| 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 | 78.7 | Confident | 87.2 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | 0 | -54 | 0 | -74.1 | -52 | -74.9 | 0 | 0 | 113.2 | E3 L4 R5 L70 T71 L74 | M1-E3 PolarHBondContact O-N 3.24Å; M1-L4 PolarHBondContact O-N 3.04Å; M1-R5 WeakPolarHBondContact O-CG 3.47Å; M1-R5 PolarHBondContact O-N 3.15Å; M1-L70 HydrophobicContact CG-CD2 3.97Å; M1-L70 HydrophobicContact CG-CG 4.39Å; M1-L70 HydrophobicContact SD-CB 3.99Å; M1-L70 HydrophobicContact SD-CD2 3.46Å; M1-L70 WeakPolarHBondContact SD-CD2 3.32Å; M1-L70 HydrophobicContact SD-CG 3.8Å; M1-T71 WeakPolarHBondContact CE-OG1 3.34Å; M1-L74 HydrophobicContact CG-CD1 3.91Å | |||
| 2 | D | 82.4 | Confident | 87.4 | Confident | 122 Ų | 122 | 64.6 Ų | 64.6 | 65% | 0.652 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | -174.7 | -67.4 | -26.6 | 0 | 0 | 0 | 114.3 | L4 R5 A6 | D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 3.06Å; D2-R5 PolarHBondContact O-N 2.99Å; D2-R5 IonicContact OD1-NH1 2.93Å; D2-A6 PolarHBondContact O-N 3.39Å; D2-A6 VanDerWaalsContact O-N 3.11Å |
| 3 | E | 84.7 | Confident | 87.5 | Confident | 171 Ų | 171 | 70.8 Ų | 70.8 | 80% | 0.799 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 173.9 | -66.1 | -179.5 | 170.8 | 0 | 0 | 111.9 | M1 R5 A6 E7 | M1-E3 PolarHBondContact O-N 3.24Å; E3-R5 VanDerWaalsContact C-N 3.35Å; E3-R5 PolarHBondContact O-N 3.29Å; E3-A6 WeakPolarHBondContact O-CB 3.45Å; E3-A6 PolarHBondContact O-N 3.21Å; E3-A6 VanDerWaalsContact O-N 3.13Å; E3-E7 PolarHBondContact O-N 3.41Å |
| 4 | L | 86.2 | Confident | 87.4 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.5 | -144.6 | 92.8 | 0 | 0 | 0 | 111.6 | M1 D2 A6 E7 I8 E66 A67 | M1-L4 PolarHBondContact O-N 3.04Å; D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 3.06Å; L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.04Å; L4-E7 PolarHBondContact O-N 2.98Å; L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.24Å; L4-I8 PolarHBondContact O-N 3.5Å; L4-E66 HydrophobicContact CD1-CG 4.11Å; L4-E66 HydrophobicContact CD2-CB 4.2Å; L4-E66 HydrophobicContact CD2-CG 4.09Å; L4-A67 VanDerWaalsContact CD2-CA 3.48Å; L4-A67 HydrophobicContact CD2-CB 3.62Å |
| 5 | R | 87.4 | Confident | 87.6 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 59% | 0.592 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.9 | -39 | 173.7 | -74.6 | 175.3 | 175 | 175.8 | -3 | 111.8 | M1 D2 E3 A9 | M1-R5 WeakPolarHBondContact O-CG 3.47Å; M1-R5 PolarHBondContact O-N 3.15Å; D2-R5 PolarHBondContact O-N 2.99Å; D2-R5 IonicContact OD1-NH1 2.93Å; E3-R5 VanDerWaalsContact C-N 3.35Å; E3-R5 PolarHBondContact O-N 3.29Å; R5-A9 WeakPolarHBondContact O-CB 3.47Å; R5-A9 PolarHBondContact O-N 3.1Å |
| 6 | A | 87.9 | Confident | 87.7 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D2 E3 L4 A9 F10 | D2-A6 PolarHBondContact O-N 3.39Å; D2-A6 VanDerWaalsContact O-N 3.11Å; E3-A6 WeakPolarHBondContact O-CB 3.45Å; E3-A6 PolarHBondContact O-N 3.21Å; E3-A6 VanDerWaalsContact O-N 3.13Å; L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.04Å; A6-A9 PolarHBondContact O-N 3.32Å; A6-F10 PolarHBondContact O-N 2.96Å |
| 7 | E | 88.4 | Confident | 87.5 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 174.1 | -75.1 | -65.8 | 159.3 | 0 | 0 | 112.5 | E3 L4 F10 A11 K55 L63 | E3-E7 PolarHBondContact O-N 3.41Å; L4-E7 PolarHBondContact O-N 2.98Å; E7-F10 WeakPolarHBondContact O-CB 3.48Å; E7-F10 PolarHBondContact O-N 3.42Å; E7-A11 WeakPolarHBondContact O-CB 3.21Å; E7-A11 PolarHBondContact O-N 3.04Å; E7-K55 IonicContact OE1-NZ 3.94Å; E7-K55 PolarHBondContact OE1-NZ 3.4Å; E7-L63 HydrophobicContact CB-CD1 4.23Å |
| 8 | I | 90.2 | Very high | 87.2 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 172.7 | -69.8 | 165.6 | 0 | 0 | 0 | 110.4 | L4 F10 A11 Q12 L63 I64 A67 | L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.24Å; L4-I8 PolarHBondContact O-N 3.5Å; I8-F10 VanDerWaalsContact C-N 3.31Å; I8-F10 PolarHBondContact O-N 2.88Å; I8-A11 PolarHBondContact O-N 3.48Å; I8-Q12 HydrophobicContact CG2-CG 4.15Å; I8-Q12 WeakPolarHBondContact O-CB 3.44Å; I8-Q12 WeakPolarHBondContact O-CG 3.46Å; I8-Q12 PolarHBondContact O-N 2.77Å; I8-L63 HydrophobicContact CD1-CB 4.34Å; I8-L63 HydrophobicContact CG1-CB 3.55Å; I8-L63 HydrophobicContact CG1-CD1 4.36Å; I8-I64 HydrophobicContact CG2-CG1 4.44Å; I8-A67 HydrophobicContact CD1-CB 3.92Å |
| 9 | A | 90.3 | Very high | 87.1 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R5 A6 K13 G14 E15 | R5-A9 WeakPolarHBondContact O-CB 3.47Å; R5-A9 PolarHBondContact O-N 3.1Å; A6-A9 PolarHBondContact O-N 3.32Å; A9-K13 WeakPolarHBondContact O-CA 3.47Å; A9-K13 WeakPolarHBondContact O-CB 3.5Å; A9-K13 PolarHBondContact O-N 2.86Å; A9-G14 PolarHBondContact O-N 2.93Å; A9-E15 HydrophobicContact CB-CB 4.14Å; A9-E15 PolarHBondContact O-N 3.4Å |
| 10 | F | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 173.2 | 176.4 | -130.4 | 0 | 0 | 0 | 112.1 | A6 E7 I8 G14 E15 P17 M25 H41 L43 K55 | A6-F10 PolarHBondContact O-N 2.96Å; E7-F10 WeakPolarHBondContact O-CB 3.48Å; E7-F10 PolarHBondContact O-N 3.42Å; I8-F10 VanDerWaalsContact C-N 3.31Å; I8-F10 PolarHBondContact O-N 2.88Å; F10-G14 WeakPolarHBondContact O-CA 3.49Å; F10-G14 PolarHBondContact O-N 3.49Å; F10-G14 VanDerWaalsContact O-N 3.13Å; F10-E15 VanDerWaalsContact CA-O 3.31Å; F10-E15 WeakPolarHBondContact CA-O 3.49Å; F10-E15 WeakPolarHBondContact CB-O 3.47Å; F10-P17 HydrophobicContact CB-CG 4.2Å; F10-P17 HydrophobicContact CD1-CG 4.43Å; F10-P17 HydrophobicContact CG-CG 4.14Å; F10-M25 HydrophobicContact CE2-CE 4.46Å; F10-H41 HydrophobicContact CD2-CB 4.4Å; F10-H41 HydrophobicContact CE2-CB 3.72Å; F10-H41 HydrophobicContact CZ-CB 4.06Å; F10-H41 WeakPolarHBondContact CZ-O 3.32Å; F10-H41 PolarHBondContact O-ND1 3.11Å; F10-L43 HydrophobicContact CD2-CD1 4.27Å; F10-L43 HydrophobicContact CE1-CD1 4.26Å; F10-L43 HydrophobicContact CE2-CD1 3.47Å; F10-L43 VanDerWaalsContact CE2-CD1 3.47Å; F10-L43 HydrophobicContact CE2-CD2 4.09Å; F10-L43 HydrophobicContact CE2-CG 3.62Å; F10-L43 HydrophobicContact CZ-CD1 3.47Å; F10-L43 VanDerWaalsContact CZ-CD1 3.47Å; F10-L43 HydrophobicContact CZ-CG 3.63Å; F10-K55 HydrophobicContact CE1-CG 4.46Å |
| 11 | A | 90.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E7 I8 H41 C58 P60 L63 | E7-A11 WeakPolarHBondContact O-CB 3.21Å; E7-A11 PolarHBondContact O-N 3.04Å; I8-A11 PolarHBondContact O-N 3.48Å; A11-H41 PolarHBondContact O-ND1 3.14Å; A11-C58 WeakPolarHBondContact CB-O 3.15Å; A11-P60 HydrophobicContact CB-CB 4.1Å; A11-L63 HydrophobicContact CB-CD1 3.84Å |
| 12 | Q | 89.5 | Confident | 87.1 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -84.1 | -37.9 | -175 | -70.1 | -175.8 | -34.9 | 0 | 0 | 114 | I8 P60 | I8-Q12 HydrophobicContact CG2-CG 4.15Å; I8-Q12 WeakPolarHBondContact O-CB 3.44Å; I8-Q12 WeakPolarHBondContact O-CG 3.46Å; I8-Q12 PolarHBondContact O-N 2.77Å; Q12-P60 HydrophobicContact CG-CB 3.68Å |
| 13 | K | 89.2 | Confident | 87.3 | Confident | 145 Ų | 145 | 75.9 Ų | 75.9 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -120.8 | -4.2 | -168.2 | -59.7 | 178.1 | -177.5 | 175.8 | 0 | 113.8 | A9 E15 | A9-K13 WeakPolarHBondContact O-CA 3.47Å; A9-K13 WeakPolarHBondContact O-CB 3.5Å; A9-K13 PolarHBondContact O-N 2.86Å; K13-E15 HydrophobicContact CB-CG 4.01Å; K13-E15 WeakPolarHBondContact CD-OE1 3.39Å; K13-E15 IonicContact NZ-OE1 3.89Å; K13-E15 PolarHBondContact O-N 3.28Å |
| 14 | G | 86.4 | Confident | 87.4 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | trans | 67.5 | 21.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A9 F10 K16 M25 | A9-G14 PolarHBondContact O-N 2.93Å; F10-G14 WeakPolarHBondContact O-CA 3.49Å; F10-G14 PolarHBondContact O-N 3.49Å; F10-G14 VanDerWaalsContact O-N 3.13Å; G14-K16 PolarHBondContact O-N 2.95Å; G14-M25 WeakPolarHBondContact O-CE 3.46Å | ||
| 15 | E | 89.8 | Confident | 87.6 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | trans | -71.8 | 113.8 | 177 | -72.6 | -179.7 | -156.3 | 0 | 0 | 109.8 | A9 F10 K13 P17 | A9-E15 HydrophobicContact CB-CB 4.14Å; A9-E15 PolarHBondContact O-N 3.4Å; F10-E15 VanDerWaalsContact CA-O 3.31Å; F10-E15 WeakPolarHBondContact CA-O 3.49Å; F10-E15 WeakPolarHBondContact CB-O 3.47Å; K13-E15 HydrophobicContact CB-CG 4.01Å; K13-E15 WeakPolarHBondContact CD-OE1 3.39Å; K13-E15 IonicContact NZ-OE1 3.89Å; K13-E15 PolarHBondContact O-N 3.28Å; E15-P17 VanDerWaalsContact O-CD 3.25Å; E15-P17 WeakPolarHBondContact O-CD 3.46Å | ||
| 16 | K | 88.7 | Confident | 87.7 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | trans | -67.1 | 114.9 | -174.8 | -59.9 | -176.5 | -172.2 | 176.3 | 0 | 111.2 | G14 R21 C23 M25 L43 | G14-K16 PolarHBondContact O-N 2.95Å; K16-R21 HydrophobicContact CB-CG 4.48Å; K16-R21 WeakPolarHBondContact CD-O 3.49Å; K16-R21 PolarHBondContact NZ-O 3.31Å; K16-C23 WeakPolarHBondContact CE-O 3.44Å; K16-C23 PolarHBondContact NZ-O 3.4Å; K16-M25 HydrophobicContact CD-CE 4.15Å; K16-M25 HydrophobicContact CG-CE 3.43Å; K16-M25 VanDerWaalsContact CG-CE 3.43Å; K16-L43 HydrophobicContact CD-CD2 4.18Å; K16-L43 HydrophobicContact CG-CD2 3.98Å | ||
| 17 | P | 85.3 | Confident | 87.8 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.104 | 38% | 0.381 | C | S | . | . | trans | -69.1 | 152.1 | 177.4 | 25.6 | -26.2 | 0 | 0 | 0 | 109.9 | F10 E15 Y20 | F10-P17 HydrophobicContact CB-CG 4.2Å; F10-P17 HydrophobicContact CD1-CG 4.43Å; F10-P17 HydrophobicContact CG-CG 4.14Å; E15-P17 VanDerWaalsContact O-CD 3.25Å; E15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-Y20 HydrophobicContact CG-CD2 4.1Å; P17-Y20 PolarHBondContact O-N 3.36Å | ||
| 18 | W | 81.6 | Confident | 87.7 | Confident | 212 Ų | 212 | 79.2 Ų | 79.2 | 80% | 0.803 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 135 | 171.1 | -174.7 | 91.5 | 0 | 0 | 0 | 108.9 | ||
| 19 | P | 86.2 | Confident | 87.7 | Confident | 75 Ų | 75 | 87.4 Ų | 87.4 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.2 | 6.4 | 9.3 | 36.7 | -36.1 | 0 | 0 | 0 | 115.9 | R21 | P19-R21 PolarHBondContact O-N 3.15Š|
| 20 | Y | 85.6 | Confident | 87.5 | Confident | 61 Ų | 61 | 87.2 Ų | 87.2 | 24% | 0.239 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -78 | 18.2 | -168.3 | -51.3 | -82.1 | 0 | 0 | 0 | 116.1 | P17 S22 C23 L43 W45 K55 | P17-Y20 HydrophobicContact CG-CD2 4.1Å; P17-Y20 PolarHBondContact O-N 3.36Å; Y20-S22 PolarHBondContact O-N 3.25Å; Y20-C23 WeakPolarHBondContact O-CB 3.3Å; Y20-C23 PolarHBondContact O-N 2.89Å; Y20-C23 VanDerWaalsContact O-N 3.16Å; Y20-L43 HydrophobicContact CD2-CD1 4.46Å; Y20-L43 HydrophobicContact CG-CD1 4.03Å; Y20-W45 HydrophobicContact CD1-CE3 4.5Å; Y20-W45 HydrophobicContact CD1-CH2 4.46Å; Y20-W45 HydrophobicContact CD1-CZ3 4.22Å; Y20-W45 AromaticContact CE1-CH2 3.93Å; Y20-W45 HydrophobicContact CE1-CH2 3.93Å; Y20-W45 HydrophobicContact CE1-CZ2 4.35Å; Y20-W45 HydrophobicContact CE1-CZ3 4.13Å; Y20-K55 HydrophobicContact CD2-CD 4.27Å; Y20-K55 HydrophobicContact CE1-CD 4.24Å; Y20-K55 HydrophobicContact CE2-CD 3.74Å |
| 21 | R | 83.3 | Confident | 87.4 | Confident | 182 Ų | 182 | 95.6 Ų | 95.6 | 69% | 0.687 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -61.7 | -29.7 | -175 | -66.7 | -174.8 | 178.4 | -169.2 | 0.5 | 113.1 | K16 P19 | K16-R21 HydrophobicContact CB-CG 4.48Å; K16-R21 WeakPolarHBondContact CD-O 3.49Å; K16-R21 PolarHBondContact NZ-O 3.31Å; P19-R21 PolarHBondContact O-N 3.15Å |
| 22 | S | 83.2 | Confident | 87.2 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -86.7 | -11.2 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 114.9 | Y20 | Y20-S22 PolarHBondContact O-N 3.25Š|
| 23 | C | 86.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 100.5 Ų | 100.5 | 7% | 0.074 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -68.6 | 147.5 | -178.1 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | K16 Y20 L43 W45 | K16-C23 WeakPolarHBondContact CE-O 3.44Å; K16-C23 PolarHBondContact NZ-O 3.4Å; Y20-C23 WeakPolarHBondContact O-CB 3.3Å; Y20-C23 PolarHBondContact O-N 2.89Å; Y20-C23 VanDerWaalsContact O-N 3.16Å; C23-L43 HydrophobicContact CB-CB 4.1Å; C23-L43 HydrophobicContact CB-CD2 4.35Å; C23-W45 HydrophobicContact CB-CB 4.43Å |
| 24 | L | 87.7 | Confident | 87.1 | Confident | 125 Ų | 125 | 102 Ų | 102 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 144.9 | 170.3 | -70.9 | 170.8 | 0 | 0 | 0 | 109 | L43 V44 | L24-L43 CarbonylContact O-C 3.59Å; L24-L43 WeakPolarHBondContact O-CA 3.17Å; L24-V44 PolarHBondContact N-O 3.21Å; L24-V44 PolarHBondContact O-N 3.49Å |
| 25 | M | 89.5 | Confident | 87.1 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 31% | 0.31 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.1 | 177.7 | -166.8 | -178.5 | -69.1 | 0 | 0 | 109.6 | F10 G14 K16 H41 I42 L43 | F10-M25 HydrophobicContact CE2-CE 4.46Å; G14-M25 WeakPolarHBondContact O-CE 3.46Å; K16-M25 HydrophobicContact CD-CE 4.15Å; K16-M25 HydrophobicContact CG-CE 3.43Å; K16-M25 VanDerWaalsContact CG-CE 3.43Å; M25-H41 HydrophobicContact CG-CB 4.48Å; M25-H41 HydrophobicContact SD-CB 4.24Å; M25-I42 CarbonylContact C-O 3.46Å; M25-I42 WeakPolarHBondContact CA-O 3.32Å; M25-L43 HydrophobicContact CB-CD2 4.21Å; M25-L43 HydrophobicContact CE-CD2 3.73Å; M25-L43 HydrophobicContact CG-CD2 4.19Å |
| 26 | R | 88.9 | Confident | 87 | Confident | 161 Ų | 161 | 101.5 Ų | 101.5 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152.6 | 170.4 | -63.2 | -177.9 | -178.5 | 172.5 | 2.5 | 108.6 | I42 V44 | R26-I42 HydrophobicContact CB-CB 4.43Å; R26-I42 PolarHBondContact N-O 2.95Å; R26-I42 PolarHBondContact O-N 2.97Å; R26-V44 HydrophobicContact CG-CG2 4.49Å |
| 27 | E | 89.9 | Confident | 87.1 | Confident | 145 Ų | 145 | 104 Ų | 104 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.6 | 171.7 | -64 | -173.3 | -173.4 | 0 | 0 | 109.5 | H39 T40 | E27-H39 IonicContact OE1-NE2 2.78Å; E27-H39 IonicContact OE2-CD2 3.99Å; E27-H39 IonicContact OE2-CE1 3.31Å; E27-H39 IonicContact OE2-NE2 2.71Å; E27-H39 PolarHBondContact OE2-NE2 3.5Å; E27-T40 WeakPolarHBondContact CA-O 3.47Å |
| 28 | G | 88 | Confident | 87.3 | Confident | 19 Ų | 19 | 105.2 Ų | 105.2 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | -175.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T40 | G28-T40 VanDerWaalsContact CA-OG1 3.32Å; G28-T40 WeakPolarHBondContact CA-OG1 3.24Å; G28-T40 PolarHBondContact N-O 2.97Å; G28-T40 PolarHBondContact O-N 3.3Å; G28-T40 PolarHBondContact O-OG1 3.47Å |
| 29 | R | 89.4 | Confident | 87.6 | Confident | 195 Ų | 195 | 99.3 Ų | 99.3 | 74% | 0.736 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.7 | 170.1 | -59 | -163.6 | -174.2 | -177.7 | -3.4 | 108.7 | E37 T40 | R29-E37 HydrophobicContact CB-CG 4.4Å; R29-E37 WeakPolarHBondContact CD-OE1 3.33Å; R29-E37 IonicContact CZ-OE1 3.56Å; R29-E37 IonicContact NE-OE1 3.7Å; R29-E37 IonicContact NH1-OE1 3.62Å; R29-E37 PolarHBondContact NH1-OE1 3.42Å; R29-E37 IonicContact NH1-OE2 3.26Å; R29-T40 PolarHBondContact N-OG1 3.2Å |
| 30 | G | 86 | Confident | 87.9 | Confident | 15 Ų | 15 | 95.9 Ų | 95.9 | 16% | 0.155 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 164.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E37 Y38 | G30-E37 CarbonylContact O-C 3.58Å; G30-E37 WeakPolarHBondContact O-CA 3.38Å; G30-Y38 PolarHBondContact N-O 2.76Å; G30-Y38 PolarHBondContact O-N 3Å |
| 31 | Y | 90.5 | Very high | 88.2 | Confident | 175 Ų | 175 | 93.9 Ų | 93.9 | 69% | 0.686 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.3 | 172.1 | -174.4 | -93.2 | 0 | 0 | 0 | 108.9 | ||
| 32 | C | 86.9 | Confident | 88.6 | Confident | 17 Ų | 17 | 86.6 Ų | 86.6 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.5 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | K34 H35 G36 Y38 C59 C62 | C32-K34 PolarHBondContact O-N 3.04Å; C32-K34 VanDerWaalsContact O-N 3.15Å; C32-K34 PolarHBondContact SG-N 2.6Å; C32-H35 HydrophobicContact CB-CB 4.34Å; C32-H35 PolarHBondContact O-N 2.9Å; C32-G36 PolarHBondContact N-O 3.5Å; C32-G36 WeakPolarHBondContact O-CA 3.44Å; C32-G36 PolarHBondContact O-N 2.87Å; C32-Y38 HydrophobicContact CB-CD1 3.78Å; C32-Y38 HydrophobicContact CB-CE1 3.82Å; C32-C59 HydrophobicContact CB-CB 3.86Å; C32-C62 PolarHBondContact SG-SG 2.75Å |
| 33 | E | 88.1 | Confident | 88.9 | Confident | 190 Ų | 190 | 81.2 Ų | 81.2 | 89% | 0.888 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.6 | 177.8 | -64.1 | -176.7 | 167.3 | 0 | 0 | 113.2 | ||
| 34 | K | 86.8 | Confident | 89.1 | Confident | 177 Ų | 177 | 81.6 Ų | 81.6 | 77% | 0.77 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -36.5 | -178.9 | -65.7 | -175.3 | 179.5 | -179.9 | 0 | 114.1 | C32 | C32-K34 PolarHBondContact O-N 3.04Å; C32-K34 VanDerWaalsContact O-N 3.15Å; C32-K34 PolarHBondContact SG-N 2.6Å |
| 35 | H | 87.9 | Confident | 89.1 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -0.6 | -169.5 | -56.4 | 115.1 | 0 | 0 | 0 | 114.4 | C32 C59 C62 | C32-H35 HydrophobicContact CB-CB 4.34Å; C32-H35 PolarHBondContact O-N 2.9Å; H35-C59 PolarHBondContact ND1-SG 2.89Å; H35-C59 VanDerWaalsContact ND1-SG 3.43Å; H35-C62 PolarHBondContact CE1-N 3.45Å; H35-C62 PolarHBondContact CE1-SG 2.65Å; H35-C62 PolarHBondContact ND1-SG 2.95Å |
| 36 | G | 87.9 | Confident | 88.8 | Confident | 19 Ų | 19 | 80.3 Ų | 80.3 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | -151.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C32 | C32-G36 PolarHBondContact N-O 3.5Å; C32-G36 WeakPolarHBondContact O-CA 3.44Å; C32-G36 PolarHBondContact O-N 2.87Å |
| 37 | E | 89.1 | Confident | 88.5 | Confident | 125 Ų | 125 | 74.1 Ų | 74.1 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.3 | -179.2 | -165.3 | -178.6 | -176.5 | 0 | 0 | 110.6 | R29 G30 | R29-E37 HydrophobicContact CB-CG 4.4Å; R29-E37 WeakPolarHBondContact CD-OE1 3.33Å; R29-E37 IonicContact CZ-OE1 3.56Å; R29-E37 IonicContact NE-OE1 3.7Å; R29-E37 IonicContact NH1-OE1 3.62Å; R29-E37 PolarHBondContact NH1-OE1 3.42Å; R29-E37 IonicContact NH1-OE2 3.26Å; G30-E37 CarbonylContact O-C 3.58Å; G30-E37 WeakPolarHBondContact O-CA 3.38Å |
| 38 | Y | 90.5 | Very high | 88.1 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 17% | 0.169 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154.5 | -180 | 72.1 | -83.3 | 0 | 0 | 0 | 111.6 | G30 C32 T40 S57 C58 C59 | G30-Y38 PolarHBondContact N-O 2.76Å; G30-Y38 PolarHBondContact O-N 3Å; C32-Y38 HydrophobicContact CB-CD1 3.78Å; C32-Y38 HydrophobicContact CB-CE1 3.82Å; Y38-T40 HydrophobicContact CD2-CG2 3.95Å; Y38-T40 HydrophobicContact CE2-CG2 3.33Å; Y38-S57 PolarHBondContact OH-O 2.94Å; Y38-S57 VanDerWaalsContact OH-O 3.14Å; Y38-C58 VanDerWaalsContact CE2-C 3.48Å; Y38-C58 WeakPolarHBondContact CE2-O 3.42Å; Y38-C59 HydrophobicContact CD1-CB 4Å; Y38-C59 HydrophobicContact CD2-CB 4.17Å; Y38-C59 HydrophobicContact CE1-CB 3.9Å; Y38-C59 VanDerWaalsContact CE2-CA 3.45Å; Y38-C59 HydrophobicContact CE2-CB 4.07Å; Y38-C59 HydrophobicContact CG-CB 4.15Å |
| 39 | H | 88.8 | Confident | 87.8 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 40% | 0.403 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.1 | 176.7 | -176.2 | -87.1 | 0 | 0 | 0 | 110.2 | E27 H41 | E27-H39 IonicContact OE1-NE2 2.78Å; E27-H39 IonicContact OE2-CD2 3.99Å; E27-H39 IonicContact OE2-CE1 3.31Å; E27-H39 IonicContact OE2-NE2 2.71Å; E27-H39 PolarHBondContact OE2-NE2 3.5Å; H39-H41 AromaticContact CE1-CE1 3.91Å; H39-H41 AromaticContact CE1-NE2 3.71Å; H39-H41 AromaticContact ND1-CE1 3.73Å |
