.7 | Very low | 56.7 | Low | 191 Ų | 191 | 98.5 Ų | 98.5 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 103.5 | 163.6 | -100.7 | -83.4 | 0 | 0 | 0 | 107.8 | ||
| 500 | G | 42.5 | Very low | 53.6 | Low | 63 Ų | 63 | 102 Ų | 102 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.4 | -17.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R498 | R498-G500 PolarHBondContact O-N 3.31Š|
| 501 | N | 37 | Very low | 50.5 | Low | 140 Ų | 140 | 104 Ų | 104 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -110.3 | -0.3 | -178.7 | -95.5 | 30.8 | 0 | 0 | 0 | 115.3 | Q503 S504 | N501-Q503 VanDerWaalsContact C-N 3.35Å; N501-S504 PolarHBondContact O-OG 3.33Å |
| 502 | E | 36.9 | Very low | 47.8 | Very low | 172 Ų | 172 | 110.1 Ų | 110.1 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 3.2 | -179.2 | -73 | -178.1 | 169.8 | 0 | 0 | 113.6 | ||
| 503 | Q | 36.6 | Very low | 45 | Very low | 196 Ų | 196 | 115 Ų | 115 | 92% | 0.916 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 11.2 | 179.1 | -112.9 | 164.3 | -8.4 | 0 | 0 | 114.3 | N501 | N501-Q503 VanDerWaalsContact C-N 3.35Š|
| 504 | S | 36.7 | Very low | 42.1 | Very low | 81 Ų | 81 | 118.5 Ų | 118.5 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -110.6 | 8.4 | 178.7 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | N501 | N501-S504 PolarHBondContact O-OG 3.33Š|
| 505 | N | 36 | Very low | 39.3 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -122.1 | 35.7 | -176.3 | -86.6 | 6.3 | 0 | 0 | 0 | 114.2 | ||
| 506 | V | 35.4 | Very low | 36.9 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -137.4 | 98.4 | 162.4 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 507 | G | 32.2 | Very low | 35.2 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 60.6 | 107 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 508 | D | 30.4 | Very low | 33.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | 112.6 | 138 | 125 | -141.4 | 14.7 | 0 | 0 | 0 | 118.9 | |||||
| 509 | G | 35.7 | Very low | 32.7 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -69.7 | 149.3 | -152.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 510 | G | 27.1 | Very low | 31.8 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -177.9 | 117.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 511 | A | 27.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -36.3 | 130.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 512 | T | 31.6 | Very low | 31.1 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -6.7 | 115.5 | 148.1 | 47.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 513 | S | 27.5 | Very low | 30.7 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | -146.3 | 105.9 | 127.9 | 63.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 514 | G | 28.1 | Very low | 30.2 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -87.4 | 120.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 515 | E | 26.9 | Very low | 29.9 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -104.1 | 83.5 | 155.2 | -78.9 | -171.3 | 161.6 | 0 | 0 | 108.1 | I517 | E515-I517 PolarHBondContact O-N 3.44Š| ||
| 516 | D | 28.7 | Very low | 29.7 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 112.9 | 163.7 | -82.2 | -37.4 | 0 | 0 | 0 | 108.8 | Q518 | D516-Q518 PolarHBondContact O-N 3.02Š| ||
| 517 | I | 30.1 | Very low | 29.3 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -74.8 | 90.4 | 171.1 | -60.3 | 171.3 | 0 | 0 | 0 | 107.8 | E515 | E515-I517 PolarHBondContact O-N 3.44Š| ||
| 518 | Q | 25.2 | Very low | 29.3 | Very low | 168 Ų | 168 | 132 Ų | 132 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -79.6 | 108.1 | 160.9 | -81.8 | -172.5 | -9.9 | 0 | 0 | 109.3 | D516 T520 | D516-Q518 PolarHBondContact O-N 3.02Å; Q518-T520 PolarHBondContact O-N 3.38Å | ||
| 519 | L | 29 | Very low | 29.2 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -91.1 | 80.1 | 166.1 | -156.7 | 90.8 | 0 | 0 | 0 | 108.7 | ||||
| 520 | T | 27.1 | Very low | 29.2 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -86.4 | 115.9 | 170.8 | -51.1 | 0 | 0 | 0 | 0 | 109.1 | Q518 | Q518-T520 PolarHBondContact O-N 3.38Š| ||