| 40 | T | 90.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.8 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | E27 G28 R29 Y38 I56 S57 | E27-T40 WeakPolarHBondContact CA-O 3.47Å; G28-T40 VanDerWaalsContact CA-OG1 3.32Å; G28-T40 WeakPolarHBondContact CA-OG1 3.24Å; G28-T40 PolarHBondContact N-O 2.97Å; G28-T40 PolarHBondContact O-N 3.3Å; G28-T40 PolarHBondContact O-OG1 3.47Å; R29-T40 PolarHBondContact N-OG1 3.2Å; Y38-T40 HydrophobicContact CD2-CG2 3.95Å; Y38-T40 HydrophobicContact CE2-CG2 3.33Å; T40-I56 HydrophobicContact CG2-CG2 3.75Å; T40-S57 WeakPolarHBondContact CA-OG 3.41Å |
| 41 | H | 92.2 | Very high | 87.1 | Confident | 19 Ų | 19 | 82.2 Ų | 82.2 | 9% | 0.088 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.9 | 164.4 | -63.1 | 94.5 | 0 | 0 | 0 | 108.5 | F10 A11 M25 H39 S57 | F10-H41 HydrophobicContact CD2-CB 4.4Å; F10-H41 HydrophobicContact CE2-CB 3.72Å; F10-H41 HydrophobicContact CZ-CB 4.06Å; F10-H41 WeakPolarHBondContact CZ-O 3.32Å; F10-H41 PolarHBondContact O-ND1 3.11Å; A11-H41 PolarHBondContact O-ND1 3.14Å; M25-H41 HydrophobicContact CG-CB 4.48Å; M25-H41 HydrophobicContact SD-CB 4.24Å; H39-H41 AromaticContact CE1-CE1 3.91Å; H39-H41 AromaticContact CE1-NE2 3.71Å; H39-H41 AromaticContact ND1-CE1 3.73Å; H41-S57 PolarHBondContact N-OG 3.44Å; H41-S57 PolarHBondContact O-N 3.31Å |
| 42 | I | 91.2 | Very high | 86.8 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.1 | -178.5 | -51.8 | 177.6 | 0 | 0 | 0 | 108.5 | M25 R26 V44 E54 K55 I56 | M25-I42 CarbonylContact C-O 3.46Å; M25-I42 WeakPolarHBondContact CA-O 3.32Å; R26-I42 HydrophobicContact CB-CB 4.43Å; R26-I42 PolarHBondContact N-O 2.95Å; R26-I42 PolarHBondContact O-N 2.97Å; I42-V44 HydrophobicContact CG2-CG2 4.02Å; I42-E54 HydrophobicContact CG2-CB 3.9Å; I42-K55 CarbonylContact C-O 3.58Å; I42-K55 WeakPolarHBondContact CA-O 3.29Å; I42-I56 HydrophobicContact CG1-CG1 4.22Å; I42-I56 HydrophobicContact CG1-CG2 4.33Å; I42-I56 HydrophobicContact CG2-CG1 4.23Å |
| 43 | L | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122 | 173.8 | -62.9 | 169.8 | 0 | 0 | 0 | 109.1 | F10 K16 Y20 C23 L24 M25 W45 E54 K55 | F10-L43 HydrophobicContact CD2-CD1 4.27Å; F10-L43 HydrophobicContact CE1-CD1 4.26Å; F10-L43 HydrophobicContact CE2-CD1 3.47Å; F10-L43 VanDerWaalsContact CE2-CD1 3.47Å; F10-L43 HydrophobicContact CE2-CD2 4.09Å; F10-L43 HydrophobicContact CE2-CG 3.62Å; F10-L43 HydrophobicContact CZ-CD1 3.47Å; F10-L43 VanDerWaalsContact CZ-CD1 3.47Å; F10-L43 HydrophobicContact CZ-CG 3.63Å; K16-L43 HydrophobicContact CD-CD2 4.18Å; K16-L43 HydrophobicContact CG-CD2 3.98Å; Y20-L43 HydrophobicContact CD2-CD1 4.46Å; Y20-L43 HydrophobicContact CG-CD1 4.03Å; C23-L43 HydrophobicContact CB-CB 4.1Å; C23-L43 HydrophobicContact CB-CD2 4.35Å; L24-L43 CarbonylContact O-C 3.59Å; L24-L43 WeakPolarHBondContact O-CA 3.17Å; M25-L43 HydrophobicContact CB-CD2 4.21Å; M25-L43 HydrophobicContact CE-CD2 3.73Å; M25-L43 HydrophobicContact CG-CD2 4.19Å; L43-W45 WeakPolarHBondContact O-CZ3 3.5Å; L43-E54 CarbonylContact O-C 3.17Å; L43-E54 WeakPolarHBondContact O-CA 3.32Å; L43-K55 HydrophobicContact CB-CB 4.36Å; L43-K55 PolarHBondContact N-O 2.75Å; L43-K55 PolarHBondContact O-N 2.95Å |
| 44 | V | 89.1 | Confident | 87 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135 | -178.6 | -170.6 | 0 | 0 | 0 | 0 | 110 | L24 R26 I42 R53 | L24-V44 PolarHBondContact N-O 3.21Å; L24-V44 PolarHBondContact O-N 3.49Å; R26-V44 HydrophobicContact CG-CG2 4.49Å; I42-V44 HydrophobicContact CG2-CG2 4.02Å; V44-R53 WeakPolarHBondContact CA-O 3.31Å |
| 45 | W | 89.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.7 | 172.2 | 69.1 | 97 | 0 | 0 | 0 | 110.7 | Y20 C23 L43 R53 K55 | Y20-W45 HydrophobicContact CD1-CE3 4.5Å; Y20-W45 HydrophobicContact CD1-CH2 4.46Å; Y20-W45 HydrophobicContact CD1-CZ3 4.22Å; Y20-W45 AromaticContact CE1-CH2 3.93Å; Y20-W45 HydrophobicContact CE1-CH2 3.93Å; Y20-W45 HydrophobicContact CE1-CZ2 4.35Å; Y20-W45 HydrophobicContact CE1-CZ3 4.13Å; C23-W45 HydrophobicContact CB-CB 4.43Å; L43-W45 WeakPolarHBondContact O-CZ3 3.5Å; W45-R53 HydrophobicContact CD2-CB 3.81Å; W45-R53 HydrophobicContact CE3-CB 4.26Å; W45-R53 HydrophobicContact CG-CB 4.37Å; W45-R53 HydrophobicContact CH2-CB 3.9Å; W45-R53 HydrophobicContact CZ2-CB 3.42Å; W45-R53 VanDerWaalsContact CZ2-CB 3.42Å; W45-R53 HydrophobicContact CZ2-CG 4.11Å; W45-R53 HydrophobicContact CZ3-CB 4.3Å; W45-R53 PolarHBondContact N-O 3.44Å; W45-R53 PolarHBondContact O-N 2.95Å; W45-K55 HydrophobicContact CH2-CB 4.17Å; W45-K55 HydrophobicContact CZ3-CB 3.9Å |
| 46 | S | 82.8 | Confident | 87.2 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.5 | 168.8 | -48 | 0 | 0 | 0 | 0 | 108.7 | E51 D52 | S46-E51 CarbonylContact C-O 3.58Å; S46-E51 WeakPolarHBondContact CA-O 3.49Å; S46-D52 PolarHBondContact OG-OD1 3.37Å |
| 47 | D | 81.7 | Confident | 87.4 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | trans | -73.8 | -178.7 | 174.1 | 74 | 20.9 | 0 | 0 | 0 | 111.6 | N49 G50 E51 R53 | D47-N49 PolarHBondContact O-N 3.03Å; D47-N49 VanDerWaalsContact O-N 3.09Å; D47-N49 WeakPolarHBondContact OD1-CA 3.49Å; D47-N49 WeakPolarHBondContact OD1-CB 3.36Å; D47-N49 PolarHBondContact OD1-N 2.93Å; D47-G50 PolarHBondContact O-N 3.43Å; D47-G50 PolarHBondContact OD1-N 3.39Å; D47-E51 PolarHBondContact N-O 3.46Å; D47-E51 PolarHBondContact OD1-N 3.15Å; D47-E51 VanDerWaalsContact OD1-N 3.16Å; D47-R53 HydrophobicContact CB-CG 3.98Å; D47-R53 IonicContact OD2-CZ 2.77Å; D47-R53 IonicContact OD2-NE 3.19Å; D47-R53 PolarHBondContact OD2-NE 3.44Å; D47-R53 IonicContact OD2-NH2 3.5Å; D47-R53 PolarHBondContact OD2-NH2 2.99Å | ||
| 48 | R | 82 | Confident | 87.5 | Confident | 255 Ų | 255 | 71 Ų | 71 | 96% | 0.962 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.2 | -177.1 | -64.4 | -175 | -176.1 | -174.3 | 1.9 | 113.6 | ||
| 49 | N | 81.4 | Confident | 87.5 | Confident | 130 Ų | 130 | 69.2 Ų | 69.2 | 70% | 0.695 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.6 | 178.6 | -59 | -26.7 | 0 | 0 | 0 | 112.3 | D47 E51 | D47-N49 PolarHBondContact O-N 3.03Å; D47-N49 VanDerWaalsContact O-N 3.09Å; D47-N49 WeakPolarHBondContact OD1-CA 3.49Å; D47-N49 WeakPolarHBondContact OD1-CB 3.36Å; D47-N49 PolarHBondContact OD1-N 2.93Å; N49-E51 VanDerWaalsContact C-N 3.27Å; N49-E51 HydrophobicContact CB-CG 4.3Å |
| 50 | G | 79.1 | Confident | 87.6 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 76.4 | 12.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D47 | D47-G50 PolarHBondContact O-N 3.43Å; D47-G50 PolarHBondContact OD1-N 3.39Å |
| 51 | E | 81.8 | Confident | 87.6 | Confident | 102 Ų | 102 | 70 Ų | 70 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | trans | -80.4 | 130.1 | 172.6 | -62.7 | -177.4 | 170.1 | 0 | 0 | 109.5 | S46 D47 N49 R53 | S46-E51 CarbonylContact C-O 3.58Å; S46-E51 WeakPolarHBondContact CA-O 3.49Å; D47-E51 PolarHBondContact N-O 3.46Å; D47-E51 PolarHBondContact OD1-N 3.15Å; D47-E51 VanDerWaalsContact OD1-N 3.16Å; N49-E51 VanDerWaalsContact C-N 3.27Å; N49-E51 HydrophobicContact CB-CG 4.3Å; E51-R53 PolarHBondContact O-N 2.69Å; E51-R53 IonicContact OE2-CZ 3.13Å; E51-R53 IonicContact OE2-NH2 2.73Å; E51-R53 PolarHBondContact OE2-NH2 3.12Å | ||
| 52 | D | 84.6 | Confident | 87.5 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 122.5 | 174 | -71.9 | -23 | 0 | 0 | 0 | 110 | S46 | S46-D52 PolarHBondContact OG-OD1 3.37Å |
| 53 | R | 89.3 | Confident | 87.5 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.5 | 174.6 | -63 | -70.4 | -178.8 | -168.8 | -13.7 | 109.8 | V44 W45 D47 E51 | V44-R53 WeakPolarHBondContact CA-O 3.31Å; W45-R53 HydrophobicContact CD2-CB 3.81Å; W45-R53 HydrophobicContact CE3-CB 4.26Å; W45-R53 HydrophobicContact CG-CB 4.37Å; W45-R53 HydrophobicContact CH2-CB 3.9Å; W45-R53 HydrophobicContact CZ2-CB 3.42Å; W45-R53 VanDerWaalsContact CZ2-CB 3.42Å; W45-R53 HydrophobicContact CZ2-CG 4.11Å; W45-R53 HydrophobicContact CZ3-CB 4.3Å; W45-R53 PolarHBondContact N-O 3.44Å; W45-R53 PolarHBondContact O-N 2.95Å; D47-R53 HydrophobicContact CB-CG 3.98Å; D47-R53 IonicContact OD2-CZ 2.77Å; D47-R53 IonicContact OD2-NE 3.19Å; D47-R53 PolarHBondContact OD2-NE 3.44Å; D47-R53 IonicContact OD2-NH2 3.5Å; D47-R53 PolarHBondContact OD2-NH2 2.99Å; E51-R53 PolarHBondContact O-N 2.69Å; E51-R53 IonicContact OE2-CZ 3.13Å; E51-R53 IonicContact OE2-NH2 2.73Å; E51-R53 PolarHBondContact OE2-NH2 3.12Å |
| 54 | E | 89.1 | Confident | 87.5 | Confident | 125 Ų | 125 | 72.8 Ų | 72.8 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.6 | 174.4 | 62.8 | -178.3 | -159.3 | 0 | 0 | 113.2 | I42 L43 | I42-E54 HydrophobicContact CG2-CB 3.9Å; L43-E54 CarbonylContact O-C 3.17Å; L43-E54 WeakPolarHBondContact O-CA 3.32Å |
| 55 | K | 89.7 | Confident | 87.5 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.5 | 167.7 | 174.7 | 174.6 | 177.7 | 172.1 | 0 | 108.3 | E7 F10 Y20 I42 L43 W45 | E7-K55 IonicContact OE1-NZ 3.94Å; E7-K55 PolarHBondContact OE1-NZ 3.4Å; F10-K55 HydrophobicContact CE1-CG 4.46Å; Y20-K55 HydrophobicContact CD2-CD 4.27Å; Y20-K55 HydrophobicContact CE1-CD 4.24Å; Y20-K55 HydrophobicContact CE2-CD 3.74Å; I42-K55 CarbonylContact C-O 3.58Å; I42-K55 WeakPolarHBondContact CA-O 3.29Å; L43-K55 HydrophobicContact CB-CB 4.36Å; L43-K55 PolarHBondContact N-O 2.75Å; L43-K55 PolarHBondContact O-N 2.95Å; W45-K55 HydrophobicContact CH2-CB 4.17Å; W45-K55 HydrophobicContact CZ3-CB 3.9Å |
| 56 | I | 90.2 | Very high | 87.5 | Confident | 79 Ų | 79 | 74.8 Ų | 74.8 | 41% | 0.405 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.9 | -177.7 | -53.2 | 175.9 | 0 | 0 | 0 | 108.6 | T40 I42 | T40-I56 HydrophobicContact CG2-CG2 3.75Å; I42-I56 HydrophobicContact CG1-CG1 4.22Å; I42-I56 HydrophobicContact CG1-CG2 4.33Å; I42-I56 HydrophobicContact CG2-CG1 4.23Å |
| 57 | S | 91.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 140 | 174.5 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | Y38 T40 H41 | Y38-S57 PolarHBondContact OH-O 2.94Å; Y38-S57 VanDerWaalsContact OH-O 3.14Å; T40-S57 WeakPolarHBondContact CA-OG 3.41Å; H41-S57 PolarHBondContact N-OG 3.44Å; H41-S57 PolarHBondContact O-N 3.31Å |
| 58 | C | 90.9 | Very high | 88.1 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 46% | 0.459 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 169.3 | 171.1 | -67.2 | 0 | 0 | 0 | 0 | 111 | A11 Y38 L63 | A11-C58 WeakPolarHBondContact CB-O 3.15Å; Y38-C58 VanDerWaalsContact CE2-C 3.48Å; Y38-C58 WeakPolarHBondContact CE2-O 3.42Å; C58-L63 HydrophobicContact CB-CD1 4.1Å; C58-L63 HydrophobicContact CB-CD2 4.29Å; C58-L63 HydrophobicContact CB-CG 4.21Å |
| 59 | C | 91.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 124.2 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | C32 H35 Y38 D61 C62 L63 | C32-C59 HydrophobicContact CB-CB 3.86Å; H35-C59 PolarHBondContact ND1-SG 2.89Å; H35-C59 VanDerWaalsContact ND1-SG 3.43Å; Y38-C59 HydrophobicContact CD1-CB 4Å; Y38-C59 HydrophobicContact CD2-CB 4.17Å; Y38-C59 HydrophobicContact CE1-CB 3.9Å; Y38-C59 VanDerWaalsContact CE2-CA 3.45Å; Y38-C59 HydrophobicContact CE2-CB 4.07Å; Y38-C59 HydrophobicContact CG-CB 4.15Å; C59-D61 VanDerWaalsContact C-N 3.3Å; C59-D61 PolarHBondContact O-N 3.06Å; C59-C62 HydrophobicContact CB-CB 4.14Å; C59-C62 PolarHBondContact O-N 3.16Å; C59-L63 WeakPolarHBondContact O-CG 3.42Å; C59-L63 PolarHBondContact O-N 2.97Å |
| 60 | P | 90.7 | Very high | 88.6 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -36.3 | -177.5 | 23.4 | -32.4 | 0 | 0 | 0 | 112.5 | A11 Q12 C62 L63 I64 | A11-P60 HydrophobicContact CB-CB 4.1Å; Q12-P60 HydrophobicContact CG-CB 3.68Å; P60-C62 PolarHBondContact O-N 2.84Å; P60-L63 PolarHBondContact O-N 2.83Å; P60-I64 VanDerWaalsContact O-CG1 3.27Å; P60-I64 WeakPolarHBondContact O-CG1 3.39Å; P60-I64 PolarHBondContact O-N 2.86Å |
| 61 | D | 90.1 | Very high | 88.9 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 179.6 | -58.6 | -50.4 | 0 | 0 | 0 | 112.2 | C59 I64 A65 | C59-D61 VanDerWaalsContact C-N 3.3Å; C59-D61 PolarHBondContact O-N 3.06Å; D61-I64 PolarHBondContact O-N 3.43Å; D61-A65 WeakPolarHBondContact O-CB 3.43Å; D61-A65 PolarHBondContact O-N 2.85Å |
| 62 | C | 91 | Very high | 89 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 25% | 0.25 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 172.3 | -76.7 | 0 | 0 | 0 | 0 | 111.8 | C32 H35 C59 P60 A65 E66 | C32-C62 PolarHBondContact SG-SG 2.75Å; H35-C62 PolarHBondContact CE1-N 3.45Å; H35-C62 PolarHBondContact CE1-SG 2.65Å; H35-C62 PolarHBondContact ND1-SG 2.95Å; C59-C62 HydrophobicContact CB-CB 4.14Å; C59-C62 PolarHBondContact O-N 3.16Å; P60-C62 PolarHBondContact O-N 2.84Å; C62-A65 PolarHBondContact O-N 3.13Å; C62-E66 PolarHBondContact O-N 2.79Å |
| 63 | L | 91.3 | Very high | 89 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 180 | -66.3 | 171.9 | 0 | 0 | 0 | 111.9 | E7 I8 A11 C58 C59 P60 E66 A67 | E7-L63 HydrophobicContact CB-CD1 4.23Å; I8-L63 HydrophobicContact CD1-CB 4.34Å; I8-L63 HydrophobicContact CG1-CB 3.55Å; I8-L63 HydrophobicContact CG1-CD1 4.36Å; A11-L63 HydrophobicContact CB-CD1 3.84Å; C58-L63 HydrophobicContact CB-CD1 4.1Å; C58-L63 HydrophobicContact CB-CD2 4.29Å; C58-L63 HydrophobicContact CB-CG 4.21Å; C59-L63 WeakPolarHBondContact O-CG 3.42Å; C59-L63 PolarHBondContact O-N 2.97Å; P60-L63 PolarHBondContact O-N 2.83Å; L63-E66 PolarHBondContact O-N 2.74Å; L63-A67 WeakPolarHBondContact O-CB 3.32Å; L63-A67 PolarHBondContact O-N 3.24Å |
| 64 | I | 89.9 | Confident | 88.9 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 174.8 | -67.2 | 164.7 | 0 | 0 | 0 | 110.9 | I8 P60 D61 A67 N68 | I8-I64 HydrophobicContact CG2-CG1 4.44Å; P60-I64 VanDerWaalsContact O-CG1 3.27Å; P60-I64 WeakPolarHBondContact O-CG1 3.39Å; P60-I64 PolarHBondContact O-N 2.86Å; D61-I64 PolarHBondContact O-N 3.43Å; I64-A67 WeakPolarHBondContact O-CB 3.38Å; I64-A67 PolarHBondContact O-N 3.03Å; I64-N68 VanDerWaalsContact O-CG 3.32Å; I64-N68 PolarHBondContact O-N 2.97Å; I64-N68 PolarHBondContact O-ND2 3.26Å |
| 65 | A | 89.4 | Confident | 88.8 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D61 C62 A67 N68 D69 | D61-A65 WeakPolarHBondContact O-CB 3.43Å; D61-A65 PolarHBondContact O-N 2.85Å; C62-A65 PolarHBondContact O-N 3.13Å; A65-A67 VanDerWaalsContact C-N 3.31Å; A65-A67 PolarHBondContact O-N 2.92Å; A65-N68 PolarHBondContact O-N 3.48Å; A65-D69 PolarHBondContact O-N 3.37Å |
| 66 | E | 90.4 | Very high | 88.6 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 175.2 | -174 | 178.6 | 177.4 | 0 | 0 | 112.4 | L4 C62 L63 D69 L70 | L4-E66 HydrophobicContact CD1-CG 4.11Å; L4-E66 HydrophobicContact CD2-CB 4.2Å; L4-E66 HydrophobicContact CD2-CG 4.09Å; C62-E66 PolarHBondContact O-N 2.79Å; L63-E66 PolarHBondContact O-N 2.74Å; E66-D69 PolarHBondContact O-N 2.92Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 PolarHBondContact O-N 2.96Å |
| 67 | A | 87.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L4 I8 L63 I64 A65 T71 | L4-A67 VanDerWaalsContact CD2-CA 3.48Å; L4-A67 HydrophobicContact CD2-CB 3.62Å; I8-A67 HydrophobicContact CD1-CB 3.92Å; L63-A67 WeakPolarHBondContact O-CB 3.32Å; L63-A67 PolarHBondContact O-N 3.24Å; I64-A67 WeakPolarHBondContact O-CB 3.38Å; I64-A67 PolarHBondContact O-N 3.03Å; A65-A67 VanDerWaalsContact C-N 3.31Å; A65-A67 PolarHBondContact O-N 2.92Å; A67-T71 WeakPolarHBondContact O-CB 3.47Å; A67-T71 PolarHBondContact O-N 2.84Å; A67-T71 PolarHBondContact O-OG1 3Å |
| 68 | N | 88.1 | Confident | 88.4 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 178.1 | -70.8 | -23.9 | 0 | 0 | 0 | 110.7 | I64 A65 L70 T71 M72 | I64-N68 VanDerWaalsContact O-CG 3.32Å; I64-N68 PolarHBondContact O-N 2.97Å; I64-N68 PolarHBondContact O-ND2 3.26Å; A65-N68 PolarHBondContact O-N 3.48Å; N68-L70 PolarHBondContact O-N 3.44Å; N68-T71 PolarHBondContact O-N 2.99Å; N68-M72 WeakPolarHBondContact O-CG 3.45Å; N68-M72 PolarHBondContact O-N 3.18Å |
| 69 | D | 87.3 | Confident | 88.3 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.1 | -48 | 176.2 | -70.4 | -16.2 | 0 | 0 | 0 | 111 | A65 E66 T71 M72 E73 | A65-D69 PolarHBondContact O-N 3.37Å; E66-D69 PolarHBondContact O-N 2.92Å; D69-T71 VanDerWaalsContact C-N 3.32Å; D69-T71 PolarHBondContact O-N 3.31Å; D69-M72 WeakPolarHBondContact O-CB 3.05Å; D69-M72 PolarHBondContact O-N 3.23Å; D69-E73 PolarHBondContact O-N 2.95Å |
| 70 | L | 86.7 | Confident | 88.2 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 178.6 | -169.5 | 61.7 | 0 | 0 | 0 | 112.5 | M1 E66 N68 E73 L74 | M1-L70 HydrophobicContact CG-CD2 3.97Å; M1-L70 HydrophobicContact CG-CG 4.39Å; M1-L70 HydrophobicContact SD-CB 3.99Å; M1-L70 HydrophobicContact SD-CD2 3.46Å; M1-L70 WeakPolarHBondContact SD-CD2 3.32Å; M1-L70 HydrophobicContact SD-CG 3.8Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 PolarHBondContact O-N 2.96Å; N68-L70 PolarHBondContact O-N 3.44Å; L70-E73 PolarHBondContact O-N 2.98Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.31Å |
| 71 | T | 85.6 | Confident | 88.2 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | M1 A67 N68 D69 S75 | M1-T71 WeakPolarHBondContact CE-OG1 3.34Å; A67-T71 WeakPolarHBondContact O-CB 3.47Å; A67-T71 PolarHBondContact O-N 2.84Å; A67-T71 PolarHBondContact O-OG1 3Å; N68-T71 PolarHBondContact O-N 2.99Å; D69-T71 VanDerWaalsContact C-N 3.32Å; D69-T71 PolarHBondContact O-N 3.31Å; T71-S75 WeakPolarHBondContact O-CB 3.36Å; T71-S75 PolarHBondContact O-N 3.13Å; T71-S75 PolarHBondContact O-OG 3.39Å |
| 72 | M | 84.1 | Confident | 88.3 | Confident | 133 Ų | 133 | 72.3 Ų | 72.3 | 66% | 0.655 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 173.5 | -72.3 | 178.6 | 61.1 | 0 | 0 | 111.4 | N68 D69 S75 S76 | N68-M72 WeakPolarHBondContact O-CG 3.45Å; N68-M72 PolarHBondContact O-N 3.18Å; D69-M72 WeakPolarHBondContact O-CB 3.05Å; D69-M72 PolarHBondContact O-N 3.23Å; M72-S75 PolarHBondContact O-N 3.19Å; M72-S76 PolarHBondContact O-N 2.91Å |
| 73 | E | 85.5 | Confident | 88.2 | Confident | 118 Ų | 118 | 71.9 Ų | 71.9 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 176.7 | -168.9 | 176.7 | -169.4 | 0 | 0 | 111.8 | D69 L70 S75 S76 I77 | D69-E73 PolarHBondContact O-N 2.95Å; L70-E73 PolarHBondContact O-N 2.98Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 2.86Å; E73-S76 WeakPolarHBondContact O-CB 3.45Å; E73-S76 PolarHBondContact O-N 3.15Å; E73-I77 HydrophobicContact CG-CD1 4.26Å; E73-I77 WeakPolarHBondContact O-CG1 3.3Å; E73-I77 PolarHBondContact O-N 3.11Å |
| 74 | L | 86.3 | Confident | 88.1 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 175.9 | -73.7 | 171.7 | 0 | 0 | 0 | 112.7 | M1 L70 K78 | M1-L74 HydrophobicContact CG-CD1 3.91Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.31Å; L74-K78 WeakPolarHBondContact O-CB 3.5Å; L74-K78 PolarHBondContact O-N 3.13Å |
| 75 | S | 86.2 | Confident | 88.1 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 33% | 0.329 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | T71 M72 E73 K78 A79 | T71-S75 WeakPolarHBondContact O-CB 3.36Å; T71-S75 PolarHBondContact O-N 3.13Å; T71-S75 PolarHBondContact O-OG 3.39Å; M72-S75 PolarHBondContact O-N 3.19Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 2.86Å; S75-K78 PolarHBondContact O-N 3.09Å; S75-A79 WeakPolarHBondContact O-CB 3.3Å; S75-A79 PolarHBondContact O-N 3.22Å |
| 76 | S | 85.9 | Confident | 88.3 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | M72 E73 K78 A79 E80 | M72-S76 PolarHBondContact O-N 2.91Å; E73-S76 WeakPolarHBondContact O-CB 3.45Å; E73-S76 PolarHBondContact O-N 3.15Å; S76-K78 VanDerWaalsContact C-N 3.32Å; S76-K78 PolarHBondContact O-N 3.38Å; S76-A79 PolarHBondContact O-N 2.94Å; S76-E80 WeakPolarHBondContact O-CG 2.94Å; S76-E80 PolarHBondContact O-N 2.75Å |
| 77 | I | 87.7 | Confident | 88.3 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.8 | -67 | 165.7 | 0 | 0 | 0 | 110.5 | E73 A79 E80 E81 | E73-I77 HydrophobicContact CG-CD1 4.26Å; E73-I77 WeakPolarHBondContact O-CG1 3.3Å; E73-I77 PolarHBondContact O-N 3.11Å; I77-A79 PolarHBondContact O-N 3.43Å; I77-E80 PolarHBondContact O-N 2.89Å; I77-E81 PolarHBondContact O-N 3.01Å |
| 78 | K | 89.1 | Confident | 88.4 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 177.9 | -170.9 | 173.8 | 179.1 | -173.4 | 0 | 112.2 | L74 S75 S76 E81 L82 L157 | L74-K78 WeakPolarHBondContact O-CB 3.5Å; L74-K78 PolarHBondContact O-N 3.13Å; S75-K78 PolarHBondContact O-N 3.09Å; S76-K78 VanDerWaalsContact C-N 3.32Å; S76-K78 PolarHBondContact O-N 3.38Å; K78-E81 PolarHBondContact O-N 2.94Å; K78-L82 HydrophobicContact CG-CD1 4.21Å; K78-L82 WeakPolarHBondContact O-CB 3.47Å; K78-L82 VanDerWaalsContact O-CG 3.29Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.46Å; K78-L157 HydrophobicContact CB-CD2 4.31Å; K78-L157 HydrophobicContact CD-CD1 4.39Å; K78-L157 HydrophobicContact CG-CD2 4.39Å |
| 79 | A | 89.9 | Confident | 88.3 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S75 S76 I77 T83 I153 L157 | S75-A79 WeakPolarHBondContact O-CB 3.3Å; S75-A79 PolarHBondContact O-N 3.22Å; S76-A79 PolarHBondContact O-N 2.94Å; I77-A79 PolarHBondContact O-N 3.43Å; A79-T83 WeakPolarHBondContact O-CB 3.44Å; A79-T83 PolarHBondContact O-N 3.27Å; A79-T83 PolarHBondContact O-OG1 3.38Å; A79-I153 HydrophobicContact CB-CG2 4.39Å; A79-I153 WeakPolarHBondContact O-CG2 3.39Å; A79-L157 HydrophobicContact CB-CD2 3.91Å |
| 80 | E | 89.1 | Confident | 88.1 | Confident | 123 Ų | 123 | 73.6 Ų | 73.6 | 58% | 0.575 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.9 | -48.8 | 173.8 | -74.5 | 178.5 | -177.6 | 0 | 0 | 111.5 | S76 I77 L82 T83 D84 | S76-E80 WeakPolarHBondContact O-CG 2.94Å; S76-E80 PolarHBondContact O-N 2.75Å; I77-E80 PolarHBondContact O-N 2.89Å; E80-L82 PolarHBondContact O-N 3.4Å; E80-T83 PolarHBondContact O-N 3.39Å; E80-T83 VanDerWaalsContact O-N 3.14Å; E80-D84 PolarHBondContact O-N 2.81Å |
| 81 | E | 89.8 | Confident | 87.8 | Confident | 119 Ų | 119 | 79.6 Ų | 79.6 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.5 | -45.4 | 177.5 | -176.1 | -177.6 | -176.6 | 0 | 0 | 112.2 | I77 K78 D84 N85 | I77-E81 PolarHBondContact O-N 3.01Å; K78-E81 PolarHBondContact O-N 2.94Å; E81-D84 PolarHBondContact O-N 2.77Å; E81-N85 WeakPolarHBondContact O-CB 3.46Å; E81-N85 PolarHBondContact O-N 2.94Å; E81-N85 VanDerWaalsContact O-N 3.1Å; E81-N85 PolarHBondContact O-ND2 3.25Å |
| 82 | L | 92 | Very high | 87.9 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 18% | 0.178 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.3 | -73.4 | 172.5 | 0 | 0 | 0 | 111.8 | K78 E80 N85 A86 I153 L157 | K78-L82 HydrophobicContact CG-CD1 4.21Å; K78-L82 WeakPolarHBondContact O-CB 3.47Å; K78-L82 VanDerWaalsContact O-CG 3.29Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.46Å; E80-L82 PolarHBondContact O-N 3.4Å; L82-N85 PolarHBondContact O-N 3.2Å; L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 3.1Å; L82-I153 HydrophobicContact CB-CG1 4.46Å; L82-I153 HydrophobicContact CB-CG2 3.53Å; L82-I153 HydrophobicContact CD1-CG2 4.28Å; L82-L157 HydrophobicContact CD1-CB 4.37Å; L82-L157 WeakPolarHBondContact CD1-O 3.43Å |
| 83 | T | 90.7 | Very high | 88 | Confident | 29 Ų | 29 | 79.1 Ų | 79.1 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | A79 E80 N85 A86 I88 | A79-T83 WeakPolarHBondContact O-CB 3.44Å; A79-T83 PolarHBondContact O-N 3.27Å; A79-T83 PolarHBondContact O-OG1 3.38Å; E80-T83 PolarHBondContact O-N 3.39Å; E80-T83 VanDerWaalsContact O-N 3.14Å; T83-N85 VanDerWaalsContact C-N 3.31Å; T83-N85 PolarHBondContact O-N 2.89Å; T83-A86 WeakPolarHBondContact O-CB 3.34Å; T83-A86 PolarHBondContact O-N 3.35Å; T83-I88 HydrophobicContact CG2-CD1 4.12Å |
| 84 | D | 88.5 | Confident | 88.1 | Confident | 124 Ų | 124 | 79.5 Ų | 79.5 | 66% | 0.663 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.3 | -34.7 | 176.7 | -80.8 | -16 | 0 | 0 | 0 | 112 | E80 E81 A86 | E80-D84 PolarHBondContact O-N 2.81Å; E81-D84 PolarHBondContact O-N 2.77Å; D84-A86 VanDerWaalsContact C-N 3.35Å |
| 85 | N | 89.9 | Confident | 88.2 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -81.9 | -8.8 | 177.1 | -71.6 | -42.9 | 0 | 0 | 0 | 114.2 | E81 L82 T83 G87 | E81-N85 WeakPolarHBondContact O-CB 3.46Å; E81-N85 PolarHBondContact O-N 2.94Å; E81-N85 VanDerWaalsContact O-N 3.1Å; E81-N85 PolarHBondContact O-ND2 3.25Å; L82-N85 PolarHBondContact O-N 3.2Å; T83-N85 VanDerWaalsContact C-N 3.31Å; T83-N85 PolarHBondContact O-N 2.89Å; N85-G87 PolarHBondContact O-N 3.17Å; N85-G87 VanDerWaalsContact O-N 3.12Å |
| 86 | A | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 3.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L82 T83 D84 I88 I153 V160 I162 | L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 3.1Å; T83-A86 WeakPolarHBondContact O-CB 3.34Å; T83-A86 PolarHBondContact O-N 3.35Å; D84-A86 VanDerWaalsContact C-N 3.35Å; A86-I88 VanDerWaalsContact C-N 3.27Å; A86-I88 HydrophobicContact CB-CD1 4.2Å; A86-I88 HydrophobicContact CB-CG1 4.19Å; A86-I88 PolarHBondContact O-N 3.32Å; A86-I153 HydrophobicContact CB-CD1 3.75Å; A86-V160 WeakPolarHBondContact CA-O 3.1Å; A86-V160 WeakPolarHBondContact CB-O 3.49Å; A86-I162 WeakPolarHBondContact O-CB 3.43Å; A86-I162 WeakPolarHBondContact O-CG1 3.33Å; A86-I162 PolarHBondContact O-N 3.01Å |
| 87 | G | 90.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 15.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N85 A89 | N85-G87 PolarHBondContact O-N 3.17Å; N85-G87 VanDerWaalsContact O-N 3.12Å; G87-A89 PolarHBondContact O-N 3.49Å |
| 88 | I | 91.7 | Very high | 89 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.169 | 38% | 0.378 | C | S | . | . | trans | -68.4 | 115.1 | 179.9 | -59.3 | 167.1 | 0 | 0 | 0 | 109.9 | T83 A86 F92 V146 K150 I162 | T83-I88 HydrophobicContact CG2-CD1 4.12Å; A86-I88 VanDerWaalsContact C-N 3.27Å; A86-I88 HydrophobicContact CB-CD1 4.2Å; A86-I88 HydrophobicContact CB-CG1 4.19Å; A86-I88 PolarHBondContact O-N 3.32Å; I88-F92 HydrophobicContact CG2-CB 4.2Å; I88-V146 HydrophobicContact CD1-CG1 4.16Å; I88-V146 HydrophobicContact CG1-CG1 4.31Å; I88-V146 HydrophobicContact CG2-CG1 3.8Å; I88-V146 HydrophobicContact CG2-CG2 4.19Å; I88-K150 HydrophobicContact CD1-CG 3.99Å; I88-I162 HydrophobicContact CG1-CD1 3.95Å | ||
| 89 | A | 85.4 | Confident | 88.9 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | trans | -62 | 142.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | G87 R91 F92 R93 | G87-A89 PolarHBondContact O-N 3.49Å; A89-R91 HydrophobicContact CB-CG 4.34Å; A89-R91 PolarHBondContact O-N 2.95Å; A89-F92 HydrophobicContact CB-CD2 4.04Å; A89-F92 PolarHBondContact O-N 3.43Å; A89-R93 PolarHBondContact O-N 2.69Å | ||
| 90 | L | 82.2 | Confident | 88.8 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 71% | 0.707 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -50.3 | -34.5 | -175.4 | -165.2 | 72.7 | 0 | 0 | 0 | 113.8 | F92 R93 | L90-F92 PolarHBondContact O-N 3Å; L90-R93 VanDerWaalsContact O-CB 3.28Å; L90-R93 WeakPolarHBondContact O-CB 3.42Å; L90-R93 PolarHBondContact O-N 3.22Å |
| 91 | R | 80.6 | Confident | 88.5 | Confident | 180 Ų | 180 | 72.8 Ų | 72.8 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -66.8 | -17.1 | 177.8 | 71.7 | -177.7 | -179 | -139.3 | 0.2 | 115 | A89 | A89-R91 HydrophobicContact CB-CG 4.34Å; A89-R91 PolarHBondContact O-N 2.95Å |
| 92 | F | 88.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 17% | 0.167 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -110.5 | 6.2 | 178.6 | -55.7 | -57.1 | 0 | 0 | 0 | 112 | I88 A89 L90 D94 C95 N142 V146 | I88-F92 HydrophobicContact CG2-CB 4.2Å; A89-F92 HydrophobicContact CB-CD2 4.04Å; A89-F92 PolarHBondContact O-N 3.43Å; L90-F92 PolarHBondContact O-N 3Å; F92-D94 PolarHBondContact O-N 3.25Å; F92-D94 VanDerWaalsContact O-N 3.09Å; F92-C95 WeakPolarHBondContact O-CB 3.36Å; F92-C95 PolarHBondContact O-N 3.3Å; F92-N142 HydrophobicContact CE1-CB 4.04Å; F92-N142 HydrophobicContact CE2-CB 3.96Å; F92-N142 HydrophobicContact CZ-CB 3.66Å; F92-V146 HydrophobicContact CB-CB 4.49Å; F92-V146 HydrophobicContact CB-CG1 4.37Å; F92-V146 HydrophobicContact CB-CG2 3.91Å; F92-V146 HydrophobicContact CG-CG2 4.43Å; F92-V146 WeakPolarHBondContact O-CG1 3.2Å |
| 93 | R | 86 | Confident | 87.6 | Confident | 148 Ų | 148 | 74 Ų | 74 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.9 | -179.3 | 176.1 | 177.6 | -86 | -169.9 | -8.6 | 112.6 | A89 L90 K150 | A89-R93 PolarHBondContact O-N 2.69Å; L90-R93 VanDerWaalsContact O-CB 3.28Å; L90-R93 WeakPolarHBondContact O-CB 3.42Å; L90-R93 PolarHBondContact O-N 3.22Å; R93-K150 VanDerWaalsContact O-CE 3.31Å; R93-K150 WeakPolarHBondContact O-CE 3.34Å; R93-K150 PolarHBondContact O-NZ 3.32Å |
| 94 | D | 87.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 74.6 Ų | 74.6 | 67% | 0.674 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.4 | -177.9 | -55.9 | -35.4 | 0 | 0 | 0 | 113.3 | F92 E96 N99 | F92-D94 PolarHBondContact O-N 3.25Å; F92-D94 VanDerWaalsContact O-N 3.09Å; D94-E96 PolarHBondContact O-N 2.7Å; D94-N99 PolarHBondContact O-ND2 3.26Å |
| 95 | C | 89.3 | Confident | 87.2 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 10% | 0.095 | 38% | 0.38 | C | S | . | . | trans | -65.7 | 125.1 | -179.8 | -70.8 | 0 | 0 | 0 | 0 | 111 | F92 H143 V146 K150 | F92-C95 WeakPolarHBondContact O-CB 3.36Å; F92-C95 PolarHBondContact O-N 3.3Å; C95-H143 VanDerWaalsContact SG-CG 3.6Å; C95-V146 HydrophobicContact CB-CB 4.19Å; C95-V146 HydrophobicContact CB-CG1 3.97Å; C95-K150 WeakPolarHBondContact O-CD 3.48Å; C95-K150 PolarHBondContact O-NZ 3.32Å | ||
| 96 | E | 91.8 | Very high | 87.1 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | trans | -137.3 | 165.3 | 176.8 | -62.5 | -63.3 | 161.9 | 0 | 0 | 108.9 | D94 D98 N99 Y100 H143 K150 R154 | D94-E96 PolarHBondContact O-N 2.7Å; E96-D98 PolarHBondContact O-N 2.92Å; E96-N99 PolarHBondContact N-OD1 3.06Å; E96-N99 PolarHBondContact O-OD1 2.96Å; E96-Y100 PolarHBondContact O-N 3.33Å; E96-H143 PolarHBondContact O-NE2 3.48Å; E96-K150 WeakPolarHBondContact OE1-CD 3.41Å; E96-K150 IonicContact OE1-NZ 3.83Å; E96-K150 PolarHBondContact OE1-NZ 2.88Å; E96-R154 IonicContact OE1-CZ 2.73Å; E96-R154 VanDerWaalsContact OE1-CZ 3.31Å; E96-R154 IonicContact OE1-NH1 2.63Å; E96-R154 PolarHBondContact OE1-NH1 3.28Å; E96-R154 IonicContact OE1-NH2 3.95Å; E96-R154 PolarHBondContact OE1-NH2 2.78Å; E96-R154 IonicContact OE2-CZ 2.64Å; E96-R154 IonicContact OE2-NH1 2.72Å; E96-R154 PolarHBondContact OE2-NH1 3.21Å | ||
| 97 | F | 93.1 | Very high | 87 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -63.3 | -35.2 | 174.8 | -71.6 | -62 | 0 | 0 | 0 | 112.2 | N99 Y100 L111 C114 R115 A118 L144 A147 M148 H151 | F97-N99 VanDerWaalsContact C-N 3.3Å; F97-N99 PolarHBondContact O-N 3.29Å; F97-Y100 WeakPolarHBondContact O-CB 3.44Å; F97-Y100 PolarHBondContact O-N 3.01Å; F97-L111 HydrophobicContact CB-CD1 4.38Å; F97-L111 HydrophobicContact CD1-CD1 3.67Å; F97-L111 HydrophobicContact CE1-CD1 4.46Å; F97-L111 HydrophobicContact CG-CD1 4.49Å; F97-C114 HydrophobicContact CE1-CB 3.99Å; F97-R115 HydrophobicContact CD1-CB 4.46Å; F97-R115 HydrophobicContact CE1-CB 4.3Å; F97-R115 HydrophobicContact CZ-CB 4.41Å; F97-A118 HydrophobicContact CE2-CB 3.96Å; F97-A118 HydrophobicContact CZ-CB 3.91Å; F97-L144 HydrophobicContact CD1-CD2 4.31Å; F97-L144 HydrophobicContact CE1-CD2 4.47Å; F97-A147 HydrophobicContact CD1-CB 3.72Å; F97-A147 HydrophobicContact CD2-CB 4.25Å; F97-A147 HydrophobicContact CE1-CB 3.91Å; F97-A147 HydrophobicContact CE2-CB 4.42Å; F97-A147 HydrophobicContact CG-CB 3.91Å; F97-A147 HydrophobicContact CZ-CB 4.27Å; F97-M148 HydrophobicContact CE1-CG 4.04Å; F97-M148 HydrophobicContact CZ-CB 4.32Å; F97-M148 HydrophobicContact CZ-CG 3.62Å; F97-H151 HydrophobicContact CD2-CB 4.37Å; F97-H151 HydrophobicContact CE2-CB 3.76Å; F97-H151 AromaticContact CE2-CG 3.99Å |
| 98 | D | 90.3 | Very high | 86.9 | Confident | 139 Ų | 139 | 72.3 Ų | 72.3 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -77 | -16.6 | -172.9 | -57.7 | -22.4 | 0 | 0 | 0 | 113.4 | E96 R115 | E96-D98 PolarHBondContact O-N 2.92Å; D98-R115 IonicContact OD1-CZ 3.73Å; D98-R115 IonicContact OD1-NH1 2.84Å; D98-R115 IonicContact OD1-NH2 3.18Å; D98-R115 PolarHBondContact OD1-NH2 3.3Å |
| 99 | N | 88.8 | Confident | 87 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -106.6 | 11.1 | 173.6 | 71.7 | 9.4 | 0 | 0 | 0 | 113.3 | D94 E96 F97 H143 | D94-N99 PolarHBondContact O-ND2 3.26Å; E96-N99 PolarHBondContact N-OD1 3.06Å; E96-N99 PolarHBondContact O-OD1 2.96Å; F97-N99 VanDerWaalsContact C-N 3.3Å; F97-N99 PolarHBondContact O-N 3.29Å; N99-H143 PolarHBondContact O-CE1 3.12Å; N99-H143 PolarHBondContact OD1-CE1 2.96Å; N99-H143 PolarHBondContact OD1-NE2 3.26Å |
| 100 | Y | 87.2 | Confident | 87.3 | Confident | 21 Ų | 21 | 77.3 Ų | 77.3 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | trans | -76.5 | 129.5 | 168.8 | -174.7 | -94.4 | 0 | 0 | 0 | 110.3 | E96 F97 A107 L111 H143 L144 | E96-Y100 PolarHBondContact O-N 3.33Å; F97-Y100 WeakPolarHBondContact O-CB 3.44Å; F97-Y100 PolarHBondContact O-N 3.01Å; Y100-A107 HydrophobicContact CE1-CB 4.41Å; Y100-L111 HydrophobicContact CD1-CB 4.01Å; Y100-L111 HydrophobicContact CD1-CD1 4.02Å; Y100-L111 HydrophobicContact CD1-CD2 4Å; Y100-L111 HydrophobicContact CD1-CG 4.22Å; Y100-L111 HydrophobicContact CE1-CB 4.09Å; Y100-L111 HydrophobicContact CG-CD1 4.21Å; Y100-H143 HydrophobicContact CD2-CB 4.13Å; Y100-H143 AromaticContact CD2-CD2 3.76Å; Y100-H143 AromaticContact CD2-CG 3.81Å; Y100-H143 HydrophobicContact CE2-CB 4.43Å; Y100-L144 HydrophobicContact CD1-CD2 4.05Å; Y100-L144 HydrophobicContact CD2-CD2 3.49Å; Y100-L144 VanDerWaalsContact CD2-CD2 3.49Å; Y100-L144 HydrophobicContact CD2-CG 3.73Å; Y100-L144 HydrophobicContact CE1-CD1 4.36Å; Y100-L144 HydrophobicContact CE1-CD2 4.24Å; Y100-L144 HydrophobicContact CE2-CD1 3.89Å; Y100-L144 HydrophobicContact CE2-CD2 3.72Å; Y100-L144 HydrophobicContact CE2-CG 3.48Å; Y100-L144 VanDerWaalsContact CE2-CG 3.48Å; Y100-L144 HydrophobicContact CG-CD2 3.65Å; Y100-L144 HydrophobicContact CG-CG 4.35Å | ||
| 101 | L | 81.5 | Confident | 87.9 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | trans | -94.2 | 114.8 | -178.1 | -161 | 100.9 | 0 | 0 | 0 | 111.4 | V103 Y267 | L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 HydrophobicContact CD2-CG1 3.77Å; L101-V103 PolarHBondContact O-N 3.34Å; L101-Y267 HydrophobicContact CD2-CD2 4.41Å; L101-Y267 HydrophobicContact CD2-CE2 3.61Å | ||
| 102 | E | 85.1 | Confident | 88.5 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | trans | -70.9 | 81 | 174.8 | -61.6 | 178.2 | -156.1 | 0 | 0 | 111.4 | N104 A108 L111 | E102-N104 VanDerWaalsContact C-N 3.27Å; E102-N104 PolarHBondContact O-N 3.41Å; E102-A108 HydrophobicContact CB-CB 4.15Å; E102-A108 HydrophobicContact CG-CB 4.06Å; E102-A108 WeakPolarHBondContact OE2-CB 3.5Å; E102-L111 HydrophobicContact CG-CD2 3.78Å; E102-L111 VanDerWaalsContact OE1-CD2 3.3Å; E102-L111 WeakPolarHBondContact OE1-CD2 3.4Å | ||
| 103 | V | 79.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | trans | -67.9 | -22.8 | -175.3 | -71 | 0 | 0 | 0 | 0 | 114.5 | L101 A107 Y267 | L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 HydrophobicContact CD2-CG1 3.77Å; L101-V103 PolarHBondContact O-N 3.34Å; V103-A107 HydrophobicContact CG2-CB 3.73Å; V103-Y267 HydrophobicContact CG1-CD2 4.05Å; V103-Y267 HydrophobicContact CG1-CE2 4.47Å | ||
| 104 | N | 83.8 | Confident | 89.1 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -159.4 | 170 | -179.7 | 63 | 45.6 | 0 | 0 | 0 | 109.8 | E102 D106 A107 A108 W264 | E102-N104 VanDerWaalsContact C-N 3.27Å; E102-N104 PolarHBondContact O-N 3.41Å; N104-D106 VanDerWaalsContact C-N 3.25Å; N104-D106 PolarHBondContact O-N 3.39Å; N104-D106 WeakPolarHBondContact OD1-CA 3.4Å; N104-D106 WeakPolarHBondContact OD1-CB 3.39Å; N104-D106 PolarHBondContact OD1-N 2.82Å; N104-A107 WeakPolarHBondContact O-CB 3.36Å; N104-A107 PolarHBondContact O-N 2.96Å; N104-A107 VanDerWaalsContact O-N 3.15Å; N104-A107 WeakPolarHBondContact OD1-CB 3.5Å; N104-A107 PolarHBondContact OD1-N 2.92Å; N104-A108 PolarHBondContact O-N 3.36Å; N104-W264 VanDerWaalsContact ND2-CB 3.32Å; N104-W264 WeakPolarHBondContact ND2-CB 3.31Å |
| 105 | P | 87.1 | Confident | 89.5 | Confident | 102 Ų | 102 | 54.9 Ų | 54.9 | 66% | 0.662 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.8 | -30.3 | -179.8 | -27.5 | 36.6 | 0 | 0 | 0 | 114.9 | R109 | P105-R109 WeakPolarHBondContact O-CB 3.39Å; P105-R109 PolarHBondContact O-N 2.85Å |
| 106 | D | 88.2 | Confident | 89.7 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.5 | -37.1 | 177.3 | -62.2 | -38.6 | 0 | 0 | 0 | 111.6 | N104 R109 N110 W264 | N104-D106 VanDerWaalsContact C-N 3.25Å; N104-D106 PolarHBondContact O-N 3.39Å; N104-D106 WeakPolarHBondContact OD1-CA 3.4Å; N104-D106 WeakPolarHBondContact OD1-CB 3.39Å; N104-D106 PolarHBondContact OD1-N 2.82Å; D106-R109 PolarHBondContact O-N 2.85Å; D106-R109 IonicContact OD1-CZ 3.99Å; D106-R109 IonicContact OD1-NH2 3.78Å; D106-N110 WeakPolarHBondContact O-CB 3.17Å; D106-N110 VanDerWaalsContact O-CG 3.32Å; D106-N110 PolarHBondContact O-N 3.01Å; D106-N110 PolarHBondContact O-OD1 3.41Å; D106-W264 HydrophobicContact CB-CE3 4.17Å; D106-W264 HydrophobicContact CB-CZ3 3.82Å |
| 107 | A | 88.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y100 V103 N104 N110 L111 W264 | Y100-A107 HydrophobicContact CE1-CB 4.41Å; V103-A107 HydrophobicContact CG2-CB 3.73Å; N104-A107 WeakPolarHBondContact O-CB 3.36Å; N104-A107 PolarHBondContact O-N 2.96Å; N104-A107 VanDerWaalsContact O-N 3.15Å; N104-A107 WeakPolarHBondContact OD1-CB 3.5Å; N104-A107 PolarHBondContact OD1-N 2.92Å; A107-N110 PolarHBondContact O-N 3.35Å; A107-L111 WeakPolarHBondContact O-CB 3.5Å; A107-L111 PolarHBondContact O-N 3.32Å; A107-W264 HydrophobicContact CB-CH2 3.84Å; A107-W264 HydrophobicContact CB-CZ2 3.6Å |
| 108 | A | 90.3 | Very high | 89.9 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E102 N104 L111 A112 | E102-A108 HydrophobicContact CB-CB 4.15Å; E102-A108 HydrophobicContact CG-CB 4.06Å; E102-A108 WeakPolarHBondContact OE2-CB 3.5Å; N104-A108 PolarHBondContact O-N 3.36Å; A108-L111 PolarHBondContact O-N 3.13Å; A108-A112 WeakPolarHBondContact O-CB 3.42Å; A108-A112 PolarHBondContact O-N 3.41Å |
| 109 | R | 92.4 | Very high | 90.1 | Very high | 166 Ų | 166 | 57 Ų | 57 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 176.2 | -169.1 | -174.6 | -55.5 | 171.9 | 9.7 | 112.1 | P105 D106 A112 A113 | P105-R109 WeakPolarHBondContact O-CB 3.39Å; P105-R109 PolarHBondContact O-N 2.85Å; D106-R109 PolarHBondContact O-N 2.85Å; D106-R109 IonicContact OD1-CZ 3.99Å; D106-R109 IonicContact OD1-NH2 3.78Å; R109-A112 PolarHBondContact O-N 2.93Å; R109-A113 WeakPolarHBondContact O-CB 3.17Å; R109-A113 PolarHBondContact O-N 3.44Å |
| 110 | N | 92.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 178.2 | -71.1 | -1.8 | 0 | 0 | 0 | 111.4 | D106 A107 A113 C114 S261 F262 W264 | D106-N110 WeakPolarHBondContact O-CB 3.17Å; D106-N110 VanDerWaalsContact O-CG 3.32Å; D106-N110 PolarHBondContact O-N 3.01Å; D106-N110 PolarHBondContact O-OD1 3.41Å; A107-N110 PolarHBondContact O-N 3.35Å; N110-A113 PolarHBondContact O-N 2.95Å; N110-C114 WeakPolarHBondContact O-CB 3.38Å; N110-C114 PolarHBondContact O-N 3.07Å; N110-C114 PolarHBondContact O-SG 3.43Å; N110-C114 VanDerWaalsContact O-SG 3.37Å; N110-S261 PolarHBondContact ND2-O 3.47Å; N110-F262 HydrophobicContact CB-CE1 4.16Å; N110-F262 HydrophobicContact CB-CE2 4.47Å; N110-F262 HydrophobicContact CB-CZ 3.84Å; N110-F262 WeakPolarHBondContact ND2-CE2 3.48Å; N110-F262 WeakPolarHBondContact ND2-CZ 3.22Å; N110-W264 WeakPolarHBondContact ND2-CH2 3.47Å |