| 521 | T | 34.9 | Very low | 29.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -85.9 | 100.6 | 172.8 | 5.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 522 | T | 28.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | 179.7 | 110.2 | 152.5 | 4.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 523 | I | 28.3 | Very low | 29.9 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -140.2 | 110.7 | 150.7 | -62.4 | -174.1 | 0 | 0 | 0 | 108.3 | ||||
| 524 | T | 27.1 | Very low | 30.2 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 145.2 | 159.2 | 40.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 525 | H | 30.8 | Very low | 30.5 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -26 | 137.9 | 170.8 | -90.4 | -94 | 0 | 0 | 0 | 116.3 | ||||
| 526 | V | 30.8 | Very low | 31 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | 169.7 | 141 | 125.7 | 158.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 527 | D | 28 | Very low | 30.9 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 95.3 | 131.1 | 174.6 | -61.1 | -28 | 0 | 0 | 0 | 119.6 | ||||
| 528 | G | 31.4 | Very low | 30.8 | Very low | 63 Ų | 63 | 145.2 Ų | 145.2 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -79.7 | -165.3 | -157.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | T530 | G528-T530 PolarHBondContact O-N 2.71Š| ||
| 529 | P | 29.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 123 | -154.4 | 29.9 | -33.2 | 0 | 0 | 0 | 112.9 | E531 | P529-E531 PolarHBondContact O-N 3.48Š| ||
| 530 | T | 34.9 | Very low | 31 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -72.5 | 106.6 | 172.2 | 35.8 | 0 | 0 | 0 | 0 | 112.1 | G528 L532 | G528-T530 PolarHBondContact O-N 2.71Å; T530-L532 PolarHBondContact O-N 3.43Å | ||
| 531 | E | 34.1 | Very low | 31.1 | Very low | 140 Ų | 140 | 146 Ų | 146 | 65% | 0.654 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 27.5 | -9.4 | 135.2 | -71.9 | -93.2 | 123.7 | 0 | 0 | 123.1 | P529 | P529-E531 PolarHBondContact O-N 3.48Š|
| 532 | L | 34.2 | Very low | 30.9 | Very low | 161 Ų | 161 | 153 Ų | 153 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.1 | 177.9 | -137.5 | 91.9 | 0 | 0 | 0 | 113.7 | T530 | T530-L532 PolarHBondContact O-N 3.43Š|
| 533 | Y | 32.6 | Very low | 31 | Very low | 223 Ų | 223 | 154.7 Ų | 154.7 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 3.1 | -177.9 | -104.1 | -89.3 | 0 | 0 | 0 | 114.6 | ||
| 534 | K | 33.9 | Very low | 31.2 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -96.9 | -3.2 | -179.9 | -94.8 | -178.1 | 178.3 | 174.7 | 0 | 115.4 | ||
| 535 | M | 34.4 | Very low | 31.4 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -105.4 | 3 | -173.6 | -73.2 | -166.2 | -136.3 | 0 | 0 | 116.4 | ||
| 536 | T | 37.3 | Very low | 31.5 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | trans | -122.7 | 67.2 | 171.3 | 33.7 | 0 | 0 | 0 | 0 | 110.2 | K538 | T536-K538 PolarHBondContact O-N 3.27Š| ||
| 537 | G | 27.2 | Very low | 31.5 | Very low | 71 Ų | 71 | 155.3 Ų | 155.3 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | -75.4 | 113.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 538 | K | 27.2 | Very low | 31.7 | Very low | 212 Ų | 212 | 155.1 Ų | 155.1 | 92% | 0.922 | 83% | 0.826 | S | S | * | * | trans | -138.2 | 96 | 138.3 | -97.5 | -170.5 | 175.9 | -176.9 | 0 | 106.9 | T536 | T536-K538 PolarHBondContact O-N 3.27Š| ||
| 539 | E | 31.6 | Very low | 31.8 | Very low | 192 Ų | 192 | 161.6 Ų | 161.6 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | -79.2 | 170.4 | 161.1 | -73.7 | -174.5 | 154.9 | 0 | 0 | 110.7 | ||||
| 540 | A | 28.2 | Very low | 31.9 | Very low | 84 Ų | 84 | 163.6 Ų | 163.6 | 69% | 0.694 | 84% | 0.835 | S | S | * | * | trans | 94.5 | 126.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 541 | Q | 28.3 | Very low | 31.7 | Very low | 178 Ų | 178 | 166.8 Ų | 166.8 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | cis | -169.3 | 145.9 | 5.9 | -121 | 163.3 | -38.8 | 0 | 0 | 106.5 | ||||
| 542 | E | 31.4 | Very low | 31.5 | Very low | 271 Ų | 271 | 169.2 Ų | 169.2 | 100% | 1.266 | 86% | 0.857 | S | S | * | * | trans | 70.3 | 0 | 171.5 | -66.2 | -173.9 | 166.6 | 0 | 0 | 119.6 |
Retrieved 542 of 542 residues in 470.3 ms
(Link to these results)