| 111 | L | 93.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -49 | 171.9 | 172.5 | 65.9 | 0 | 0 | 0 | 111 | F97 Y100 E102 A107 A108 A113 C114 R115 L144 | F97-L111 HydrophobicContact CB-CD1 4.38Å; F97-L111 HydrophobicContact CD1-CD1 3.67Å; F97-L111 HydrophobicContact CE1-CD1 4.46Å; F97-L111 HydrophobicContact CG-CD1 4.49Å; Y100-L111 HydrophobicContact CD1-CB 4.01Å; Y100-L111 HydrophobicContact CD1-CD1 4.02Å; Y100-L111 HydrophobicContact CD1-CD2 4Å; Y100-L111 HydrophobicContact CD1-CG 4.22Å; Y100-L111 HydrophobicContact CE1-CB 4.09Å; Y100-L111 HydrophobicContact CG-CD1 4.21Å; E102-L111 HydrophobicContact CG-CD2 3.78Å; E102-L111 VanDerWaalsContact OE1-CD2 3.3Å; E102-L111 WeakPolarHBondContact OE1-CD2 3.4Å; A107-L111 WeakPolarHBondContact O-CB 3.5Å; A107-L111 PolarHBondContact O-N 3.32Å; A108-L111 PolarHBondContact O-N 3.13Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 3.17Å; L111-C114 PolarHBondContact O-N 3.21Å; L111-R115 WeakPolarHBondContact O-CB 3.25Å; L111-R115 PolarHBondContact O-N 3.47Å; L111-L144 HydrophobicContact CB-CD2 4.4Å; L111-L144 HydrophobicContact CD1-CD2 3.51Å |
| 112 | A | 93.7 | Very high | 91.2 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A108 R109 R116 | A108-A112 WeakPolarHBondContact O-CB 3.42Å; A108-A112 PolarHBondContact O-N 3.41Å; R109-A112 PolarHBondContact O-N 2.93Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 3.19Å |
| 113 | A | 93.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R109 N110 L111 R116 Y117 L260 | R109-A113 WeakPolarHBondContact O-CB 3.17Å; R109-A113 PolarHBondContact O-N 3.44Å; N110-A113 PolarHBondContact O-N 2.95Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 3.17Å; A113-R116 PolarHBondContact O-N 3.21Å; A113-Y117 WeakPolarHBondContact O-CB 3.43Å; A113-Y117 PolarHBondContact O-N 3.15Å; A113-L260 HydrophobicContact CB-CD1 4.36Å; A113-L260 HydrophobicContact CB-CD2 3.82Å |
| 114 | C | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.8 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | F97 N110 L111 Y117 A118 L144 M148 L260 | F97-C114 HydrophobicContact CE1-CB 3.99Å; N110-C114 WeakPolarHBondContact O-CB 3.38Å; N110-C114 PolarHBondContact O-N 3.07Å; N110-C114 PolarHBondContact O-SG 3.43Å; N110-C114 VanDerWaalsContact O-SG 3.37Å; L111-C114 PolarHBondContact O-N 3.21Å; C114-Y117 PolarHBondContact O-N 3.38Å; C114-A118 PolarHBondContact O-N 2.91Å; C114-A118 VanDerWaalsContact O-N 3.09Å; C114-L144 HydrophobicContact CB-CB 4.43Å; C114-M148 HydrophobicContact CB-CE 4.47Å; C114-M148 HydrophobicContact CB-CG 3.97Å; C114-M148 HydrophobicContact CB-SD 3.61Å; C114-L260 VanDerWaalsContact SG-CD1 3.51Å |
| 115 | R | 95 | Very high | 92.5 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 28% | 0.275 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 176.9 | -175.6 | -179.3 | -72.6 | -94.9 | 10.9 | 111 | F97 D98 L111 Y117 A118 E119 | F97-R115 HydrophobicContact CD1-CB 4.46Å; F97-R115 HydrophobicContact CE1-CB 4.3Å; F97-R115 HydrophobicContact CZ-CB 4.41Å; D98-R115 IonicContact OD1-CZ 3.73Å; D98-R115 IonicContact OD1-NH1 2.84Å; D98-R115 IonicContact OD1-NH2 3.18Å; D98-R115 PolarHBondContact OD1-NH2 3.3Å; L111-R115 WeakPolarHBondContact O-CB 3.25Å; L111-R115 PolarHBondContact O-N 3.47Å; R115-Y117 VanDerWaalsContact C-N 3.31Å; R115-Y117 PolarHBondContact O-N 2.88Å; R115-A118 PolarHBondContact O-N 3.01Å; R115-A118 VanDerWaalsContact O-N 3.15Å; R115-E119 WeakPolarHBondContact CD-OE1 3.24Å; R115-E119 HydrophobicContact CG-CG 4.32Å; R115-E119 WeakPolarHBondContact CG-OE1 3.49Å; R115-E119 IonicContact NH1-OE1 2.99Å; R115-E119 WeakPolarHBondContact O-CB 3.47Å; R115-E119 WeakPolarHBondContact O-CG 3.41Å; R115-E119 PolarHBondContact O-N 3.05Å |
| 116 | R | 93.8 | Very high | 92.6 | Very high | 151 Ų | 151 | 55 Ų | 55 | 57% | 0.57 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 175.8 | 178.6 | 172.8 | 52.6 | -131.4 | -7.2 | 112.8 | A112 A113 A118 N120 | A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 3.19Å; A113-R116 PolarHBondContact O-N 3.21Å; R116-A118 VanDerWaalsContact C-N 3.35Å; R116-N120 WeakPolarHBondContact O-CB 3.43Å; R116-N120 PolarHBondContact O-N 3.2Å; R116-N120 VanDerWaalsContact O-N 3.11Å |
| 117 | Y | 94.2 | Very high | 92.6 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175 | -177.5 | -80.9 | 0 | 0 | 0 | 111.3 | A113 C114 R115 W121 M124 T129 L131 M148 I152 P228 I230 | A113-Y117 WeakPolarHBondContact O-CB 3.43Å; A113-Y117 PolarHBondContact O-N 3.15Å; C114-Y117 PolarHBondContact O-N 3.38Å; R115-Y117 VanDerWaalsContact C-N 3.31Å; R115-Y117 PolarHBondContact O-N 2.88Å; Y117-W121 HydrophobicContact CE1-CE3 4.29Å; Y117-W121 HydrophobicContact CE1-CZ3 4.12Å; Y117-M124 HydrophobicContact CD2-CG 4.01Å; Y117-M124 HydrophobicContact CD2-SD 3.8Å; Y117-M124 HydrophobicContact CE2-CB 4.38Å; Y117-M124 HydrophobicContact CE2-CG 4.05Å; Y117-M124 HydrophobicContact CE2-SD 3.98Å; Y117-M124 HydrophobicContact CG-CG 4.26Å; Y117-M124 HydrophobicContact CG-SD 4.49Å; Y117-M124 WeakPolarHBondContact O-CG 3.33Å; Y117-T129 HydrophobicContact CE2-CG2 4.34Å; Y117-T129 WeakPolarHBondContact CE2-O 3.34Å; Y117-T129 PolarHBondContact OH-O 2.85Å; Y117-L131 HydrophobicContact CE2-CB 4.29Å; Y117-M148 HydrophobicContact CD1-SD 4.15Å; Y117-I152 HydrophobicContact CE1-CD1 4.49Å; Y117-P228 WeakPolarHBondContact OH-CB 3.38Å; Y117-I230 HydrophobicContact CE1-CD1 4.21Å |
| 118 | A | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.8 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F97 C114 R115 R116 W121 M148 H151 I152 Y156 | F97-A118 HydrophobicContact CE2-CB 3.96Å; F97-A118 HydrophobicContact CZ-CB 3.91Å; C114-A118 PolarHBondContact O-N 2.91Å; C114-A118 VanDerWaalsContact O-N 3.09Å; R115-A118 PolarHBondContact O-N 3.01Å; R115-A118 VanDerWaalsContact O-N 3.15Å; R116-A118 VanDerWaalsContact C-N 3.35Å; A118-W121 WeakPolarHBondContact O-CB 3.26Å; A118-W121 PolarHBondContact O-N 2.63Å; A118-M148 HydrophobicContact CB-CG 4.31Å; A118-H151 HydrophobicContact CB-CB 4.17Å; A118-I152 HydrophobicContact CB-CD1 4.5Å; A118-I152 HydrophobicContact CB-CG1 4.22Å; A118-Y156 WeakPolarHBondContact O-CE2 3.38Å |
| 119 | E | 94.5 | Very high | 92.5 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.2 | -26.2 | 179.2 | -72.6 | 170.1 | 177.1 | 0 | 0 | 113 | R115 Y156 | R115-E119 WeakPolarHBondContact CD-OE1 3.24Å; R115-E119 HydrophobicContact CG-CG 4.32Å; R115-E119 WeakPolarHBondContact CG-OE1 3.49Å; R115-E119 IonicContact NH1-OE1 2.99Å; R115-E119 WeakPolarHBondContact O-CB 3.47Å; R115-E119 WeakPolarHBondContact O-CG 3.41Å; R115-E119 PolarHBondContact O-N 3.05Å; E119-Y156 PolarHBondContact O-OH 3.43Å |
| 120 | N | 93.8 | Very high | 92.4 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 28.2 | 175.4 | -64.3 | -20.1 | 0 | 0 | 0 | 111.8 | R116 D123 M124 | R116-N120 WeakPolarHBondContact O-CB 3.43Å; R116-N120 PolarHBondContact O-N 3.2Å; R116-N120 VanDerWaalsContact O-N 3.11Å; N120-D123 PolarHBondContact O-N 3Å; N120-D123 VanDerWaalsContact O-N 3.13Å; N120-M124 HydrophobicContact CB-CE 3.96Å; N120-M124 WeakPolarHBondContact O-CG 3.42Å; N120-M124 PolarHBondContact O-N 3.2Å; N120-M124 VanDerWaalsContact O-N 3.12Å |
| 121 | W | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.5 | -41.9 | -175.6 | 177.1 | -112.3 | 0 | 0 | 0 | 115.2 | Y117 A118 D123 M124 L125 I152 Y156 A158 D195 L196 P228 | Y117-W121 HydrophobicContact CE1-CE3 4.29Å; Y117-W121 HydrophobicContact CE1-CZ3 4.12Å; A118-W121 WeakPolarHBondContact O-CB 3.26Å; A118-W121 PolarHBondContact O-N 2.63Å; W121-D123 VanDerWaalsContact C-N 3.31Å; W121-D123 PolarHBondContact O-N 3.4Å; W121-M124 HydrophobicContact CE3-CB 4.1Å; W121-M124 HydrophobicContact CZ3-CB 4.41Å; W121-M124 PolarHBondContact O-N 2.86Å; W121-M124 VanDerWaalsContact O-N 3.11Å; W121-L125 HydrophobicContact CD2-CB 4.49Å; W121-L125 HydrophobicContact CH2-CB 4.5Å; W121-L125 HydrophobicContact CH2-CD1 4.29Å; W121-L125 HydrophobicContact CZ2-CB 4.11Å; W121-L125 HydrophobicContact CZ2-CD1 3.91Å; W121-L125 HydrophobicContact CZ2-CD2 4.27Å; W121-L125 HydrophobicContact CZ2-CG 4.32Å; W121-L125 WeakPolarHBondContact O-CB 3.45Å; W121-L125 PolarHBondContact O-N 3.34Å; W121-I152 HydrophobicContact CB-CG1 4.32Å; W121-I152 HydrophobicContact CD2-CD1 4.01Å; W121-I152 HydrophobicContact CD2-CG1 4.02Å; W121-I152 HydrophobicContact CD2-CG2 3.79Å; W121-I152 HydrophobicContact CE3-CD1 3.57Å; W121-I152 HydrophobicContact CE3-CG1 4.09Å; W121-I152 HydrophobicContact CE3-CG2 4.37Å; W121-I152 HydrophobicContact CG-CG1 4.13Å; W121-I152 HydrophobicContact CG-CG2 4.06Å; W121-I152 HydrophobicContact CZ2-CG2 4.1Å; W121-I152 HydrophobicContact CZ3-CD1 3.96Å; W121-Y156 HydrophobicContact CB-CD1 4.44Å; W121-Y156 HydrophobicContact CB-CD2 3.79Å; W121-Y156 HydrophobicContact CB-CE1 4.34Å; W121-Y156 HydrophobicContact CB-CE2 3.66Å; W121-Y156 HydrophobicContact CB-CG 4.18Å; W121-Y156 AromaticContact CD1-CD2 3.8Å; W121-Y156 AromaticContact CD1-CG 3.55Å; W121-Y156 HydrophobicContact CG-CD2 4.04Å; W121-Y156 HydrophobicContact CG-CE2 4.41Å; W121-Y156 HydrophobicContact CG-CG 4.2Å; W121-A158 HydrophobicContact CZ2-CB 4.25Å; W121-D195 WeakPolarHBondContact CH2-O 3.45Å; W121-D195 HydrophobicContact CZ2-CB 3.99Å; W121-L196 HydrophobicContact CH2-CB 3.68Å; W121-L196 HydrophobicContact CH2-CD1 3.97Å; W121-L196 HydrophobicContact CH2-CD2 4.49Å; W121-L196 HydrophobicContact CH2-CG 4.27Å; W121-L196 HydrophobicContact CZ2-CB 4.28Å; W121-L196 HydrophobicContact CZ3-CB 4.38Å; W121-L196 HydrophobicContact CZ3-CD1 4Å; W121-L196 HydrophobicContact CZ3-CD2 4.41Å; W121-P228 HydrophobicContact CH2-CB 4.12Å; W121-P228 HydrophobicContact CH2-CG 3.88Å; W121-P228 HydrophobicContact CZ3-CB 4.17Å; W121-P228 HydrophobicContact CZ3-CG 4.07Å |
| 122 | P | 92.3 | Very high | 92.1 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 178.7 | -26.2 | 36.3 | 0 | 0 | 0 | 112.9 | L125 E126 Y156 | P122-L125 PolarHBondContact O-N 3.43Å; P122-E126 WeakPolarHBondContact O-CB 3.44Å; P122-E126 PolarHBondContact O-N 3.1Å; P122-Y156 HydrophobicContact CG-CD1 3.97Å; P122-Y156 HydrophobicContact CG-CE1 3.61Å |
| 123 | D | 91.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.6 | -37.2 | 177.4 | -60.1 | -17.7 | 0 | 0 | 0 | 111.3 | N120 W121 N127 | N120-D123 PolarHBondContact O-N 3Å; N120-D123 VanDerWaalsContact O-N 3.13Å; W121-D123 VanDerWaalsContact C-N 3.31Å; W121-D123 PolarHBondContact O-N 3.4Å; D123-N127 WeakPolarHBondContact O-CB 3.28Å; D123-N127 PolarHBondContact O-N 2.8Å; D123-N127 VanDerWaalsContact O-N 3.14Å; D123-N127 PolarHBondContact O-ND2 2.94Å |
| 124 | M | 91 | Very high | 91.9 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 177.6 | -60.9 | -56.3 | 120.3 | 0 | 0 | 111.4 | Y117 N120 W121 G128 T129 P228 | Y117-M124 HydrophobicContact CD2-CG 4.01Å; Y117-M124 HydrophobicContact CD2-SD 3.8Å; Y117-M124 HydrophobicContact CE2-CB 4.38Å; Y117-M124 HydrophobicContact CE2-CG 4.05Å; Y117-M124 HydrophobicContact CE2-SD 3.98Å; Y117-M124 HydrophobicContact CG-CG 4.26Å; Y117-M124 HydrophobicContact CG-SD 4.49Å; Y117-M124 WeakPolarHBondContact O-CG 3.33Å; N120-M124 HydrophobicContact CB-CE 3.96Å; N120-M124 WeakPolarHBondContact O-CG 3.42Å; N120-M124 PolarHBondContact O-N 3.2Å; N120-M124 VanDerWaalsContact O-N 3.12Å; W121-M124 HydrophobicContact CE3-CB 4.1Å; W121-M124 HydrophobicContact CZ3-CB 4.41Å; W121-M124 PolarHBondContact O-N 2.86Å; W121-M124 VanDerWaalsContact O-N 3.11Å; M124-G128 PolarHBondContact O-N 2.8Å; M124-T129 PolarHBondContact O-N 3.44Å; M124-T129 HydrophobicContact SD-CG2 3.86Å; M124-P228 WeakPolarHBondContact O-CG 3.49Å |
| 125 | L | 92.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.5 | -45.5 | 178.8 | -177.5 | 60.5 | 0 | 0 | 0 | 111.5 | W121 P122 N127 G128 D195 L227 P228 | W121-L125 HydrophobicContact CD2-CB 4.49Å; W121-L125 HydrophobicContact CH2-CB 4.5Å; W121-L125 HydrophobicContact CH2-CD1 4.29Å; W121-L125 HydrophobicContact CZ2-CB 4.11Å; W121-L125 HydrophobicContact CZ2-CD1 3.91Å; W121-L125 HydrophobicContact CZ2-CD2 4.27Å; W121-L125 HydrophobicContact CZ2-CG 4.32Å; W121-L125 WeakPolarHBondContact O-CB 3.45Å; W121-L125 PolarHBondContact O-N 3.34Å; P122-L125 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact C-N 3.28Å; L125-N127 PolarHBondContact O-N 2.7Å; L125-G128 PolarHBondContact O-N 3Å; L125-D195 HydrophobicContact CD1-CB 4.26Å; L125-L227 HydrophobicContact CD1-CD2 4.14Å; L125-P228 HydrophobicContact CD1-CG 4.26Å |
| 126 | E | 89.8 | Confident | 90.7 | Very high | 154 Ų | 154 | 46.4 Ų | 46.4 | 72% | 0.72 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.3 | -36.9 | 178 | -174 | 174.9 | -170.5 | 0 | 0 | 112.3 | P122 | P122-E126 WeakPolarHBondContact O-CB 3.44Å; P122-E126 PolarHBondContact O-N 3.1Å |
| 127 | N | 87.3 | Confident | 89.9 | Confident | 111 Ų | 111 | 42.7 Ų | 42.7 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.5 | -179.4 | -66.8 | -59.6 | 0 | 0 | 0 | 114.3 | D123 L125 T129 | D123-N127 WeakPolarHBondContact O-CB 3.28Å; D123-N127 PolarHBondContact O-N 2.8Å; D123-N127 VanDerWaalsContact O-N 3.14Å; D123-N127 PolarHBondContact O-ND2 2.94Å; L125-N127 VanDerWaalsContact C-N 3.28Å; L125-N127 PolarHBondContact O-N 2.7Å; N127-T129 WeakPolarHBondContact CB-OG1 3.38Å; N127-T129 PolarHBondContact O-N 2.92Å |
| 128 | G | 87 | Confident | 89 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 28.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M124 L125 S130 I226 | M124-G128 PolarHBondContact O-N 2.8Å; L125-G128 PolarHBondContact O-N 3Å; G128-S130 PolarHBondContact O-N 2.93Å; G128-S130 VanDerWaalsContact O-N 3.12Å; G128-I226 WeakPolarHBondContact CA-O 3.38Å |
| 129 | T | 88.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | trans | -68.3 | 110.7 | -168.6 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | Y117 M124 N127 N258 | Y117-T129 HydrophobicContact CE2-CG2 4.34Å; Y117-T129 WeakPolarHBondContact CE2-O 3.34Å; Y117-T129 PolarHBondContact OH-O 2.85Å; M124-T129 PolarHBondContact O-N 3.44Å; M124-T129 HydrophobicContact SD-CG2 3.86Å; N127-T129 WeakPolarHBondContact CB-OG1 3.38Å; N127-T129 PolarHBondContact O-N 2.92Å; T129-N258 VanDerWaalsContact CG2-ND2 3.3Å; T129-N258 WeakPolarHBondContact CG2-ND2 3.25Å | ||
| 130 | S | 90.4 | Very high | 88.1 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -91.6 | 157.3 | -179.5 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | G128 T229 I252 N258 | G128-S130 PolarHBondContact O-N 2.93Å; G128-S130 VanDerWaalsContact O-N 3.12Å; S130-T229 CarbonylContact C-O 3.59Å; S130-T229 VanDerWaalsContact CA-O 3.28Å; S130-T229 WeakPolarHBondContact CA-O 3.49Å; S130-T229 WeakPolarHBondContact CB-O 3.47Å; S130-T229 PolarHBondContact OG-N 2.99Å; S130-T229 PolarHBondContact OG-O 3.12Å; S130-I252 WeakPolarHBondContact CB-O 3.22Å; S130-N258 WeakPolarHBondContact O-CB 3.5Å; S130-N258 PolarHBondContact O-ND2 3.17Å; S130-N258 VanDerWaalsContact O-ND2 3.13Å | ||
| 131 | L | 91.2 | Very high | 88 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.5 | -177.4 | -172.7 | 73.4 | 0 | 0 | 0 | 111.6 | Y117 M133 M148 T229 I230 L231 N258 L260 | Y117-L131 HydrophobicContact CE2-CB 4.29Å; L131-M133 HydrophobicContact CD2-CG 4.32Å; L131-M148 HydrophobicContact CD2-CE 4.13Å; L131-M148 HydrophobicContact CD2-SD 4.17Å; L131-T229 PolarHBondContact N-O 3Å; L131-I230 HydrophobicContact CB-CG1 4.11Å; L131-I230 HydrophobicContact CB-CG2 4.37Å; L131-I230 HydrophobicContact CD2-CD1 4.49Å; L131-I230 CarbonylContact O-C 3.57Å; L131-I230 WeakPolarHBondContact O-CA 3.35Å; L131-L231 PolarHBondContact O-N 2.8Å; L131-N258 HydrophobicContact CD1-CB 4.25Å; L131-L260 HydrophobicContact CD1-CD1 4.13Å; L131-L260 HydrophobicContact CD1-CG 4.07Å; L131-L260 HydrophobicContact CD2-CD1 4Å; L131-L260 HydrophobicContact CG-CD1 4.41Å |
| 132 | V | 90.7 | Very high | 87.8 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.2 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | T134 L231 L240 I252 T253 N258 W259 L260 | V132-T134 HydrophobicContact CG1-CG2 3.93Å; V132-L231 WeakPolarHBondContact CA-O 3.33Å; V132-L231 HydrophobicContact CG1-CB 4.49Å; V132-L231 HydrophobicContact CG2-CB 4.48Å; V132-L240 HydrophobicContact CG1-CD2 3.75Å; V132-I252 HydrophobicContact CG2-CG2 3.5Å; V132-T253 HydrophobicContact CB-CG2 4.45Å; V132-T253 HydrophobicContact CG2-CG2 3.72Å; V132-N258 PolarHBondContact N-O 3.47Å; V132-W259 WeakPolarHBondContact O-CA 3.36Å; V132-L260 PolarHBondContact O-N 2.95Å |
| 133 | M | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.9 | 179 | -57.6 | 177 | 78.8 | 0 | 0 | 110 | L131 K141 L144 M148 I230 L231 I232 S233 L260 F262 | L131-M133 HydrophobicContact CD2-CG 4.32Å; M133-K141 HydrophobicContact CB-CD 4.38Å; M133-K141 HydrophobicContact CE-CB 4.27Å; M133-L144 HydrophobicContact CE-CB 3.99Å; M133-L144 HydrophobicContact CE-CD1 4.41Å; M133-M148 HydrophobicContact SD-CE 4.1Å; M133-I230 HydrophobicContact CG-CG2 4.44Å; M133-I230 HydrophobicContact SD-CG2 4.15Å; M133-L231 PolarHBondContact N-O 2.89Å; M133-I232 HydrophobicContact CB-CG1 4.37Å; M133-I232 WeakPolarHBondContact O-CA 3.45Å; M133-I232 HydrophobicContact SD-CG1 4.3Å; M133-S233 PolarHBondContact O-N 3.41Å; M133-L260 WeakPolarHBondContact CA-O 3.49Å; M133-F262 HydrophobicContact CB-CD2 4.47Å; M133-F262 HydrophobicContact CB-CE2 4.05Å; M133-F262 HydrophobicContact CE-CE1 4.27Å; M133-F262 HydrophobicContact CE-CE2 3.51Å; M133-F262 HydrophobicContact CE-CZ 3.3Å; M133-F262 HydrophobicContact CG-CE2 4.24Å |
| 134 | T | 89.1 | Confident | 87.9 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.3 | -179.7 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | V132 S233 L240 W259 L260 S261 F262 | V132-T134 HydrophobicContact CG1-CG2 3.93Å; T134-S233 CarbonylContact C-O 3.56Å; T134-S233 WeakPolarHBondContact CA-O 3.05Å; T134-L240 HydrophobicContact CG2-CD2 4.02Å; T134-W259 PolarHBondContact OG1-NE1 3.4Å; T134-L260 PolarHBondContact N-O 3.3Å; T134-S261 CarbonylContact O-C 3.51Å; T134-F262 WeakPolarHBondContact O-CB 3.32Å; T134-F262 PolarHBondContact O-N 3.27Å |
| 135 | G | 84.7 | Confident | 88.1 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.7 | -171.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K141 S233 N234 F262 N263 | G135-K141 PolarHBondContact O-NZ 3.36Å; G135-S233 PolarHBondContact N-O 3.03Å; G135-S233 VanDerWaalsContact N-O 3.16Å; G135-N234 VanDerWaalsContact O-CA 3.31Å; G135-N234 WeakPolarHBondContact O-CA 3.46Å; G135-N234 PolarHBondContact O-OD1 3.02Å; G135-N234 VanDerWaalsContact O-OD1 3.1Å; G135-F262 CarbonylContact C-O 3.59Å; G135-F262 WeakPolarHBondContact CA-O 3.34Å; G135-N263 VanDerWaalsContact CA-OD1 3.32Å; G135-N263 WeakPolarHBondContact CA-OD1 3.39Å |
| 136 | S | 79.2 | Confident | 88.2 | Confident | 68 Ų | 68 | 29.5 Ų | 29.5 | 48% | 0.476 | 18% | 0.18 | S | C | . | . | trans | -68.6 | 162.9 | -172.2 | -68.1 | 0 | 0 | 0 | 0 | 114.4 | T139 K141 F262 | S136-T139 WeakPolarHBondContact O-CG2 3.31Å; S136-T139 PolarHBondContact O-OG1 2.74Å; S136-K141 PolarHBondContact O-NZ 3.16Å; S136-F262 PolarHBondContact N-O 3.14Å | ||
| 137 | C | 78.7 | Confident | 88.5 | Confident | 72 Ų | 72 | 22.2 Ų | 22.2 | 49% | 0.486 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 135.9 | 178.4 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | N234 S266 | C137-N234 PolarHBondContact SG-ND2 3.46Å; C137-N234 VanDerWaalsContact SG-ND2 3.43Å; C137-S266 WeakPolarHBondContact O-CB 3.48Å; C137-S266 PolarHBondContact O-OG 2.92Å |
| 138 | G | 73.8 | Confident | 88.9 | Confident | 24 Ų | 24 | 16.9 Ų | 16.9 | 25% | 0.247 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 26 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | S266 Y267 | G138-S266 WeakPolarHBondContact CA-OG 3.45Å; G138-Y267 PolarHBondContact O-N 3.49Å |
| 139 | T | 83.9 | Confident | 89.3 | Confident | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -93.3 | -2.3 | 175 | 50.9 | 0 | 0 | 0 | 0 | 114 | S136 F262 W264 | S136-T139 WeakPolarHBondContact O-CG2 3.31Å; S136-T139 PolarHBondContact O-OG1 2.74Å; T139-F262 WeakPolarHBondContact CG2-O 3.47Å; T139-F262 WeakPolarHBondContact OG1-CB 3.38Å; T139-W264 HydrophobicContact CG2-CG 4.28Å; T139-W264 WeakPolarHBondContact CG2-O 3.46Å; T139-W264 VanDerWaalsContact O-CZ2 3.3Å; T139-W264 WeakPolarHBondContact O-CZ2 3.13Å; T139-W264 PolarHBondContact O-NE1 2.67Å |
| 140 | G | 87.3 | Confident | 89.6 | Confident | 22 Ų | 22 | 15.1 Ų | 15.1 | 23% | 0.227 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 105 | 2.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N142 H143 L144 | G140-N142 PolarHBondContact O-N 2.78Å; G140-H143 VanDerWaalsContact O-CB 3.31Å; G140-H143 WeakPolarHBondContact O-CB 3.41Å; G140-H143 PolarHBondContact O-N 3.04Å; G140-L144 PolarHBondContact O-N 3.1Å; G140-L144 VanDerWaalsContact O-N 3.12Å |
| 141 | K | 90.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 16.1 Ų | 16.1 | 3% | 0.03 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -48.6 | -55.5 | -179.8 | -58.9 | -170.1 | -61.2 | -87.6 | 0 | 113.5 | M133 G135 S136 H143 L144 A145 I232 S233 N234 F262 | M133-K141 HydrophobicContact CB-CD 4.38Å; M133-K141 HydrophobicContact CE-CB 4.27Å; G135-K141 PolarHBondContact O-NZ 3.36Å; S136-K141 PolarHBondContact O-NZ 3.16Å; K141-H143 VanDerWaalsContact C-N 3.27Å; K141-H143 PolarHBondContact O-N 3.31Å; K141-L144 PolarHBondContact O-N 3.08Å; K141-A145 PolarHBondContact O-N 3Å; K141-I232 HydrophobicContact CB-CG2 3.86Å; K141-I232 HydrophobicContact CD-CG2 3.95Å; K141-S233 WeakPolarHBondContact CE-O 3.47Å; K141-N234 PolarHBondContact NZ-OD1 3.02Å; K141-F262 HydrophobicContact CD-CB 4.11Å; K141-F262 HydrophobicContact CD-CD2 4.01Å; K141-F262 HydrophobicContact CD-CG 4.07Å; K141-F262 HydrophobicContact CG-CB 3.91Å; K141-F262 HydrophobicContact CG-CD1 3.76Å; K141-F262 HydrophobicContact CG-CD2 3.69Å; K141-F262 HydrophobicContact CG-CE1 4.21Å; K141-F262 HydrophobicContact CG-CE2 4.12Å; K141-F262 HydrophobicContact CG-CG 3.51Å; K141-F262 HydrophobicContact CG-CZ 4.39Å |
| 142 | N | 91.3 | Very high | 90 | Very high | 35 Ų | 35 | 15.7 Ų | 15.7 | 19% | 0.187 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.4 | -28.3 | -178.9 | -60.7 | 28.3 | 0 | 0 | 0 | 112.9 | F92 G140 V146 D200 | F92-N142 HydrophobicContact CE1-CB 4.04Å; F92-N142 HydrophobicContact CE2-CB 3.96Å; F92-N142 HydrophobicContact CZ-CB 3.66Å; G140-N142 PolarHBondContact O-N 2.78Å; N142-V146 WeakPolarHBondContact O-CB 3.5Å; N142-V146 WeakPolarHBondContact O-CG2 3.48Å; N142-V146 PolarHBondContact O-N 3.47Å; N142-D200 PolarHBondContact ND2-OD2 3.13Å |
| 143 | H | 92.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 15.4 Ų | 15.4 | 17% | 0.167 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.6 | -51.6 | 175.3 | -172.8 | 136.9 | 0 | 0 | 0 | 109.7 | C95 E96 N99 Y100 G140 K141 A145 V146 A147 | C95-H143 VanDerWaalsContact SG-CG 3.6Å; E96-H143 PolarHBondContact O-NE2 3.48Å; N99-H143 PolarHBondContact O-CE1 3.12Å; N99-H143 PolarHBondContact OD1-CE1 2.96Å; N99-H143 PolarHBondContact OD1-NE2 3.26Å; Y100-H143 HydrophobicContact CD2-CB 4.13Å; Y100-H143 AromaticContact CD2-CD2 3.76Å; Y100-H143 AromaticContact CD2-CG 3.81Å; Y100-H143 HydrophobicContact CE2-CB 4.43Å; G140-H143 VanDerWaalsContact O-CB 3.31Å; G140-H143 WeakPolarHBondContact O-CB 3.41Å; G140-H143 PolarHBondContact O-N 3.04Å; K141-H143 VanDerWaalsContact C-N 3.27Å; K141-H143 PolarHBondContact O-N 3.31Å; H143-A145 VanDerWaalsContact C-N 3.34Å; H143-A145 PolarHBondContact O-N 3.47Å; H143-V146 PolarHBondContact O-N 3.35Å; H143-A147 WeakPolarHBondContact O-CB 3.4Å; H143-A147 PolarHBondContact O-N 3.12Å |
| 144 | L | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 179.2 | -68 | 178.9 | 0 | 0 | 0 | 111.9 | F97 Y100 L111 C114 M133 G140 K141 A147 M148 F262 | F97-L144 HydrophobicContact CD1-CD2 4.31Å; F97-L144 HydrophobicContact CE1-CD2 4.47Å; Y100-L144 HydrophobicContact CD1-CD2 4.05Å; Y100-L144 HydrophobicContact CD2-CD2 3.49Å; Y100-L144 VanDerWaalsContact CD2-CD2 3.49Å; Y100-L144 HydrophobicContact CD2-CG 3.73Å; Y100-L144 HydrophobicContact CE1-CD1 4.36Å; Y100-L144 HydrophobicContact CE1-CD2 4.24Å; Y100-L144 HydrophobicContact CE2-CD1 3.89Å; Y100-L144 HydrophobicContact CE2-CD2 3.72Å; Y100-L144 HydrophobicContact CE2-CG 3.48Å; Y100-L144 VanDerWaalsContact CE2-CG 3.48Å; Y100-L144 HydrophobicContact CG-CD2 3.65Å; Y100-L144 HydrophobicContact CG-CG 4.35Å; L111-L144 HydrophobicContact CB-CD2 4.4Å; L111-L144 HydrophobicContact CD1-CD2 3.51Å; C114-L144 HydrophobicContact CB-CB 4.43Å; M133-L144 HydrophobicContact CE-CB 3.99Å; M133-L144 HydrophobicContact CE-CD1 4.41Å; G140-L144 PolarHBondContact O-N 3.1Å; G140-L144 VanDerWaalsContact O-N 3.12Å; K141-L144 PolarHBondContact O-N 3.08Å; L144-A147 PolarHBondContact O-N 3.38Å; L144-M148 WeakPolarHBondContact O-CB 3.22Å; L144-M148 WeakPolarHBondContact O-CG 3.44Å; L144-M148 PolarHBondContact O-N 3.21Å; L144-F262 HydrophobicContact CD1-CE1 3.76Å; L144-F262 HydrophobicContact CD1-CZ 3.75Å |
| 145 | A | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K141 H143 M148 A149 I198 I232 | K141-A145 PolarHBondContact O-N 3Å; H143-A145 VanDerWaalsContact C-N 3.34Å; H143-A145 PolarHBondContact O-N 3.47Å; A145-M148 HydrophobicContact CB-CE 4.48Å; A145-M148 PolarHBondContact O-N 2.85Å; A145-A149 WeakPolarHBondContact O-CB 3.11Å; A145-A149 PolarHBondContact O-N 3.11Å; A145-I198 HydrophobicContact CB-CD1 4.3Å; A145-I198 HydrophobicContact CB-CG2 4.22Å; A145-I232 HydrophobicContact CB-CD1 3.56Å |
| 146 | V | 95.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | I88 F92 C95 N142 H143 A149 K150 I162 | I88-V146 HydrophobicContact CD1-CG1 4.16Å; I88-V146 HydrophobicContact CG1-CG1 4.31Å; I88-V146 HydrophobicContact CG2-CG1 3.8Å; I88-V146 HydrophobicContact CG2-CG2 4.19Å; F92-V146 HydrophobicContact CB-CB 4.49Å; F92-V146 HydrophobicContact CB-CG1 4.37Å; F92-V146 HydrophobicContact CB-CG2 3.91Å; F92-V146 HydrophobicContact CG-CG2 4.43Å; F92-V146 WeakPolarHBondContact O-CG1 3.2Å; C95-V146 HydrophobicContact CB-CB 4.19Å; C95-V146 HydrophobicContact CB-CG1 3.97Å; N142-V146 WeakPolarHBondContact O-CB 3.5Å; N142-V146 WeakPolarHBondContact O-CG2 3.48Å; N142-V146 PolarHBondContact O-N 3.47Å; H143-V146 PolarHBondContact O-N 3.35Å; V146-A149 PolarHBondContact O-N 2.82Å; V146-K150 HydrophobicContact CG1-CD 4.06Å; V146-K150 HydrophobicContact CG1-CG 4.43Å; V146-K150 WeakPolarHBondContact O-CB 3.4Å; V146-K150 WeakPolarHBondContact O-CG 3.47Å; V146-K150 PolarHBondContact O-N 2.89Å; V146-I162 HydrophobicContact CG2-CD1 3.72Å |
| 147 | A | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | F97 H143 L144 H151 | F97-A147 HydrophobicContact CD1-CB 3.72Å; F97-A147 HydrophobicContact CD2-CB 4.25Å; F97-A147 HydrophobicContact CE1-CB 3.91Å; F97-A147 HydrophobicContact CE2-CB 4.42Å; F97-A147 HydrophobicContact CG-CB 3.91Å; F97-A147 HydrophobicContact CZ-CB 4.27Å; H143-A147 WeakPolarHBondContact O-CB 3.4Å; H143-A147 PolarHBondContact O-N 3.12Å; L144-A147 PolarHBondContact O-N 3.38Å; A147-H151 VanDerWaalsContact O-CB 3.32Å; A147-H151 WeakPolarHBondContact O-CB 3.46Å; A147-H151 PolarHBondContact O-N 3.25Å |
| 148 | M | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -51.2 | 172.7 | -73.7 | -176.6 | -60.6 | 0 | 0 | 111.1 | F97 C114 Y117 A118 L131 M133 L144 A145 K150 H151 I152 I230 | F97-M148 HydrophobicContact CE1-CG 4.04Å; F97-M148 HydrophobicContact CZ-CB 4.32Å; F97-M148 HydrophobicContact CZ-CG 3.62Å; C114-M148 HydrophobicContact CB-CE 4.47Å; C114-M148 HydrophobicContact CB-CG 3.97Å; C114-M148 HydrophobicContact CB-SD 3.61Å; Y117-M148 HydrophobicContact CD1-SD 4.15Å; A118-M148 HydrophobicContact CB-CG 4.31Å; L131-M148 HydrophobicContact CD2-CE 4.13Å; L131-M148 HydrophobicContact CD2-SD 4.17Å; M133-M148 HydrophobicContact SD-CE 4.1Å; L144-M148 WeakPolarHBondContact O-CB 3.22Å; L144-M148 WeakPolarHBondContact O-CG 3.44Å; L144-M148 PolarHBondContact O-N 3.21Å; A145-M148 HydrophobicContact CB-CE 4.48Å; A145-M148 PolarHBondContact O-N 2.85Å; M148-K150 PolarHBondContact O-N 3.44Å; M148-H151 PolarHBondContact O-N 2.98Å; M148-I152 WeakPolarHBondContact O-CB 3.28Å; M148-I152 VanDerWaalsContact O-CG1 3.27Å; M148-I152 WeakPolarHBondContact O-CG1 3.27Å; M148-I152 PolarHBondContact O-N 2.86Å; M148-I230 HydrophobicContact CE-CD1 3.71Å; M148-I230 HydrophobicContact SD-CD1 4.3Å |
| 149 | A | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A145 V146 H151 I152 I153 V160 I162 I198 | A145-A149 WeakPolarHBondContact O-CB 3.11Å; A145-A149 PolarHBondContact O-N 3.11Å; V146-A149 PolarHBondContact O-N 2.82Å; A149-H151 PolarHBondContact O-N 3.03Å; A149-I152 PolarHBondContact O-N 3Å; A149-I153 WeakPolarHBondContact O-CD1 3.38Å; A149-I153 WeakPolarHBondContact O-CG1 3.19Å; A149-I153 PolarHBondContact O-N 3.42Å; A149-V160 HydrophobicContact CB-CG1 3.74Å; A149-I162 HydrophobicContact CB-CD1 3.98Å; A149-I162 HydrophobicContact CB-CG1 4.45Å; A149-I198 HydrophobicContact CB-CD1 4.2Å |
| 150 | K | 95 | Very high | 93.5 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.2 | -75.6 | 171.8 | 160.7 | -168.1 | 0 | 113.3 | I88 R93 C95 E96 V146 M148 I152 I153 R154 | I88-K150 HydrophobicContact CD1-CG 3.99Å; R93-K150 VanDerWaalsContact O-CE 3.31Å; R93-K150 WeakPolarHBondContact O-CE 3.34Å; R93-K150 PolarHBondContact O-NZ 3.32Å; C95-K150 WeakPolarHBondContact O-CD 3.48Å; C95-K150 PolarHBondContact O-NZ 3.32Å; E96-K150 WeakPolarHBondContact OE1-CD 3.41Å; E96-K150 IonicContact OE1-NZ 3.83Å; E96-K150 PolarHBondContact OE1-NZ 2.88Å; V146-K150 HydrophobicContact CG1-CD 4.06Å; V146-K150 HydrophobicContact CG1-CG 4.43Å; V146-K150 WeakPolarHBondContact O-CB 3.4Å; V146-K150 WeakPolarHBondContact O-CG 3.47Å; V146-K150 PolarHBondContact O-N 2.89Å; M148-K150 PolarHBondContact O-N 3.44Å; K150-I152 VanDerWaalsContact C-N 3.31Å; K150-I153 PolarHBondContact O-N 3.39Å; K150-R154 WeakPolarHBondContact O-CB 3.31Å; K150-R154 VanDerWaalsContact O-CG 3.25Å; K150-R154 WeakPolarHBondContact O-CG 3.45Å; K150-R154 PolarHBondContact O-N 3.43Å |
| 151 | H | 95.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 177.7 | -174.3 | 101.6 | 0 | 0 | 0 | 110.6 | F97 A118 A147 M148 A149 R154 N155 | F97-H151 HydrophobicContact CD2-CB 4.37Å; F97-H151 HydrophobicContact CE2-CB 3.76Å; F97-H151 AromaticContact CE2-CG 3.99Å; A118-H151 HydrophobicContact CB-CB 4.17Å; A147-H151 VanDerWaalsContact O-CB 3.32Å; A147-H151 WeakPolarHBondContact O-CB 3.46Å; A147-H151 PolarHBondContact O-N 3.25Å; M148-H151 PolarHBondContact O-N 2.98Å; A149-H151 PolarHBondContact O-N 3.03Å; H151-R154 PolarHBondContact O-N 3.34Å; H151-N155 PolarHBondContact CD2-ND2 2.92Å; H151-N155 VanDerWaalsContact CD2-ND2 3.34Å; H151-N155 PolarHBondContact CE1-ND2 3.43Å; H151-N155 PolarHBondContact ND1-ND2 3.17Å; H151-N155 PolarHBondContact NE2-ND2 3.44Å; H151-N155 WeakPolarHBondContact O-CB 3.4Å; H151-N155 PolarHBondContact O-N 3.46Å; H151-N155 PolarHBondContact O-ND2 3.41Å |
| 152 | I | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 179 | -71.6 | 166.7 | 0 | 0 | 0 | 111.2 | Y117 A118 W121 M148 A149 K150 Y156 A158 V160 L196 | Y117-I152 HydrophobicContact CE1-CD1 4.49Å; A118-I152 HydrophobicContact CB-CD1 4.5Å; A118-I152 HydrophobicContact CB-CG1 4.22Å; W121-I152 HydrophobicContact CB-CG1 4.32Å; W121-I152 HydrophobicContact CD2-CD1 4.01Å; W121-I152 HydrophobicContact CD2-CG1 4.02Å; W121-I152 HydrophobicContact CD2-CG2 3.79Å; W121-I152 HydrophobicContact CE3-CD1 3.57Å; W121-I152 HydrophobicContact CE3-CG1 4.09Å; W121-I152 HydrophobicContact CE3-CG2 4.37Å; W121-I152 HydrophobicContact CG-CG1 4.13Å; W121-I152 HydrophobicContact CG-CG2 4.06Å; W121-I152 HydrophobicContact CZ2-CG2 4.1Å; W121-I152 HydrophobicContact CZ3-CD1 3.96Å; M148-I152 WeakPolarHBondContact O-CB 3.28Å; M148-I152 VanDerWaalsContact O-CG1 3.27Å; M148-I152 WeakPolarHBondContact O-CG1 3.27Å; M148-I152 PolarHBondContact O-N 2.86Å; A149-I152 PolarHBondContact O-N 3Å; K150-I152 VanDerWaalsContact C-N 3.31Å; I152-Y156 WeakPolarHBondContact O-CA 3.5Å; I152-Y156 WeakPolarHBondContact O-CB 3.32Å; I152-Y156 PolarHBondContact O-N 2.91Å; I152-A158 HydrophobicContact CG2-CB 3.72Å; I152-V160 HydrophobicContact CG2-CG2 3.97Å; I152-L196 HydrophobicContact CD1-CD2 3.66Å |
| 153 | I | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.9 | -50.3 | 177 | -68.1 | 163.7 | 0 | 0 | 0 | 111.2 | A79 L82 A86 A149 K150 L157 V160 | A79-I153 HydrophobicContact CB-CG2 4.39Å; A79-I153 WeakPolarHBondContact O-CG2 3.39Å; L82-I153 HydrophobicContact CB-CG1 4.46Å; L82-I153 HydrophobicContact CB-CG2 3.53Å; L82-I153 HydrophobicContact CD1-CG2 4.28Å; A86-I153 HydrophobicContact CB-CD1 3.75Å; A149-I153 WeakPolarHBondContact O-CD1 3.38Å; A149-I153 WeakPolarHBondContact O-CG1 3.19Å; A149-I153 PolarHBondContact O-N 3.42Å; K150-I153 PolarHBondContact O-N 3.39Å; I153-L157 WeakPolarHBondContact O-CA 3.39Å; I153-L157 PolarHBondContact O-N 3.23Å; I153-V160 HydrophobicContact CD1-CB 4.11Å; I153-V160 HydrophobicContact CD1-CG2 4.24Å; I153-V160 HydrophobicContact CG1-CB 4.14Å; I153-V160 HydrophobicContact CG1-CG2 3.73Å |
| 154 | R | 91.6 | Very high | 94 | Very high | 115 Ų | 115 | 24.1 Ų | 24.1 | 43% | 0.434 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -67.9 | -39.6 | -173.9 | -71.3 | 174.9 | -173.5 | 150.5 | 0.4 | 113 | E96 K150 H151 | E96-R154 IonicContact OE1-CZ 2.73Å; E96-R154 VanDerWaalsContact OE1-CZ 3.31Å; E96-R154 IonicContact OE1-NH1 2.63Å; E96-R154 PolarHBondContact OE1-NH1 3.28Å; E96-R154 IonicContact OE1-NH2 3.95Å; E96-R154 PolarHBondContact OE1-NH2 2.78Å; E96-R154 IonicContact OE2-CZ 2.64Å; E96-R154 IonicContact OE2-NH1 2.72Å; E96-R154 PolarHBondContact OE2-NH1 3.21Å; K150-R154 WeakPolarHBondContact O-CB 3.31Å; K150-R154 VanDerWaalsContact O-CG 3.25Å; K150-R154 WeakPolarHBondContact O-CG 3.45Å; K150-R154 PolarHBondContact O-N 3.43Å; H151-R154 PolarHBondContact O-N 3.34Å |
| 155 | N | 92.3 | Very high | 93.5 | Very high | 95 Ų | 95 | 24.1 Ų | 24.1 | 51% | 0.508 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -93.4 | -25 | -172.7 | -64.7 | -28.1 | 0 | 0 | 0 | 113.5 | H151 | H151-N155 PolarHBondContact CD2-ND2 2.92Å; H151-N155 VanDerWaalsContact CD2-ND2 3.34Å; H151-N155 PolarHBondContact CE1-ND2 3.43Å; H151-N155 PolarHBondContact ND1-ND2 3.17Å; H151-N155 PolarHBondContact NE2-ND2 3.44Å; H151-N155 WeakPolarHBondContact O-CB 3.4Å; H151-N155 PolarHBondContact O-N 3.46Å; H151-N155 PolarHBondContact O-ND2 3.41Å |
| 156 | Y | 93.4 | Very high | 93 | Very high | 81 Ų | 81 | 27.6 Ų | 27.6 | 32% | 0.318 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -125.5 | -3.2 | -175.1 | -51.7 | -86.8 | 0 | 0 | 0 | 114.1 | A118 E119 W121 P122 I152 A158 | A118-Y156 WeakPolarHBondContact O-CE2 3.38Å; E119-Y156 PolarHBondContact O-OH 3.43Å; W121-Y156 HydrophobicContact CB-CD1 4.44Å; W121-Y156 HydrophobicContact CB-CD2 3.79Å; W121-Y156 HydrophobicContact CB-CE1 4.34Å; W121-Y156 HydrophobicContact CB-CE2 3.66Å; W121-Y156 HydrophobicContact CB-CG 4.18Å; W121-Y156 AromaticContact CD1-CD2 3.8Å; W121-Y156 AromaticContact CD1-CG 3.55Å; W121-Y156 HydrophobicContact CG-CD2 4.04Å; W121-Y156 HydrophobicContact CG-CE2 4.41Å; W121-Y156 HydrophobicContact CG-CG 4.2Å; P122-Y156 HydrophobicContact CG-CD1 3.97Å; P122-Y156 HydrophobicContact CG-CE1 3.61Å; I152-Y156 WeakPolarHBondContact O-CA 3.5Å; I152-Y156 WeakPolarHBondContact O-CB 3.32Å; I152-Y156 PolarHBondContact O-N 2.91Å; Y156-A158 PolarHBondContact O-N 3.28Å; Y156-A158 VanDerWaalsContact O-N 3.15Å |
| 157 | L | 91.8 | Very high | 92.6 | Very high | 53 Ų | 53 | 34.4 Ų | 34.4 | 28% | 0.277 | 16% | 0.159 | S | C | . | . | trans | 53.4 | 31.6 | -179.2 | -59.6 | 173.3 | 0 | 0 | 0 | 113.6 | K78 A79 L82 I153 | K78-L157 HydrophobicContact CB-CD2 4.31Å; K78-L157 HydrophobicContact CD-CD1 4.39Å; K78-L157 HydrophobicContact CG-CD2 4.39Å; A79-L157 HydrophobicContact CB-CD2 3.91Å; L82-L157 HydrophobicContact CD1-CB 4.37Å; L82-L157 WeakPolarHBondContact CD1-O 3.43Å; I153-L157 WeakPolarHBondContact O-CA 3.39Å; I153-L157 PolarHBondContact O-N 3.23Å | ||
| 158 | A | 93.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | trans | -80.9 | 147.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W121 I152 Y156 V160 D195 | W121-A158 HydrophobicContact CZ2-CB 4.25Å; I152-A158 HydrophobicContact CG2-CB 3.72Å; Y156-A158 PolarHBondContact O-N 3.28Å; Y156-A158 VanDerWaalsContact O-N 3.15Å; A158-V160 PolarHBondContact O-N 2.71Å; A158-D195 WeakPolarHBondContact CA-OD2 3.47Å; A158-D195 HydrophobicContact CB-CB 3.97Å | ||
| 159 | S | 93.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | trans | -76.1 | 117.9 | 175.4 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | D195 L196 | S159-D195 WeakPolarHBondContact CB-OD2 3.41Å; S159-D195 PolarHBondContact N-OD2 2.87Å; S159-D195 WeakPolarHBondContact O-CB 3.34Å; S159-D195 PolarHBondContact O-N 3.33Å; S159-D195 VanDerWaalsContact OG-CG 3.24Å; S159-D195 PolarHBondContact OG-N 3.28Å; S159-D195 PolarHBondContact OG-OD2 2.86Å; S159-L196 PolarHBondContact O-N 2.81Å | ||
| 160 | V | 95.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.2 | -178.3 | -175 | 0 | 0 | 0 | 0 | 109.1 | A86 A149 I152 I153 A158 L196 | A86-V160 WeakPolarHBondContact CA-O 3.1Å; A86-V160 WeakPolarHBondContact CB-O 3.49Å; A149-V160 HydrophobicContact CB-CG1 3.74Å; I152-V160 HydrophobicContact CG2-CG2 3.97Å; I153-V160 HydrophobicContact CD1-CB 4.11Å; I153-V160 HydrophobicContact CD1-CG2 4.24Å; I153-V160 HydrophobicContact CG1-CB 4.14Å; I153-V160 HydrophobicContact CG1-CG2 3.73Å; A158-V160 PolarHBondContact O-N 2.71Å; V160-L196 VanDerWaalsContact CA-O 3.32Å; V160-L196 WeakPolarHBondContact CA-O 3.11Å; V160-L196 HydrophobicContact CB-CB 4.38Å; V160-L196 HydrophobicContact CG1-CB 4.05Å; V160-L196 HydrophobicContact CG1-CD2 3.99Å; V160-L196 HydrophobicContact CG1-CG 4.2Å; V160-L196 HydrophobicContact CG2-CB 3.98Å; V160-L196 HydrophobicContact CG2-CD2 4.41Å |
| 161 | E | 95 | Very high | 90.5 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 127.5 | 169.9 | -169.7 | 162.8 | 158.2 | 0 | 0 | 110.7 | R190 Y191 M194 L196 L197 I198 | E161-R190 IonicContact OE1-NH2 2.86Å; E161-R190 IonicContact OE2-CZ 3.54Å; E161-R190 IonicContact OE2-NE 3.69Å; E161-R190 PolarHBondContact OE2-NE 2.85Å; E161-R190 VanDerWaalsContact OE2-NE 3.1Å; E161-R190 IonicContact OE2-NH2 2.83Å; E161-R190 PolarHBondContact OE2-NH2 3.31Å; E161-Y191 VanDerWaalsContact CD-CE1 3.42Å; E161-Y191 HydrophobicContact CG-CE1 4.15Å; E161-Y191 WeakPolarHBondContact OE1-CE1 3.47Å; E161-Y191 PolarHBondContact OE1-OH 2.86Å; E161-M194 HydrophobicContact CB-CG 4.27Å; E161-M194 HydrophobicContact CB-SD 4.47Å; E161-L196 PolarHBondContact N-O 2.95Å; E161-L196 VanDerWaalsContact N-O 3.1Å; E161-L197 HydrophobicContact CB-CD1 4.39Å; E161-I198 PolarHBondContact O-N 3.46Å |
| 162 | I | 95 | Very high | 90 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 118.3 | 171.2 | -50.5 | -174.9 | 0 | 0 | 0 | 108.2 | A86 I88 V146 A149 I198 | A86-I162 WeakPolarHBondContact O-CB 3.43Å; A86-I162 WeakPolarHBondContact O-CG1 3.33Å; A86-I162 PolarHBondContact O-N 3.01Å; I88-I162 HydrophobicContact CG1-CD1 3.95Å; V146-I162 HydrophobicContact CG2-CD1 3.72Å; A149-I162 HydrophobicContact CB-CD1 3.98Å; A149-I162 HydrophobicContact CB-CG1 4.45Å; I162-I198 WeakPolarHBondContact CA-O 3.41Å; I162-I198 HydrophobicContact CB-CB 4.44Å; I162-I198 HydrophobicContact CD1-CD1 4.29Å; I162-I198 HydrophobicContact CG1-CB 4.12Å; I162-I198 HydrophobicContact CG1-CD1 4.09Å; I162-I198 HydrophobicContact CG1-CG1 4.35Å; I162-I198 HydrophobicContact CG2-CB 4.33Å; I162-I198 HydrophobicContact CG2-CG2 4.31Å |
| 163 | T | 92.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 176.7 | -179.4 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | R167 L168 Y191 L197 I198 D200 | T163-R167 WeakPolarHBondContact OG1-CB 3.17Å; T163-L168 HydrophobicContact CG2-CB 4.45Å; T163-L168 HydrophobicContact CG2-CD1 4.29Å; T163-Y191 HydrophobicContact CG2-CE1 4.07Å; T163-L197 HydrophobicContact CG2-CD1 4.17Å; T163-I198 PolarHBondContact N-O 3.36Å; T163-D200 PolarHBondContact O-N 2.86Å |
| 164 | D | 89.5 | Confident | 88.8 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 157.4 | 170.9 | 64.4 | 65.7 | 0 | 0 | 0 | 109.2 | M166 R167 L168 D200 | D164-M166 PolarHBondContact O-N 3.34Å; D164-M166 VanDerWaalsContact O-N 3.17Å; D164-M166 WeakPolarHBondContact OD1-CA 3.43Å; D164-M166 WeakPolarHBondContact OD1-CB 2.97Å; D164-M166 PolarHBondContact OD1-N 3.44Å; D164-M166 VanDerWaalsContact OD1-N 3.11Å; D164-R167 PolarHBondContact O-N 3.14Å; D164-R167 VanDerWaalsContact O-N 3.11Å; D164-R167 WeakPolarHBondContact OD1-CG 3.33Å; D164-R167 PolarHBondContact OD1-N 3.04Å; D164-R167 WeakPolarHBondContact OD2-CD 3.28Å; D164-R167 VanDerWaalsContact OD2-CG 3.28Å; D164-R167 WeakPolarHBondContact OD2-CG 3.44Å; D164-R167 IonicContact OD2-NE 3.04Å; D164-R167 PolarHBondContact OD2-NE 3.06Å; D164-L168 PolarHBondContact O-N 3.44Å; D164-D200 WeakPolarHBondContact CA-O 3.5Å |
| 165 | V | 84.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -27.1 | -173.8 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | T169 I199 D200 V202 L215 | V165-T169 HydrophobicContact CG1-CG2 4.2Å; V165-T169 WeakPolarHBondContact O-CB 3.31Å; V165-T169 WeakPolarHBondContact O-CG2 3.4Å; V165-T169 PolarHBondContact O-N 3.37Å; V165-T169 PolarHBondContact O-OG1 2.93Å; V165-I199 HydrophobicContact CG2-CG2 3.45Å; V165-I199 VanDerWaalsContact CG2-CG2 3.45Å; V165-D200 PolarHBondContact N-O 3.11Å; V165-V202 HydrophobicContact CG2-CG2 3.98Å; V165-L215 HydrophobicContact CG1-CD1 4.39Å; V165-L215 HydrophobicContact CG1-CD2 4.05Å; V165-L215 HydrophobicContact CG2-CD1 4.05Å; V165-L215 HydrophobicContact CG2-CD2 4.03Å |
| 166 | M | 82.4 | Confident | 87.6 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 37% | 0.365 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.3 | -40.6 | 174.8 | -76.7 | -63.8 | 88.6 | 0 | 0 | 112.6 | D164 T169 R170 Q205 E211 | D164-M166 PolarHBondContact O-N 3.34Å; D164-M166 VanDerWaalsContact O-N 3.17Å; D164-M166 WeakPolarHBondContact OD1-CA 3.43Å; D164-M166 WeakPolarHBondContact OD1-CB 2.97Å; D164-M166 PolarHBondContact OD1-N 3.44Å; D164-M166 VanDerWaalsContact OD1-N 3.11Å; M166-T169 WeakPolarHBondContact CA-OG1 3.06Å; M166-T169 PolarHBondContact O-OG1 3.4Å; M166-T169 VanDerWaalsContact O-OG1 3.05Å; M166-R170 WeakPolarHBondContact O-CB 3.15Å; M166-R170 PolarHBondContact O-N 3.33Å; M166-Q205 HydrophobicContact CE-CB 4.05Å; M166-Q205 HydrophobicContact CE-CG 3.61Å; M166-Q205 HydrophobicContact CG-CG 3.99Å; M166-Q205 HydrophobicContact SD-CG 4.14Å; M166-E211 WeakPolarHBondContact CE-OE2 3.45Å |
| 167 | R | 87 | Confident | 86.8 | Confident | 147 Ų | 147 | 51.3 Ų | 51.3 | 56% | 0.555 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.1 | -45.1 | 174.6 | -77.3 | 178.6 | -169.5 | -137.4 | -5.6 | 111.4 | T163 D164 R170 A171 | T163-R167 WeakPolarHBondContact OG1-CB 3.17Å; D164-R167 PolarHBondContact O-N 3.14Å; D164-R167 VanDerWaalsContact O-N 3.11Å; D164-R167 WeakPolarHBondContact OD1-CG 3.33Å; D164-R167 PolarHBondContact OD1-N 3.04Å; D164-R167 WeakPolarHBondContact OD2-CD 3.28Å; D164-R167 VanDerWaalsContact OD2-CG 3.28Å; D164-R167 WeakPolarHBondContact OD2-CG 3.44Å; D164-R167 IonicContact OD2-NE 3.04Å; D164-R167 PolarHBondContact OD2-NE 3.06Å; R167-R170 PolarHBondContact O-N 3.16Å; R167-A171 WeakPolarHBondContact O-CB 3.34Å; R167-A171 PolarHBondContact O-N 3.48Å |
| 168 | L | 85.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 179.2 | -174.8 | 158.5 | 0 | 0 | 0 | 110.9 | T163 D164 R170 A171 V172 Y191 I214 I218 | T163-L168 HydrophobicContact CG2-CB 4.45Å; T163-L168 HydrophobicContact CG2-CD1 4.29Å; D164-L168 PolarHBondContact O-N 3.44Å; L168-R170 VanDerWaalsContact C-N 3.35Å; L168-R170 PolarHBondContact O-N 3Å; L168-A171 WeakPolarHBondContact O-CB 3.42Å; L168-A171 PolarHBondContact O-N 3.04Å; L168-V172 PolarHBondContact O-N 3.21Å; L168-V172 VanDerWaalsContact O-N 3.17Å; L168-Y191 HydrophobicContact CD1-CG 4.39Å; L168-Y191 HydrophobicContact CG-CD2 4.21Å; L168-Y191 HydrophobicContact CG-CE2 4.3Å; L168-I214 HydrophobicContact CD2-CG2 3.63Å; L168-I218 HydrophobicContact CD1-CD1 3.64Å; L168-I218 HydrophobicContact CD2-CD1 3.33Å; L168-I218 HydrophobicContact CG-CD1 3.71Å |
| 169 | T | 82.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 178.4 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | V165 M166 V172 K173 E211 | V165-T169 HydrophobicContact CG1-CG2 4.2Å; V165-T169 WeakPolarHBondContact O-CB 3.31Å; V165-T169 WeakPolarHBondContact O-CG2 3.4Å; V165-T169 PolarHBondContact O-N 3.37Å; V165-T169 PolarHBondContact O-OG1 2.93Å; M166-T169 WeakPolarHBondContact CA-OG1 3.06Å; M166-T169 PolarHBondContact O-OG1 3.4Å; M166-T169 VanDerWaalsContact O-OG1 3.05Å; T169-V172 PolarHBondContact O-N 2.92Å; T169-K173 WeakPolarHBondContact O-CB 3.36Å; T169-K173 VanDerWaalsContact O-CG 3.3Å; T169-K173 WeakPolarHBondContact O-CG 3.25Å; T169-K173 PolarHBondContact O-N 3.3Å; T169-E211 HydrophobicContact CG2-CB 3.81Å; T169-E211 HydrophobicContact CG2-CG 3.89Å |
| 170 | R | 84.3 | Confident | 83.5 | Confident | 176 Ų | 176 | 64 Ų | 64 | 66% | 0.664 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 174.8 | -172.8 | 174.5 | -177.4 | 176.3 | -0.5 | 112.3 | M166 R167 L168 K173 N174 | M166-R170 WeakPolarHBondContact O-CB 3.15Å; M166-R170 PolarHBondContact O-N 3.33Å; R167-R170 PolarHBondContact O-N 3.16Å; L168-R170 VanDerWaalsContact C-N 3.35Å; L168-R170 PolarHBondContact O-N 3Å; R170-K173 PolarHBondContact O-N 3.17Å; R170-N174 WeakPolarHBondContact O-CB 3.31Å; R170-N174 PolarHBondContact O-N 3.49Å; R170-N174 PolarHBondContact O-ND2 3.5Å |
| 171 | A | 86.2 | Confident | 82.6 | Confident | 25 Ų | 25 | 73 Ų | 73 | 21% | 0.207 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R167 L168 V187 Y191 | R167-A171 WeakPolarHBondContact O-CB 3.34Å; R167-A171 PolarHBondContact O-N 3.48Å; L168-A171 WeakPolarHBondContact O-CB 3.42Å; L168-A171 PolarHBondContact O-N 3.04Å; A171-V187 HydrophobicContact CB-CG1 3.72Å; A171-Y191 HydrophobicContact CB-CE2 4.38Å |
| 172 | V | 83.9 | Confident | 82 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | L168 T169 N174 C175 A184 V187 I188 I214 | L168-V172 PolarHBondContact O-N 3.21Å; L168-V172 VanDerWaalsContact O-N 3.17Å; T169-V172 PolarHBondContact O-N 2.92Å; V172-N174 VanDerWaalsContact C-N 3.29Å; V172-N174 PolarHBondContact O-N 3.35Å; V172-C175 WeakPolarHBondContact O-CB 3.36Å; V172-C175 PolarHBondContact O-N 3.35Å; V172-C175 VanDerWaalsContact O-N 3.13Å; V172-A184 HydrophobicContact CG1-CB 4.05Å; V172-V187 HydrophobicContact CG2-CB 4.49Å; V172-V187 HydrophobicContact CG2-CG1 3.97Å; V172-I188 HydrophobicContact CG2-CG1 3.97Å; V172-I214 HydrophobicContact CB-CD1 4.12Å; V172-I214 HydrophobicContact CB-CG2 4.33Å; V172-I214 HydrophobicContact CG1-CD1 3.77Å; V172-I214 HydrophobicContact CG1-CG1 4.21Å; V172-I214 HydrophobicContact CG1-CG2 4.47Å; V172-I214 HydrophobicContact CG2-CG2 3.84Å |
| 173 | K | 82 | Confident | 81.5 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -30.2 | 179.5 | -77.1 | 179.4 | 174 | -176.6 | 0 | 113.7 | T169 R170 C175 W176 E211 | T169-K173 WeakPolarHBondContact O-CB 3.36Å; T169-K173 VanDerWaalsContact O-CG 3.3Å; T169-K173 WeakPolarHBondContact O-CG 3.25Å; T169-K173 PolarHBondContact O-N 3.3Å; R170-K173 PolarHBondContact O-N 3.17Å; K173-C175 PolarHBondContact O-N 3.06Å; K173-W176 HydrophobicContact CG-CE3 4.11Å; K173-W176 HydrophobicContact CG-CH2 4.38Å; K173-W176 HydrophobicContact CG-CZ3 3.93Å; K173-W176 WeakPolarHBondContact O-CB 3.36Å; K173-W176 PolarHBondContact O-N 2.97Å; K173-W176 VanDerWaalsContact O-N 3.13Å; K173-E211 IonicContact NZ-OE1 3.56Å; K173-E211 PolarHBondContact NZ-OE1 3.4Å |
| 174 | N | 83.2 | Confident | 81 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.1 | -26.8 | 176.6 | -75 | -22.5 | 0 | 0 | 0 | 112.1 | R170 V172 W176 R177 | R170-N174 WeakPolarHBondContact O-CB 3.31Å; R170-N174 PolarHBondContact O-N 3.49Å; R170-N174 PolarHBondContact O-ND2 3.5Å; V172-N174 VanDerWaalsContact C-N 3.29Å; V172-N174 PolarHBondContact O-N 3.35Å; N174-W176 PolarHBondContact O-N 3.26Å; N174-R177 PolarHBondContact O-N 3.11Å |
| 175 | C | 81.5 | Confident | 80.8 | Confident | 20 Ų | 20 | 84.8 Ų | 84.8 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -7.2 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | V172 K173 R177 S180 K182 A184 V187 | V172-C175 WeakPolarHBondContact O-CB 3.36Å; V172-C175 PolarHBondContact O-N 3.35Å; V172-C175 VanDerWaalsContact O-N 3.13Å; K173-C175 PolarHBondContact O-N 3.06Å; C175-R177 VanDerWaalsContact C-N 3.29Å; C175-S180 WeakPolarHBondContact CA-OG 3.33Å; C175-S180 PolarHBondContact O-OG 3.05Å; C175-S180 VanDerWaalsContact O-OG 3.1Å; C175-K182 WeakPolarHBondContact CB-O 3.47Å; C175-K182 PolarHBondContact SG-O 3.43Å; C175-A184 HydrophobicContact CB-CB 4.36Å; C175-V187 WeakPolarHBondContact SG-CG2 3.22Å |
| 176 | W | 77.3 | Confident | 80.9 | Confident | 151 Ų | 151 | 89.7 Ų | 89.7 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 3 | 174.4 | -59.5 | -14.3 | 0 | 0 | 0 | 112.8 | K173 N174 | K173-W176 HydrophobicContact CG-CE3 4.11Å; K173-W176 HydrophobicContact CG-CH2 4.38Å; K173-W176 HydrophobicContact CG-CZ3 3.93Å; K173-W176 WeakPolarHBondContact O-CB 3.36Å; K173-W176 PolarHBondContact O-N 2.97Å; K173-W176 VanDerWaalsContact O-N 3.13Å; N174-W176 PolarHBondContact O-N 3.26Å |
| 177 | R | 75.6 | Confident | 81.1 | Confident | 164 Ų | 164 | 86.9 Ų | 86.9 | 62% | 0.619 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -82.7 | 141.7 | 171.5 | -63.9 | -177.3 | 157.4 | -169.4 | -5.8 | 109.8 | N174 C175 D179 S180 | N174-R177 PolarHBondContact O-N 3.11Å; C175-R177 VanDerWaalsContact C-N 3.29Å; R177-D179 WeakPolarHBondContact CB-OD1 3.24Å; R177-D179 PolarHBondContact O-N 3.41Å; R177-S180 PolarHBondContact O-N 2.99Å; R177-S180 VanDerWaalsContact O-N 3.13Å; R177-S180 PolarHBondContact O-OG 3.23Å |
| 178 | N | 66.4 | Low | 81.1 | Confident | 182 Ų | 182 | 80.6 Ų | 80.6 | 97% | 0.973 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -10.2 | -177.6 | -68.3 | -17 | 0 | 0 | 0 | 114.4 | ||
| 179 | D | 75 | Confident | 81.3 | Confident | 128 Ų | 128 | 86.4 Ų | 86.4 | 68% | 0.684 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 6.8 | -178.5 | 63.6 | -20.4 | 0 | 0 | 0 | 114 | R177 E181 | R177-D179 WeakPolarHBondContact CB-OD1 3.24Å; R177-D179 PolarHBondContact O-N 3.41Å; D179-E181 PolarHBondContact O-N 3.3Å |
| 180 | S | 68.7 | Low | 81.7 | Confident | 46 Ų | 46 | 91.5 Ų | 91.5 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | trans | -74.8 | 128.4 | -178.3 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | C175 R177 K182 | C175-S180 WeakPolarHBondContact CA-OG 3.33Å; C175-S180 PolarHBondContact O-OG 3.05Å; C175-S180 VanDerWaalsContact O-OG 3.1Å; R177-S180 PolarHBondContact O-N 2.99Å; R177-S180 VanDerWaalsContact O-N 3.13Å; R177-S180 PolarHBondContact O-OG 3.23Å; S180-K182 PolarHBondContact O-N 3Å; S180-K182 PolarHBondContact OG-O 3.28Å | ||
| 181 | E | 77.2 | Confident | 82 | Confident | 193 Ų | 193 | 83.8 Ų | 83.8 | 90% | 0.902 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -70.8 | -19.5 | 174 | -66.1 | -177.8 | 168.6 | 0 | 0 | 113.5 | D179 | D179-E181 PolarHBondContact O-N 3.3Š|
| 182 | K | 81 | Confident | 82.3 | Confident | 118 Ų | 118 | 82.9 Ų | 82.9 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -113.8 | 143.3 | -176.8 | -63.5 | -172.8 | 179.3 | -173.2 | 0 | 112.2 | C175 S180 E186 V187 | C175-K182 WeakPolarHBondContact CB-O 3.47Å; C175-K182 PolarHBondContact SG-O 3.43Å; S180-K182 PolarHBondContact O-N 3Å; S180-K182 PolarHBondContact OG-O 3.28Å; K182-E186 WeakPolarHBondContact CA-OE2 3.43Å; K182-E186 WeakPolarHBondContact CB-OE2 3.48Å; K182-V187 HydrophobicContact CB-CG2 4.47Å |
| 183 | T | 84.5 | Confident | 82.6 | Confident | 70 Ų | 70 | 85.8 Ų | 85.8 | 43% | 0.429 | 42% | 0.42 | S | S | . | . | trans | -81.1 | 160.3 | 173.8 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | D185 E186 V187 | T183-D185 PolarHBondContact O-N 2.95Å; T183-E186 PolarHBondContact N-OE2 2.92Å; T183-E186 PolarHBondContact O-N 3.24Å; T183-E186 VanDerWaalsContact OG1-CG 3.26Å; T183-E186 WeakPolarHBondContact OG1-CG 3.38Å; T183-E186 PolarHBondContact OG1-N 3.36Å; T183-E186 VanDerWaalsContact OG1-N 3.16Å; T183-V187 PolarHBondContact O-N 3.32Å | ||
| 184 | A | 82.9 | Confident | 83.1 | Confident | 20 Ų | 20 | 83.9 Ų | 83.9 | 17% | 0.165 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V172 C175 E186 V187 I188 | V172-A184 HydrophobicContact CG1-CB 4.05Å; C175-A184 HydrophobicContact CB-CB 4.36Å; A184-E186 PolarHBondContact O-N 2.86Å; A184-V187 PolarHBondContact O-N 2.92Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; A184-I188 PolarHBondContact O-N 3.45Å |
| 185 | D | 85.3 | Confident | 83.7 | Confident | 116 Ų | 116 | 82.7 Ų | 82.7 | 62% | 0.62 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 178.5 | -59.5 | -11.3 | 0 | 0 | 0 | 111.6 | T183 V187 I188 E189 | T183-D185 PolarHBondContact O-N 2.95Å; D185-V187 VanDerWaalsContact C-N 3.29Å; D185-V187 PolarHBondContact O-N 2.71Å; D185-I188 PolarHBondContact O-N 3.11Å; D185-E189 VanDerWaalsContact O-CB 3.25Å; D185-E189 WeakPolarHBondContact O-CB 3.38Å; D185-E189 PolarHBondContact O-N 3.46Å |
| 186 | E | 85.9 | Confident | 84.3 | Confident | 103 Ų | 103 | 81.8 Ų | 81.8 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 175.4 | -77.6 | 168.7 | -179.8 | 0 | 0 | 112.9 | K182 T183 A184 R190 | K182-E186 WeakPolarHBondContact CA-OE2 3.43Å; K182-E186 WeakPolarHBondContact CB-OE2 3.48Å; T183-E186 PolarHBondContact N-OE2 2.92Å; T183-E186 PolarHBondContact O-N 3.24Å; T183-E186 VanDerWaalsContact OG1-CG 3.26Å; T183-E186 WeakPolarHBondContact OG1-CG 3.38Å; T183-E186 PolarHBondContact OG1-N 3.36Å; T183-E186 VanDerWaalsContact OG1-N 3.16Å; A184-E186 PolarHBondContact O-N 2.86Å; E186-R190 PolarHBondContact O-N 3.22Å |
| 187 | V | 87.9 | Confident | 85.2 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.9 | -40.7 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 111 | A171 V172 C175 K182 T183 A184 D185 R190 Y191 | A171-V187 HydrophobicContact CB-CG1 3.72Å; V172-V187 HydrophobicContact CG2-CB 4.49Å; V172-V187 HydrophobicContact CG2-CG1 3.97Å; C175-V187 WeakPolarHBondContact SG-CG2 3.22Å; K182-V187 HydrophobicContact CB-CG2 4.47Å; T183-V187 PolarHBondContact O-N 3.32Å; A184-V187 PolarHBondContact O-N 2.92Å; D185-V187 VanDerWaalsContact C-N 3.29Å; D185-V187 PolarHBondContact O-N 2.71Å; V187-R190 WeakPolarHBondContact O-CB 3.47Å; V187-R190 PolarHBondContact O-N 3.48Å; V187-Y191 HydrophobicContact CG1-CD2 4.23Å; V187-Y191 HydrophobicContact CG1-CE2 3.95Å; V187-Y191 WeakPolarHBondContact O-CD2 3.27Å; V187-Y191 PolarHBondContact O-N 2.9Å |
| 188 | I | 87.1 | Confident | 86.1 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 175.7 | -70.5 | 168.8 | 0 | 0 | 0 | 110 | V172 A184 D185 R190 Y191 A192 E217 I218 | V172-I188 HydrophobicContact CG2-CG1 3.97Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; A184-I188 PolarHBondContact O-N 3.45Å; D185-I188 PolarHBondContact O-N 3.11Å; I188-R190 VanDerWaalsContact C-N 3.29Å; I188-R190 PolarHBondContact O-N 2.83Å; I188-Y191 PolarHBondContact O-N 3.43Å; I188-A192 WeakPolarHBondContact O-CB 3.43Å; I188-A192 PolarHBondContact O-N 3.34Å; I188-E217 HydrophobicContact CG2-CG 4.49Å; I188-I218 HydrophobicContact CG2-CG1 3.95Å |
| 189 | E | 89 | Confident | 87.3 | Confident | 121 Ų | 121 | 58.1 Ų | 58.1 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 179.2 | -171.5 | 62.5 | -160.2 | 0 | 0 | 111.9 | D185 Y191 A192 S193 | D185-E189 VanDerWaalsContact O-CB 3.25Å; D185-E189 WeakPolarHBondContact O-CB 3.38Å; D185-E189 PolarHBondContact O-N 3.46Å; E189-Y191 VanDerWaalsContact C-N 3.33Å; E189-Y191 PolarHBondContact O-N 3.36Å; E189-A192 PolarHBondContact O-N 3.48Å; E189-S193 VanDerWaalsContact O-CB 3.29Å; E189-S193 WeakPolarHBondContact O-CB 3.41Å; E189-S193 PolarHBondContact O-N 2.89Å; E189-S193 PolarHBondContact O-OG 3.16Å |
| 190 | R | 89.9 | Confident | 88 | Confident | 111 Ų | 111 | 53 Ų | 53 | 42% | 0.419 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 172.8 | 176.2 | -174.7 | 166.2 | 165.7 | 3.9 | 111.6 | E161 E186 V187 I188 S193 M194 | E161-R190 IonicContact OE1-NH2 2.86Å; E161-R190 IonicContact OE2-CZ 3.54Å; E161-R190 IonicContact OE2-NE 3.69Å; E161-R190 PolarHBondContact OE2-NE 2.85Å; E161-R190 VanDerWaalsContact OE2-NE 3.1Å; E161-R190 IonicContact OE2-NH2 2.83Å; E161-R190 PolarHBondContact OE2-NH2 3.31Å; E186-R190 PolarHBondContact O-N 3.22Å; V187-R190 WeakPolarHBondContact O-CB 3.47Å; V187-R190 PolarHBondContact O-N 3.48Å; I188-R190 VanDerWaalsContact C-N 3.29Å; I188-R190 PolarHBondContact O-N 2.83Å; R190-S193 PolarHBondContact O-OG 2.67Å; R190-M194 HydrophobicContact CG-CE 3.67Å; R190-M194 WeakPolarHBondContact O-CE 3.33Å; R190-M194 WeakPolarHBondContact O-CG 3.5Å |
| 191 | Y | 91.9 | Very high | 88.7 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 6% | 0.059 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.9 | -32.4 | 179.1 | -72.9 | -66.2 | 0 | 0 | 0 | 112.5 | E161 T163 L168 A171 V187 I188 E189 L197 I218 R222 | E161-Y191 VanDerWaalsContact CD-CE1 3.42Å; E161-Y191 HydrophobicContact CG-CE1 4.15Å; E161-Y191 WeakPolarHBondContact OE1-CE1 3.47Å; E161-Y191 PolarHBondContact OE1-OH 2.86Å; T163-Y191 HydrophobicContact CG2-CE1 4.07Å; L168-Y191 HydrophobicContact CD1-CG 4.39Å; L168-Y191 HydrophobicContact CG-CD2 4.21Å; L168-Y191 HydrophobicContact CG-CE2 4.3Å; A171-Y191 HydrophobicContact CB-CE2 4.38Å; V187-Y191 HydrophobicContact CG1-CD2 4.23Å; V187-Y191 HydrophobicContact CG1-CE2 3.95Å; V187-Y191 WeakPolarHBondContact O-CD2 3.27Å; V187-Y191 PolarHBondContact O-N 2.9Å; I188-Y191 PolarHBondContact O-N 3.43Å; E189-Y191 VanDerWaalsContact C-N 3.33Å; E189-Y191 PolarHBondContact O-N 3.36Å; Y191-L197 HydrophobicContact CD1-CD1 3.76Å; Y191-L197 HydrophobicContact CE1-CD1 4.45Å; Y191-I218 HydrophobicContact CD2-CD1 4.44Å; Y191-R222 PolarHBondContact O-NH1 3.5Å |
| 192 | A | 91.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.9 | -32.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I188 E189 A221 R222 L227 | I188-A192 WeakPolarHBondContact O-CB 3.43Å; I188-A192 PolarHBondContact O-N 3.34Å; E189-A192 PolarHBondContact O-N 3.48Å; A192-A221 HydrophobicContact CB-CB 4.05Å; A192-R222 PolarHBondContact O-NH1 2.89Å; A192-R222 VanDerWaalsContact O-NH1 3.14Å; A192-L227 WeakPolarHBondContact O-CD1 3.21Å |
| 193 | S | 92.1 | Very high | 88.4 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -89.7 | -10.8 | -173.6 | 56.5 | 0 | 0 | 0 | 0 | 116.4 | E189 R190 | E189-S193 VanDerWaalsContact O-CB 3.29Å; E189-S193 WeakPolarHBondContact O-CB 3.41Å; E189-S193 PolarHBondContact O-N 2.89Å; E189-S193 PolarHBondContact O-OG 3.16Å; R190-S193 PolarHBondContact O-OG 2.67Å |
| 194 | M | 92.2 | Very high | 87.4 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 15% | 0.148 | 22% | 0.217 | C | C | . | . | trans | -61.3 | 141.6 | 179.3 | -64.9 | -68.3 | 163.9 | 0 | 0 | 111.6 | E161 R190 L196 R222 | E161-M194 HydrophobicContact CB-CG 4.27Å; E161-M194 HydrophobicContact CB-SD 4.47Å; R190-M194 HydrophobicContact CG-CE 3.67Å; R190-M194 WeakPolarHBondContact O-CE 3.33Å; R190-M194 WeakPolarHBondContact O-CG 3.5Å; M194-L196 VanDerWaalsContact C-N 3.26Å; M194-L196 PolarHBondContact O-N 3.24Å; M194-R222 VanDerWaalsContact O-CZ 3.26Å; M194-R222 PolarHBondContact O-NH1 2.78Å; M194-R222 PolarHBondContact O-NH2 2.85Å | ||
| 195 | D | 94.4 | Very high | 86.1 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -61.1 | -38.5 | 176.4 | -58.3 | -56.9 | 0 | 0 | 0 | 110.9 | W121 L125 A158 S159 P228 | W121-D195 WeakPolarHBondContact CH2-O 3.45Å; W121-D195 HydrophobicContact CZ2-CB 3.99Å; L125-D195 HydrophobicContact CD1-CB 4.26Å; A158-D195 WeakPolarHBondContact CA-OD2 3.47Å; A158-D195 HydrophobicContact CB-CB 3.97Å; S159-D195 WeakPolarHBondContact CB-OD2 3.41Å; S159-D195 PolarHBondContact N-OD2 2.87Å; S159-D195 WeakPolarHBondContact O-CB 3.34Å; S159-D195 PolarHBondContact O-N 3.33Å; S159-D195 VanDerWaalsContact OG-CG 3.24Å; S159-D195 PolarHBondContact OG-N 3.28Å; S159-D195 PolarHBondContact OG-OD2 2.86Å; D195-P228 WeakPolarHBondContact O-CD 3.25Å |
| 196 | L | 95.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 125.7 | 171.5 | -174.2 | 64.4 | 0 | 0 | 0 | 111.8 | W121 I152 S159 V160 E161 M194 I198 P228 I230 | W121-L196 HydrophobicContact CH2-CB 3.68Å; W121-L196 HydrophobicContact CH2-CD1 3.97Å; W121-L196 HydrophobicContact CH2-CD2 4.49Å; W121-L196 HydrophobicContact CH2-CG 4.27Å; W121-L196 HydrophobicContact CZ2-CB 4.28Å; W121-L196 HydrophobicContact CZ3-CB 4.38Å; W121-L196 HydrophobicContact CZ3-CD1 4Å; W121-L196 HydrophobicContact CZ3-CD2 4.41Å; I152-L196 HydrophobicContact CD1-CD2 3.66Å; S159-L196 PolarHBondContact O-N 2.81Å; V160-L196 VanDerWaalsContact CA-O 3.32Å; V160-L196 WeakPolarHBondContact CA-O 3.11Å; V160-L196 HydrophobicContact CB-CB 4.38Å; V160-L196 HydrophobicContact CG1-CB 4.05Å; V160-L196 HydrophobicContact CG1-CD2 3.99Å; V160-L196 HydrophobicContact CG1-CG 4.2Å; V160-L196 HydrophobicContact CG2-CB 3.98Å; V160-L196 HydrophobicContact CG2-CD2 4.41Å; E161-L196 PolarHBondContact N-O 2.95Å; E161-L196 VanDerWaalsContact N-O 3.1Å; M194-L196 VanDerWaalsContact C-N 3.26Å; M194-L196 PolarHBondContact O-N 3.24Å; L196-I198 HydrophobicContact CD2-CD1 4.15Å; L196-I198 HydrophobicContact CD2-CG1 4.2Å; L196-I198 HydrophobicContact CG-CG1 4.15Å; L196-P228 HydrophobicContact CD1-CB 3.89Å; L196-I230 HydrophobicContact CD1-CD1 4.07Å; L196-I230 HydrophobicContact CD1-CG1 3.91Å; L196-I230 HydrophobicContact CD2-CD1 4.17Å |
| 197 | L | 95.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.1 | 170.5 | -177.2 | 63 | 0 | 0 | 0 | 110.3 | E161 T163 Y191 I199 I218 R222 T229 I230 | E161-L197 HydrophobicContact CB-CD1 4.39Å; T163-L197 HydrophobicContact CG2-CD1 4.17Å; Y191-L197 HydrophobicContact CD1-CD1 3.76Å; Y191-L197 HydrophobicContact CE1-CD1 4.45Å; L197-I199 HydrophobicContact CD2-CD1 3.85Å; L197-I199 HydrophobicContact CD2-CG1 3.99Å; L197-I199 HydrophobicContact CG-CD1 4.27Å; L197-I199 HydrophobicContact CG-CG1 3.85Å; L197-I218 HydrophobicContact CD2-CG2 3.82Å; L197-R222 VanDerWaalsContact CB-CZ 3.43Å; L197-T229 CarbonylContact O-C 3.53Å; L197-T229 WeakPolarHBondContact O-CA 3.4Å; L197-I230 PolarHBondContact O-N 3.09Å |
| 198 | I | 95 | Very high | 82 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118 | 174 | -50.3 | -170.2 | 0 | 0 | 0 | 108.7 | A145 A149 E161 I162 T163 L196 I230 I232 | A145-I198 HydrophobicContact CB-CD1 4.3Å; A145-I198 HydrophobicContact CB-CG2 4.22Å; A149-I198 HydrophobicContact CB-CD1 4.2Å; E161-I198 PolarHBondContact O-N 3.46Å; I162-I198 WeakPolarHBondContact CA-O 3.41Å; I162-I198 HydrophobicContact CB-CB 4.44Å; I162-I198 HydrophobicContact CD1-CD1 4.29Å; I162-I198 HydrophobicContact CG1-CB 4.12Å; I162-I198 HydrophobicContact CG1-CD1 4.09Å; I162-I198 HydrophobicContact CG1-CG1 4.35Å; I162-I198 HydrophobicContact CG2-CB 4.33Å; I162-I198 HydrophobicContact CG2-CG2 4.31Å; T163-I198 PolarHBondContact N-O 3.36Å; L196-I198 HydrophobicContact CD2-CD1 4.15Å; L196-I198 HydrophobicContact CD2-CG1 4.2Å; L196-I198 HydrophobicContact CG-CG1 4.15Å; I198-I230 CarbonylContact C-O 3.54Å; I198-I230 WeakPolarHBondContact CA-O 3.47Å; I198-I230 HydrophobicContact CB-CB 4.39Å; I198-I230 HydrophobicContact CD1-CD1 4.14Å; I198-I230 HydrophobicContact CG1-CB 4.09Å; I198-I230 HydrophobicContact CG1-CD1 4.26Å; I198-I230 HydrophobicContact CG1-CG1 4.39Å; I198-I230 HydrophobicContact CG2-CB 4.16Å; I198-I230 HydrophobicContact CG2-CG2 4.27Å; I198-I232 HydrophobicContact CG2-CD1 3.86Å; I198-I232 HydrophobicContact CG2-CG1 4.32Å |
| 199 | I | 91.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.3 | -178.7 | -48.7 | -178.9 | 0 | 0 | 0 | 109.3 | V165 L197 V202 L215 T229 I230 L231 I232 | V165-I199 HydrophobicContact CG2-CG2 3.45Å; V165-I199 VanDerWaalsContact CG2-CG2 3.45Å; L197-I199 HydrophobicContact CD2-CD1 3.85Å; L197-I199 HydrophobicContact CD2-CG1 3.99Å; L197-I199 HydrophobicContact CG-CD1 4.27Å; L197-I199 HydrophobicContact CG-CG1 3.85Å; I199-V202 HydrophobicContact CB-CG2 4.18Å; I199-V202 HydrophobicContact CG2-CG2 3.7Å; I199-L215 HydrophobicContact CD1-CD1 3.99Å; I199-T229 HydrophobicContact CD1-CG2 4.34Å; I199-I230 PolarHBondContact N-O 3.37Å; I199-L231 HydrophobicContact CB-CD2 3.91Å; I199-L231 HydrophobicContact CD1-CD2 3.97Å; I199-L231 HydrophobicContact CG1-CD2 4.18Å; I199-I232 PolarHBondContact O-N 3.42Å |
| 200 | D | 89.6 | Confident | 80.5 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 161.5 | 176.4 | -160.6 | 9 | 0 | 0 | 0 | 112.4 | N142 T163 D164 V165 V202 I232 | N142-D200 PolarHBondContact ND2-OD2 3.13Å; T163-D200 PolarHBondContact O-N 2.86Å; D164-D200 WeakPolarHBondContact CA-O 3.5Å; V165-D200 PolarHBondContact N-O 3.11Å; D200-V202 VanDerWaalsContact C-N 3.26Å; D200-V202 PolarHBondContact O-N 3.28Å; D200-I232 WeakPolarHBondContact OD1-CG2 3.24Å |
| 201 | E | 83.4 | Confident | 79.7 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.379 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 56.6 | 30.7 | 177.6 | -57.2 | -169.6 | 165 | 0 | 0 | 115.2 | G203 V204 I232 | E201-G203 PolarHBondContact O-N 3.41Å; E201-V204 HydrophobicContact CB-CG2 4.3Å; E201-V204 PolarHBondContact O-N 2.94Å; E201-I232 PolarHBondContact N-O 3.39Å |
| 202 | V | 80.3 | Confident | 79 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 123.2 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | V165 I199 D200 L231 I232 S233 L240 F243 I244 | V165-V202 HydrophobicContact CG2-CG2 3.98Å; I199-V202 HydrophobicContact CB-CG2 4.18Å; I199-V202 HydrophobicContact CG2-CG2 3.7Å; D200-V202 VanDerWaalsContact C-N 3.26Å; D200-V202 PolarHBondContact O-N 3.28Å; V202-L231 HydrophobicContact CG2-CD2 4.26Å; V202-I232 PolarHBondContact N-O 3.18Å; V202-I232 VanDerWaalsContact N-O 3.16Å; V202-S233 WeakPolarHBondContact O-CB 3.38Å; V202-S233 PolarHBondContact O-OG 2.68Å; V202-L240 HydrophobicContact CB-CD1 4.32Å; V202-L240 HydrophobicContact CG1-CD1 3.8Å; V202-F243 HydrophobicContact CG1-CD1 4.07Å; V202-F243 HydrophobicContact CG1-CE1 4.04Å; V202-I244 HydrophobicContact CG1-CD1 3.88Å; V202-I244 HydrophobicContact CG1-CG1 4.08Å |
| 203 | G | 71.2 | Confident | 78.5 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -0.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | E201 Q205 | E201-G203 PolarHBondContact O-N 3.41Å; G203-Q205 VanDerWaalsContact C-N 3.28Å; G203-Q205 PolarHBondContact O-N 3.49Å |
| 204 | V | 62.9 | Low | 78.1 | Confident | 84 Ų | 84 | 41.8 Ų | 41.8 | 51% | 0.509 | 25% | 0.25 | S | S | . | . | trans | -84.3 | 0.4 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | E201 | E201-V204 HydrophobicContact CB-CG2 4.3Å; E201-V204 PolarHBondContact O-N 2.94Å | ||
| 205 | Q | 55.7 | Low | 77.7 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | trans | -112.1 | 130.9 | -159.8 | -69.5 | 157.2 | 13.5 | 0 | 0 | 114.7 | M166 G203 G207 | M166-Q205 HydrophobicContact CE-CB 4.05Å; M166-Q205 HydrophobicContact CE-CG 3.61Å; M166-Q205 HydrophobicContact CG-CG 3.99Å; M166-Q205 HydrophobicContact SD-CG 4.14Å; G203-Q205 VanDerWaalsContact C-N 3.28Å; G203-Q205 PolarHBondContact O-N 3.49Å; Q205-G207 PolarHBondContact O-N 2.95Å | ||
| 206 | F | 53.4 | Low | 77.1 | Confident | 222 Ų | 222 | 41.6 Ų | 41.6 | 97% | 0.974 | 25% | 0.247 | S | C | * | . | trans | -71.2 | 64.2 | 158.6 | -77.6 | -90.1 | 0 | 0 | 0 | 109.6 | ||||
| 207 | G | 56.1 | Low | 76.7 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | trans | -83.9 | 135.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q205 E211 | Q205-G207 PolarHBondContact O-N 2.95Å; G207-E211 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 208 | S | 65.2 | Low | 76.4 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | trans | -63.1 | 159.1 | 169.9 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | A210 E211 M212 | S208-A210 PolarHBondContact O-N 3.24Å; S208-E211 PolarHBondContact O-N 3.2Å; S208-M212 PolarHBondContact O-N 2.99Å | ||
| 209 | A | 71.6 | Confident | 75.9 | Confident | 92 Ų | 92 | 46.6 Ų | 46.6 | 76% | 0.76 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -51.6 | -27.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A213 | A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 2.74Å; A209-A213 VanDerWaalsContact O-N 3.08Å |
| 210 | A | 71.6 | Confident | 75.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.6 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S208 M212 A213 I214 | S208-A210 PolarHBondContact O-N 3.24Å; A210-M212 VanDerWaalsContact C-N 3.34Å; A210-A213 PolarHBondContact O-N 3.41Å; A210-I214 WeakPolarHBondContact O-CG1 3.47Å; A210-I214 PolarHBondContact O-N 2.95Å; A210-I214 VanDerWaalsContact O-N 3.14Å |
| 211 | E | 73.4 | Confident | 75.6 | Confident | 26 Ų | 26 | 48.9 Ų | 48.9 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 177.2 | -72.1 | 176.8 | -171.5 | 0 | 0 | 111.4 | M166 T169 K173 G207 S208 A213 I214 L215 | M166-E211 WeakPolarHBondContact CE-OE2 3.45Å; T169-E211 HydrophobicContact CG2-CB 3.81Å; T169-E211 HydrophobicContact CG2-CG 3.89Å; K173-E211 IonicContact NZ-OE1 3.56Å; K173-E211 PolarHBondContact NZ-OE1 3.4Å; G207-E211 WeakPolarHBondContact CA-OE2 3.48Å; S208-E211 PolarHBondContact O-N 3.2Å; E211-A213 VanDerWaalsContact C-N 3.35Å; E211-I214 PolarHBondContact O-N 3.26Å; E211-L215 PolarHBondContact O-N 3.47Å; E211-L215 VanDerWaalsContact O-N 3.16Å |
| 212 | M | 76.7 | Confident | 75.9 | Confident | 38 Ų | 38 | 45 Ų | 45 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 173.8 | -65 | -61.1 | -96.7 | 0 | 0 | 111.7 | S208 A210 I214 L215 Q216 F243 | S208-M212 PolarHBondContact O-N 2.99Å; A210-M212 VanDerWaalsContact C-N 3.34Å; M212-I214 PolarHBondContact O-N 2.72Å; M212-L215 PolarHBondContact O-N 2.84Å; M212-Q216 WeakPolarHBondContact O-CB 3.21Å; M212-Q216 VanDerWaalsContact O-CG 3.22Å; M212-Q216 WeakPolarHBondContact O-CG 3.34Å; M212-Q216 PolarHBondContact O-N 2.84Å; M212-F243 HydrophobicContact CE-CD1 3.78Å; M212-F243 HydrophobicContact CE-CD2 3.53Å; M212-F243 HydrophobicContact CE-CE1 3.59Å; M212-F243 HydrophobicContact CE-CE2 3.34Å; M212-F243 HydrophobicContact CE-CG 3.75Å; M212-F243 HydrophobicContact CE-CZ 3.37Å; M212-F243 WeakPolarHBondContact CE-O 3.22Å; M212-F243 HydrophobicContact SD-CE1 3.78Å; M212-F243 HydrophobicContact SD-CE2 3.78Å; M212-F243 HydrophobicContact SD-CZ 3.33Å; M212-F243 WeakPolarHBondContact SD-CZ 3.45Å |
| 213 | A | 80.7 | Confident | 76.1 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A209 A210 E211 Q216 E217 | A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 2.74Å; A209-A213 VanDerWaalsContact O-N 3.08Å; A210-A213 PolarHBondContact O-N 3.41Å; E211-A213 VanDerWaalsContact C-N 3.35Å; A213-Q216 PolarHBondContact O-N 3.48Å; A213-E217 WeakPolarHBondContact O-CB 3.25Å; A213-E217 PolarHBondContact O-N 2.88Å |
| 214 | I | 84 | Confident | 76.8 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 177.8 | -65.9 | 162.8 | 0 | 0 | 0 | 111.2 | L168 V172 A210 E211 M212 Q216 E217 I218 | L168-I214 HydrophobicContact CD2-CG2 3.63Å; V172-I214 HydrophobicContact CB-CD1 4.12Å; V172-I214 HydrophobicContact CB-CG2 4.33Å; V172-I214 HydrophobicContact CG1-CD1 3.77Å; V172-I214 HydrophobicContact CG1-CG1 4.21Å; V172-I214 HydrophobicContact CG1-CG2 4.47Å; V172-I214 HydrophobicContact CG2-CG2 3.84Å; A210-I214 WeakPolarHBondContact O-CG1 3.47Å; A210-I214 PolarHBondContact O-N 2.95Å; A210-I214 VanDerWaalsContact O-N 3.14Å; E211-I214 PolarHBondContact O-N 3.26Å; M212-I214 PolarHBondContact O-N 2.72Å; I214-Q216 VanDerWaalsContact C-N 3.34Å; I214-Q216 PolarHBondContact O-N 3.26Å; I214-E217 PolarHBondContact O-N 2.92Å; I214-I218 HydrophobicContact CG2-CD1 4.23Å; I214-I218 PolarHBondContact O-N 3.47Å; I214-I218 VanDerWaalsContact O-N 3.14Å |
| 215 | L | 84.8 | Confident | 78 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 178 | -178.9 | 64.1 | 0 | 0 | 0 | 111.3 | V165 I199 E211 M212 E217 I219 F243 | V165-L215 HydrophobicContact CG1-CD1 4.39Å; V165-L215 HydrophobicContact CG1-CD2 4.05Å; V165-L215 HydrophobicContact CG2-CD1 4.05Å; V165-L215 HydrophobicContact CG2-CD2 4.03Å; I199-L215 HydrophobicContact CD1-CD1 3.99Å; E211-L215 PolarHBondContact O-N 3.47Å; E211-L215 VanDerWaalsContact O-N 3.16Å; M212-L215 PolarHBondContact O-N 2.84Å; L215-E217 VanDerWaalsContact C-N 3.34Å; L215-I219 HydrophobicContact CD1-CD1 3.9Å; L215-I219 HydrophobicContact CD1-CG1 4.32Å; L215-I219 HydrophobicContact CG-CD1 3.85Å; L215-I219 WeakPolarHBondContact O-CB 3.36Å; L215-I219 VanDerWaalsContact O-CG1 3.3Å; L215-I219 WeakPolarHBondContact O-CG1 3.19Å; L215-I219 PolarHBondContact O-N 3.4Å; L215-I219 VanDerWaalsContact O-N 3.08Å; L215-F243 HydrophobicContact CD2-CE1 4.31Å |
| 216 | Q | 81.9 | Confident | 79.6 | Confident | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.1 | -73.5 | -179.8 | -0.9 | 0 | 0 | 112.2 | M212 A213 I214 N220 I248 | M212-Q216 WeakPolarHBondContact O-CB 3.21Å; M212-Q216 VanDerWaalsContact O-CG 3.22Å; M212-Q216 WeakPolarHBondContact O-CG 3.34Å; M212-Q216 PolarHBondContact O-N 2.84Å; A213-Q216 PolarHBondContact O-N 3.48Å; I214-Q216 VanDerWaalsContact C-N 3.34Å; I214-Q216 PolarHBondContact O-N 3.26Å; Q216-N220 VanDerWaalsContact O-CB 3.25Å; Q216-N220 WeakPolarHBondContact O-CB 3.31Å; Q216-N220 VanDerWaalsContact O-CG 3.23Å; Q216-N220 PolarHBondContact O-N 3.4Å; Q216-N220 PolarHBondContact O-ND2 3.23Å; Q216-N220 VanDerWaalsContact O-ND2 3.15Å; Q216-I248 HydrophobicContact CB-CD1 4.13Å; Q216-I248 HydrophobicContact CG-CD1 3.71Å |
| 217 | E | 86.1 | Confident | 81.5 | Confident | 99 Ų | 99 | 50.9 Ų | 50.9 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -49 | 177.7 | -174.3 | 170.3 | -170.1 | 0 | 0 | 111.6 | I188 A213 I214 L215 N220 A221 | I188-E217 HydrophobicContact CG2-CG 4.49Å; A213-E217 WeakPolarHBondContact O-CB 3.25Å; A213-E217 PolarHBondContact O-N 2.88Å; I214-E217 PolarHBondContact O-N 2.92Å; L215-E217 VanDerWaalsContact C-N 3.34Å; E217-N220 PolarHBondContact O-N 2.98Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 3.01Å |
| 218 | I | 88.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.8 | -68.9 | 167.7 | 0 | 0 | 0 | 111.4 | L168 I188 Y191 L197 I214 N220 A221 R222 | L168-I218 HydrophobicContact CD1-CD1 3.64Å; L168-I218 HydrophobicContact CD2-CD1 3.33Å; L168-I218 HydrophobicContact CG-CD1 3.71Å; I188-I218 HydrophobicContact CG2-CG1 3.95Å; Y191-I218 HydrophobicContact CD2-CD1 4.44Å; L197-I218 HydrophobicContact CD2-CG2 3.82Å; I214-I218 HydrophobicContact CG2-CD1 4.23Å; I214-I218 PolarHBondContact O-N 3.47Å; I214-I218 VanDerWaalsContact O-N 3.14Å; I218-N220 PolarHBondContact O-N 3.47Å; I218-A221 PolarHBondContact O-N 3.09Å; I218-R222 VanDerWaalsContact O-CG 3.31Å; I218-R222 WeakPolarHBondContact O-CG 3.25Å; I218-R222 PolarHBondContact O-N 2.95Å |
| 219 | I | 85.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 179.7 | -68.8 | 173.2 | 0 | 0 | 0 | 111 | L215 Y223 I244 I248 I252 | L215-I219 HydrophobicContact CD1-CD1 3.9Å; L215-I219 HydrophobicContact CD1-CG1 4.32Å; L215-I219 HydrophobicContact CG-CD1 3.85Å; L215-I219 WeakPolarHBondContact O-CB 3.36Å; L215-I219 VanDerWaalsContact O-CG1 3.3Å; L215-I219 WeakPolarHBondContact O-CG1 3.19Å; L215-I219 PolarHBondContact O-N 3.4Å; L215-I219 VanDerWaalsContact O-N 3.08Å; I219-Y223 WeakPolarHBondContact O-CB 3.35Å; I219-Y223 PolarHBondContact O-N 3.02Å; I219-I244 HydrophobicContact CD1-CG2 4Å; I219-I248 HydrophobicContact CG2-CG2 3.48Å; I219-I248 VanDerWaalsContact CG2-CG2 3.48Å; I219-I252 HydrophobicContact CG2-CD1 3.81Å; I219-I252 HydrophobicContact CG2-CG1 4.35Å |
| 220 | N | 85.2 | Confident | 85.5 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 177.4 | -77.1 | -31.6 | 0 | 0 | 0 | 111.6 | Q216 E217 I218 R222 Y223 E224 R251 | Q216-N220 VanDerWaalsContact O-CB 3.25Å; Q216-N220 WeakPolarHBondContact O-CB 3.31Å; Q216-N220 VanDerWaalsContact O-CG 3.23Å; Q216-N220 PolarHBondContact O-N 3.4Å; Q216-N220 PolarHBondContact O-ND2 3.23Å; Q216-N220 VanDerWaalsContact O-ND2 3.15Å; E217-N220 PolarHBondContact O-N 2.98Å; I218-N220 PolarHBondContact O-N 3.47Å; N220-R222 VanDerWaalsContact C-N 3.33Å; N220-R222 PolarHBondContact O-N 2.91Å; N220-Y223 PolarHBondContact O-N 2.85Å; N220-E224 WeakPolarHBondContact O-CB 3.41Å; N220-E224 WeakPolarHBondContact O-CG 3.49Å; N220-E224 PolarHBondContact O-N 3.26Å; N220-R251 PolarHBondContact OD1-NH1 3.24Å; N220-R251 VanDerWaalsContact OD1-NH1 3.11Å |
| 221 | A | 88.6 | Confident | 86.5 | Confident | 28 Ų | 28 | 40.7 Ų | 40.7 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A192 E217 I218 Y223 E224 S225 | A192-A221 HydrophobicContact CB-CB 4.05Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 3.01Å; I218-A221 PolarHBondContact O-N 3.09Å; A221-Y223 PolarHBondContact O-N 2.64Å; A221-E224 PolarHBondContact O-N 2.93Å; A221-S225 WeakPolarHBondContact O-CB 3.26Å; A221-S225 PolarHBondContact O-N 3.02Å; A221-S225 PolarHBondContact O-OG 3.47Å |
| 222 | R | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 177.3 | -68.8 | -175.9 | 70 | 72 | 8.7 | 112.8 | Y191 A192 M194 L197 I218 N220 S225 I226 L227 P228 T229 | Y191-R222 PolarHBondContact O-NH1 3.5Å; A192-R222 PolarHBondContact O-NH1 2.89Å; A192-R222 VanDerWaalsContact O-NH1 3.14Å; M194-R222 VanDerWaalsContact O-CZ 3.26Å; M194-R222 PolarHBondContact O-NH1 2.78Å; M194-R222 PolarHBondContact O-NH2 2.85Å; L197-R222 VanDerWaalsContact CB-CZ 3.43Å; I218-R222 VanDerWaalsContact O-CG 3.31Å; I218-R222 WeakPolarHBondContact O-CG 3.25Å; I218-R222 PolarHBondContact O-N 2.95Å; N220-R222 VanDerWaalsContact C-N 3.33Å; N220-R222 PolarHBondContact O-N 2.91Å; R222-S225 CarbonylContact O-C 3.24Å; R222-S225 PolarHBondContact O-N 3.37Å; R222-I226 PolarHBondContact O-N 3.34Å; R222-I226 VanDerWaalsContact O-N 3.11Å; R222-L227 HydrophobicContact CB-CB 4.35Å; R222-L227 PolarHBondContact O-N 2.93Å; R222-P228 PolarHBondContact NH2-O 3.45Å; R222-T229 WeakPolarHBondContact CD-OG1 3.49Å; R222-T229 PolarHBondContact NE-OG1 3.08Å |
| 223 | Y | 84.4 | Confident | 87.9 | Confident | 118 Ų | 118 | 37.7 Ų | 37.7 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.6 | -44 | 175 | 177.3 | -93.5 | 0 | 0 | 0 | 111.8 | I219 N220 A221 S225 I226 R251 | I219-Y223 WeakPolarHBondContact O-CB 3.35Å; I219-Y223 PolarHBondContact O-N 3.02Å; N220-Y223 PolarHBondContact O-N 2.85Å; A221-Y223 PolarHBondContact O-N 2.64Å; Y223-S225 VanDerWaalsContact C-N 3.27Å; Y223-S225 PolarHBondContact O-N 2.77Å; Y223-I226 PolarHBondContact O-N 2.92Å; Y223-I226 VanDerWaalsContact O-N 3.13Å; Y223-R251 HydrophobicContact CD2-CB 3.73Å; Y223-R251 HydrophobicContact CD2-CG 4.2Å; Y223-R251 HydrophobicContact CE1-CG 4.13Å; Y223-R251 HydrophobicContact CE2-CB 3.57Å; Y223-R251 HydrophobicContact CE2-CG 3.77Å; Y223-R251 HydrophobicContact CG-CB 4.35Å |
| 224 | E | 86.3 | Confident | 88.1 | Confident | 147 Ų | 147 | 38.3 Ų | 38.3 | 69% | 0.687 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -64.5 | -31.6 | 177.2 | -72.7 | 174.8 | -172.7 | 0 | 0 | 112.5 | N220 A221 | N220-E224 WeakPolarHBondContact O-CB 3.41Å; N220-E224 WeakPolarHBondContact O-CG 3.49Å; N220-E224 PolarHBondContact O-N 3.26Å; A221-E224 PolarHBondContact O-N 2.93Å |
| 225 | S | 88.2 | Confident | 88 | Confident | 77 Ų | 77 | 39.6 Ų | 39.6 | 54% | 0.538 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.9 | 174.5 | -60 | 0 | 0 | 0 | 0 | 114.6 | A221 R222 Y223 L227 | A221-S225 WeakPolarHBondContact O-CB 3.26Å; A221-S225 PolarHBondContact O-N 3.02Å; A221-S225 PolarHBondContact O-OG 3.47Å; R222-S225 CarbonylContact O-C 3.24Å; R222-S225 PolarHBondContact O-N 3.37Å; Y223-S225 VanDerWaalsContact C-N 3.27Å; Y223-S225 PolarHBondContact O-N 2.77Å; S225-L227 VanDerWaalsContact C-N 3.29Å; S225-L227 PolarHBondContact O-N 2.93Å |
| 226 | I | 89.3 | Confident | 87.6 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 52% | 0.523 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 42.4 | -179.1 | -45.6 | 174.8 | 0 | 0 | 0 | 111 | G128 R222 Y223 | G128-I226 WeakPolarHBondContact CA-O 3.38Å; R222-I226 PolarHBondContact O-N 3.34Å; R222-I226 VanDerWaalsContact O-N 3.11Å; Y223-I226 PolarHBondContact O-N 2.92Å; Y223-I226 VanDerWaalsContact O-N 3.13Å |
| 227 | L | 91.9 | Very high | 87.3 | Confident | 30 Ų | 30 | 39 Ų | 39 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | trans | -106.2 | 128.7 | -178.9 | -72.3 | 174 | 0 | 0 | 0 | 112.3 | L125 A192 R222 S225 | L125-L227 HydrophobicContact CD1-CD2 4.14Å; A192-L227 WeakPolarHBondContact O-CD1 3.21Å; R222-L227 HydrophobicContact CB-CB 4.35Å; R222-L227 PolarHBondContact O-N 2.93Å; S225-L227 VanDerWaalsContact C-N 3.29Å; S225-L227 PolarHBondContact O-N 2.93Å | ||
| 228 | P | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -59.7 | 136.8 | 180 | -26 | 34.8 | 0 | 0 | 0 | 114.2 | Y117 W121 M124 L125 D195 L196 R222 | Y117-P228 WeakPolarHBondContact OH-CB 3.38Å; W121-P228 HydrophobicContact CH2-CB 4.12Å; W121-P228 HydrophobicContact CH2-CG 3.88Å; W121-P228 HydrophobicContact CZ3-CB 4.17Å; W121-P228 HydrophobicContact CZ3-CG 4.07Å; M124-P228 WeakPolarHBondContact O-CG 3.49Å; L125-P228 HydrophobicContact CD1-CG 4.26Å; D195-P228 WeakPolarHBondContact O-CD 3.25Å; L196-P228 HydrophobicContact CD1-CB 3.89Å; R222-P228 PolarHBondContact NH2-O 3.45Å | ||
| 229 | T | 92.4 | Very high | 86.4 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.1 | 175.2 | -55 | 0 | 0 | 0 | 0 | 110.8 | S130 L131 L197 I199 R222 L231 | S130-T229 CarbonylContact C-O 3.59Å; S130-T229 VanDerWaalsContact CA-O 3.28Å; S130-T229 WeakPolarHBondContact CA-O 3.49Å; S130-T229 WeakPolarHBondContact CB-O 3.47Å; S130-T229 PolarHBondContact OG-N 2.99Å; S130-T229 PolarHBondContact OG-O 3.12Å; L131-T229 PolarHBondContact N-O 3Å; L197-T229 CarbonylContact O-C 3.53Å; L197-T229 WeakPolarHBondContact O-CA 3.4Å; I199-T229 HydrophobicContact CD1-CG2 4.34Å; R222-T229 WeakPolarHBondContact CD-OG1 3.49Å; R222-T229 PolarHBondContact NE-OG1 3.08Å; T229-L231 HydrophobicContact CG2-CD2 3.92Å |
| 230 | I | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.8 | 175 | -54 | -175.8 | 0 | 0 | 0 | 109.7 | Y117 L131 M133 M148 L196 L197 I198 I199 I232 | Y117-I230 HydrophobicContact CE1-CD1 4.21Å; L131-I230 HydrophobicContact CB-CG1 4.11Å; L131-I230 HydrophobicContact CB-CG2 4.37Å; L131-I230 HydrophobicContact CD2-CD1 4.49Å; L131-I230 CarbonylContact O-C 3.57Å; L131-I230 WeakPolarHBondContact O-CA 3.35Å; M133-I230 HydrophobicContact CG-CG2 4.44Å; M133-I230 HydrophobicContact SD-CG2 4.15Å; M148-I230 HydrophobicContact CE-CD1 3.71Å; M148-I230 HydrophobicContact SD-CD1 4.3Å; L196-I230 HydrophobicContact CD1-CD1 4.07Å; L196-I230 HydrophobicContact CD1-CG1 3.91Å; L196-I230 HydrophobicContact CD2-CD1 4.17Å; L197-I230 PolarHBondContact O-N 3.09Å; I198-I230 CarbonylContact C-O 3.54Å; I198-I230 WeakPolarHBondContact CA-O 3.47Å; I198-I230 HydrophobicContact CB-CB 4.39Å; I198-I230 HydrophobicContact CD1-CD1 4.14Å; I198-I230 HydrophobicContact CG1-CB 4.09Å; I198-I230 HydrophobicContact CG1-CD1 4.26Å; I198-I230 HydrophobicContact CG1-CG1 4.39Å; I198-I230 HydrophobicContact CG2-CB 4.16Å; I198-I230 HydrophobicContact CG2-CG2 4.27Å; I199-I230 PolarHBondContact N-O 3.37Å; I230-I232 HydrophobicContact CG2-CG1 4.44Å |
| 231 | L | 91.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.7 | 176.1 | -58.9 | -172.4 | 0 | 0 | 0 | 110.7 | L131 V132 M133 I199 V202 T229 I244 I252 | L131-L231 PolarHBondContact O-N 2.8Å; V132-L231 WeakPolarHBondContact CA-O 3.33Å; V132-L231 HydrophobicContact CG1-CB 4.49Å; V132-L231 HydrophobicContact CG2-CB 4.48Å; M133-L231 PolarHBondContact N-O 2.89Å; I199-L231 HydrophobicContact CB-CD2 3.91Å; I199-L231 HydrophobicContact CD1-CD2 3.97Å; I199-L231 HydrophobicContact CG1-CD2 4.18Å; V202-L231 HydrophobicContact CG2-CD2 4.26Å; T229-L231 HydrophobicContact CG2-CD2 3.92Å; L231-I244 HydrophobicContact CD1-CD1 3.61Å; L231-I252 HydrophobicContact CD1-CD1 3.46Å; L231-I252 VanDerWaalsContact CD1-CD1 3.46Å; L231-I252 HydrophobicContact CD1-CG2 4.44Å; L231-I252 HydrophobicContact CG-CD1 4.26Å |
| 232 | I | 91.9 | Very high | 85 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.4 | 174.4 | -50.2 | 175 | 0 | 0 | 0 | 108.6 | M133 K141 A145 I198 I199 D200 E201 V202 I230 | M133-I232 HydrophobicContact CB-CG1 4.37Å; M133-I232 WeakPolarHBondContact O-CA 3.45Å; M133-I232 HydrophobicContact SD-CG1 4.3Å; K141-I232 HydrophobicContact CB-CG2 3.86Å; K141-I232 HydrophobicContact CD-CG2 3.95Å; A145-I232 HydrophobicContact CB-CD1 3.56Å; I198-I232 HydrophobicContact CG2-CD1 3.86Å; I198-I232 HydrophobicContact CG2-CG1 4.32Å; I199-I232 PolarHBondContact O-N 3.42Å; D200-I232 WeakPolarHBondContact OD1-CG2 3.24Å; E201-I232 PolarHBondContact N-O 3.39Å; V202-I232 PolarHBondContact N-O 3.18Å; V202-I232 VanDerWaalsContact N-O 3.16Å; I230-I232 HydrophobicContact CG2-CG1 4.44Å |
| 233 | S | 87.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153 | 179.8 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | M133 T134 G135 K141 V202 L235 | M133-S233 PolarHBondContact O-N 3.41Å; T134-S233 CarbonylContact C-O 3.56Å; T134-S233 WeakPolarHBondContact CA-O 3.05Å; G135-S233 PolarHBondContact N-O 3.03Å; G135-S233 VanDerWaalsContact N-O 3.16Å; K141-S233 WeakPolarHBondContact CE-O 3.47Å; V202-S233 WeakPolarHBondContact O-CB 3.38Å; V202-S233 PolarHBondContact O-OG 2.68Å; S233-L235 WeakPolarHBondContact OG-CB 3.38Å; S233-L235 PolarHBondContact OG-N 2.92Å |
| 234 | N | 84.8 | Confident | 83.6 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -97 | -4 | 167.1 | -61.1 | -43.5 | 0 | 0 | 0 | 112.8 | G135 C137 K141 | G135-N234 VanDerWaalsContact O-CA 3.31Å; G135-N234 WeakPolarHBondContact O-CA 3.46Å; G135-N234 PolarHBondContact O-OD1 3.02Å; G135-N234 VanDerWaalsContact O-OD1 3.1Å; C137-N234 PolarHBondContact SG-ND2 3.46Å; C137-N234 VanDerWaalsContact SG-ND2 3.43Å; K141-N234 PolarHBondContact NZ-OD1 3.02Å |
| 235 | L | 81.7 | Confident | 82.8 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -73.2 | 153.3 | 176.9 | -65.1 | -175.3 | 0 | 0 | 0 | 111.2 | S233 E239 L240 F243 | S233-L235 WeakPolarHBondContact OG-CB 3.38Å; S233-L235 PolarHBondContact OG-N 2.92Å; L235-E239 HydrophobicContact CB-CB 3.89Å; L235-E239 HydrophobicContact CD1-CB 4.1Å; L235-E239 HydrophobicContact CD2-CB 4.26Å; L235-E239 HydrophobicContact CG-CB 4.31Å; L235-L240 HydrophobicContact CB-CB 4.36Å; L235-F243 HydrophobicContact CD1-CB 4.47Å |
| 236 | S | 77.5 | Confident | 81.9 | Confident | 41 Ų | 41 | 42 Ų | 42 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | trans | -61.9 | 160.6 | 162.6 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | E238 E239 L240 | S236-E238 VanDerWaalsContact C-N 3.34Å; S236-E238 PolarHBondContact O-N 3.43Å; S236-E239 WeakPolarHBondContact CB-OE2 3.4Å; S236-E239 PolarHBondContact N-OE2 3.39Å; S236-E239 PolarHBondContact O-N 3.26Å; S236-E239 WeakPolarHBondContact OG-CB 3.41Å; S236-E239 WeakPolarHBondContact OG-CG 3.46Å; S236-E239 PolarHBondContact OG-N 3.22Å; S236-E239 PolarHBondContact OG-OE2 3.39Å; S236-L240 WeakPolarHBondContact O-CB 3.36Å; S236-L240 PolarHBondContact O-N 2.81Å | ||
| 237 | P | 75.7 | Confident | 81 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.1 | -52.3 | 175.2 | -24.9 | 36.3 | 0 | 0 | 0 | 110.8 | E239 L240 W241 W259 | P237-E239 PolarHBondContact O-N 3.01Å; P237-E239 VanDerWaalsContact O-N 3.12Å; P237-L240 PolarHBondContact O-N 3.34Å; P237-W241 PolarHBondContact O-N 3.36Å; P237-W259 HydrophobicContact CB-CH2 3.96Å; P237-W259 HydrophobicContact CB-CZ2 4.03Å; P237-W259 HydrophobicContact CG-CH2 3.2Å; P237-W259 HydrophobicContact CG-CZ2 3.04Å; P237-W259 HydrophobicContact CG-CZ3 4.18Å |
| 238 | E | 76.4 | Confident | 80 | Confident | 143 Ų | 143 | 45.5 Ų | 45.5 | 67% | 0.668 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -56 | -40.5 | -176.3 | -61.4 | 75.9 | -164.7 | 0 | 0 | 112 | S236 A242 | S236-E238 VanDerWaalsContact C-N 3.34Å; S236-E238 PolarHBondContact O-N 3.43Å; E238-A242 PolarHBondContact O-N 3.43Å; E238-A242 VanDerWaalsContact O-N 3.13Å |
| 239 | E | 79 | Confident | 79 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.2 | -42.1 | 176.2 | -70.8 | 166.6 | 150.2 | 0 | 0 | 112.8 | L235 S236 P237 W241 A242 F243 | L235-E239 HydrophobicContact CB-CB 3.89Å; L235-E239 HydrophobicContact CD1-CB 4.1Å; L235-E239 HydrophobicContact CD2-CB 4.26Å; L235-E239 HydrophobicContact CG-CB 4.31Å; S236-E239 WeakPolarHBondContact CB-OE2 3.4Å; S236-E239 PolarHBondContact N-OE2 3.39Å; S236-E239 PolarHBondContact O-N 3.26Å; S236-E239 WeakPolarHBondContact OG-CB 3.41Å; S236-E239 WeakPolarHBondContact OG-CG 3.46Å; S236-E239 PolarHBondContact OG-N 3.22Å; S236-E239 PolarHBondContact OG-OE2 3.39Å; P237-E239 PolarHBondContact O-N 3.01Å; P237-E239 VanDerWaalsContact O-N 3.12Å; E239-W241 VanDerWaalsContact C-N 3.29Å; E239-W241 PolarHBondContact O-N 3.43Å; E239-A242 PolarHBondContact O-N 3.15Å; E239-F243 WeakPolarHBondContact O-CB 3.27Å; E239-F243 PolarHBondContact O-N 3.47Å |
| 240 | L | 78.6 | Confident | 78 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.6 | -171.6 | 64.8 | 0 | 0 | 0 | 111.3 | V132 T134 V202 L235 S236 P237 F243 I244 | V132-L240 HydrophobicContact CG1-CD2 3.75Å; T134-L240 HydrophobicContact CG2-CD2 4.02Å; V202-L240 HydrophobicContact CB-CD1 4.32Å; V202-L240 HydrophobicContact CG1-CD1 3.8Å; L235-L240 HydrophobicContact CB-CB 4.36Å; S236-L240 WeakPolarHBondContact O-CB 3.36Å; S236-L240 PolarHBondContact O-N 2.81Å; P237-L240 PolarHBondContact O-N 3.34Å; L240-F243 WeakPolarHBondContact O-CB 2.86Å; L240-F243 PolarHBondContact O-N 2.85Å; L240-I244 HydrophobicContact CD1-CD1 3.6Å; L240-I244 HydrophobicContact CD1-CG1 4.05Å; L240-I244 HydrophobicContact CD2-CD1 4.35Å; L240-I244 HydrophobicContact CG-CD1 3.73Å; L240-I244 HydrophobicContact CG-CG1 4.34Å; L240-I244 WeakPolarHBondContact O-CG1 3.47Å; L240-I244 PolarHBondContact O-N 2.88Å |
| 241 | W | 77 | Confident | 76.9 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 30% | 0.295 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.2 | -36.2 | -179.9 | -69 | 51.6 | 0 | 0 | 0 | 111.7 | P237 E239 F243 S245 A249 D250 T253 | P237-W241 PolarHBondContact O-N 3.36Å; E239-W241 VanDerWaalsContact C-N 3.29Å; E239-W241 PolarHBondContact O-N 3.43Å; W241-F243 PolarHBondContact O-N 2.89Å; W241-S245 CarbonylContact O-C 3.38Å; W241-S245 VanDerWaalsContact O-C 3.24Å; W241-S245 WeakPolarHBondContact O-CA 3.44Å; W241-S245 PolarHBondContact O-N 2.9Å; W241-A249 HydrophobicContact CB-CB 4.46Å; W241-A249 HydrophobicContact CD2-CB 3.35Å; W241-A249 HydrophobicContact CE3-CB 3.21Å; W241-A249 HydrophobicContact CG-CB 3.88Å; W241-A249 HydrophobicContact CH2-CB 3.78Å; W241-A249 HydrophobicContact CZ2-CB 3.95Å; W241-A249 HydrophobicContact CZ3-CB 3.4Å; W241-A249 VanDerWaalsContact CZ3-CB 3.4Å; W241-D250 HydrophobicContact CZ3-CB 4.33Å; W241-T253 HydrophobicContact CZ2-CG2 4.21Å |
| 242 | A | 75.4 | Confident | 76 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 69% | 0.686 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.6 | -33.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E238 E239 | E238-A242 PolarHBondContact O-N 3.43Å; E238-A242 VanDerWaalsContact O-N 3.13Å; E239-A242 PolarHBondContact O-N 3.15Å |
| 243 | F | 73.5 | Confident | 75 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76 | -52.7 | -178.9 | -171.7 | -99.2 | 0 | 0 | 0 | 113.4 | V202 M212 L215 L235 E239 L240 W241 S245 | V202-F243 HydrophobicContact CG1-CD1 4.07Å; V202-F243 HydrophobicContact CG1-CE1 4.04Å; M212-F243 HydrophobicContact CE-CD1 3.78Å; M212-F243 HydrophobicContact CE-CD2 3.53Å; M212-F243 HydrophobicContact CE-CE1 3.59Å; M212-F243 HydrophobicContact CE-CE2 3.34Å; M212-F243 HydrophobicContact CE-CG 3.75Å; M212-F243 HydrophobicContact CE-CZ 3.37Å; M212-F243 WeakPolarHBondContact CE-O 3.22Å; M212-F243 HydrophobicContact SD-CE1 3.78Å; M212-F243 HydrophobicContact SD-CE2 3.78Å; M212-F243 HydrophobicContact SD-CZ 3.33Å; M212-F243 WeakPolarHBondContact SD-CZ 3.45Å; L215-F243 HydrophobicContact CD2-CE1 4.31Å; L235-F243 HydrophobicContact CD1-CB 4.47Å; E239-F243 WeakPolarHBondContact O-CB 3.27Å; E239-F243 PolarHBondContact O-N 3.47Å; L240-F243 WeakPolarHBondContact O-CB 2.86Å; L240-F243 PolarHBondContact O-N 2.85Å; W241-F243 PolarHBondContact O-N 2.89Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.96Å |
| 244 | I | 70.8 | Confident | 74.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.7 | 1.3 | -173.7 | -36.9 | 168 | 0 | 0 | 0 | 112.1 | V202 I219 L231 L240 I248 | V202-I244 HydrophobicContact CG1-CD1 3.88Å; V202-I244 HydrophobicContact CG1-CG1 4.08Å; I219-I244 HydrophobicContact CD1-CG2 4Å; L231-I244 HydrophobicContact CD1-CD1 3.61Å; L240-I244 HydrophobicContact CD1-CD1 3.6Å; L240-I244 HydrophobicContact CD1-CG1 4.05Å; L240-I244 HydrophobicContact CD2-CD1 4.35Å; L240-I244 HydrophobicContact CG-CD1 3.73Å; L240-I244 HydrophobicContact CG-CG1 4.34Å; L240-I244 WeakPolarHBondContact O-CG1 3.47Å; L240-I244 PolarHBondContact O-N 2.88Å; I244-I248 HydrophobicContact CB-CG2 4.46Å; I244-I248 HydrophobicContact CG2-CB 3.98Å; I244-I248 HydrophobicContact CG2-CD1 4.28Å; I244-I248 HydrophobicContact CG2-CG2 3.49Å; I244-I248 VanDerWaalsContact CG2-CG2 3.49Å; I244-I248 WeakPolarHBondContact O-CB 3.41Å; I244-I248 WeakPolarHBondContact O-CD1 3.36Å |
| 245 | S | 69.7 | Low | 73 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | trans | 72.7 | 142.6 | -166.6 | 87.2 | 0 | 0 | 0 | 0 | 113.8 | W241 F243 R247 I248 A249 | W241-S245 CarbonylContact O-C 3.38Å; W241-S245 VanDerWaalsContact O-C 3.24Å; W241-S245 WeakPolarHBondContact O-CA 3.44Å; W241-S245 PolarHBondContact O-N 2.9Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.96Å; S245-R247 PolarHBondContact O-N 3.39Å; S245-R247 VanDerWaalsContact O-N 3.15Å; S245-I248 PolarHBondContact O-N 2.93Å; S245-A249 PolarHBondContact O-N 2.93Å | ||
| 246 | P | 69.8 | Low | 72 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.4 | -30.8 | 179.2 | -26.1 | 34 | 0 | 0 | 0 | 114.1 | D250 | P246-D250 WeakPolarHBondContact O-CB 3.33Å; P246-D250 PolarHBondContact O-N 3.37Å |
| 247 | R | 70.6 | Confident | 71.7 | Confident | 199 Ų | 199 | 68.7 Ų | 68.7 | 75% | 0.751 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.1 | -39.6 | -179.5 | -72.7 | -175.5 | 176.9 | 179.4 | -0.8 | 112.6 | S245 R251 | S245-R247 PolarHBondContact O-N 3.39Å; S245-R247 VanDerWaalsContact O-N 3.15Å; R247-R251 VanDerWaalsContact O-CG 3.28Å; R247-R251 WeakPolarHBondContact O-CG 3.28Å; R247-R251 PolarHBondContact O-N 3.32Å |
| 248 | I | 70.8 | Confident | 72 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76 | -40.5 | 179.7 | -68.1 | 175.9 | 0 | 0 | 0 | 110 | Q216 I219 I244 S245 D250 R251 I252 | Q216-I248 HydrophobicContact CB-CD1 4.13Å; Q216-I248 HydrophobicContact CG-CD1 3.71Å; I219-I248 HydrophobicContact CG2-CG2 3.48Å; I219-I248 VanDerWaalsContact CG2-CG2 3.48Å; I244-I248 HydrophobicContact CB-CG2 4.46Å; I244-I248 HydrophobicContact CG2-CB 3.98Å; I244-I248 HydrophobicContact CG2-CD1 4.28Å; I244-I248 HydrophobicContact CG2-CG2 3.49Å; I244-I248 VanDerWaalsContact CG2-CG2 3.49Å; I244-I248 WeakPolarHBondContact O-CB 3.41Å; I244-I248 WeakPolarHBondContact O-CD1 3.36Å; S245-I248 PolarHBondContact O-N 2.93Å; I248-D250 VanDerWaalsContact C-N 3.31Å; I248-D250 PolarHBondContact O-N 3.46Å; I248-R251 WeakPolarHBondContact O-CB 3.5Å; I248-R251 PolarHBondContact O-N 2.87Å; I248-I252 HydrophobicContact CG2-CD1 3.69Å; I248-I252 HydrophobicContact CG2-CG1 4.23Å; I248-I252 WeakPolarHBondContact O-CG1 3.4Å; I248-I252 PolarHBondContact O-N 3.49Å |
| 249 | A | 70.6 | Confident | 72.5 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W241 S245 I252 T253 | W241-A249 HydrophobicContact CB-CB 4.46Å; W241-A249 HydrophobicContact CD2-CB 3.35Å; W241-A249 HydrophobicContact CE3-CB 3.21Å; W241-A249 HydrophobicContact CG-CB 3.88Å; W241-A249 HydrophobicContact CH2-CB 3.78Å; W241-A249 HydrophobicContact CZ2-CB 3.95Å; W241-A249 HydrophobicContact CZ3-CB 3.4Å; W241-A249 VanDerWaalsContact CZ3-CB 3.4Å; S245-A249 PolarHBondContact O-N 2.93Å; A249-I252 PolarHBondContact O-N 2.91Å; A249-T253 WeakPolarHBondContact O-CB 3.46Å; A249-T253 WeakPolarHBondContact O-CG2 3.47Å; A249-T253 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-OG1 2.91Å |
| 250 | D | 71.9 | Confident | 73 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.5 | -166.2 | 52.1 | 0 | 0 | 0 | 112 | W241 P246 I248 I252 D254 | W241-D250 HydrophobicContact CZ3-CB 4.33Å; P246-D250 WeakPolarHBondContact O-CB 3.33Å; P246-D250 PolarHBondContact O-N 3.37Å; I248-D250 VanDerWaalsContact C-N 3.31Å; I248-D250 PolarHBondContact O-N 3.46Å; D250-I252 PolarHBondContact O-N 3.24Å; D250-D254 PolarHBondContact O-N 3.07Å |
| 251 | R | 69.3 | Low | 73.5 | Confident | 105 Ų | 105 | 65.2 Ų | 65.2 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 177 | -75.2 | 174.1 | -179.6 | -174.7 | -6.7 | 113.8 | N220 Y223 R247 I248 | N220-R251 PolarHBondContact OD1-NH1 3.24Å; N220-R251 VanDerWaalsContact OD1-NH1 3.11Å; Y223-R251 HydrophobicContact CD2-CB 3.73Å; Y223-R251 HydrophobicContact CD2-CG 4.2Å; Y223-R251 HydrophobicContact CE1-CG 4.13Å; Y223-R251 HydrophobicContact CE2-CB 3.57Å; Y223-R251 HydrophobicContact CE2-CG 3.77Å; Y223-R251 HydrophobicContact CG-CB 4.35Å; R247-R251 VanDerWaalsContact O-CG 3.28Å; R247-R251 WeakPolarHBondContact O-CG 3.28Å; R247-R251 PolarHBondContact O-N 3.32Å; I248-R251 WeakPolarHBondContact O-CB 3.5Å; I248-R251 PolarHBondContact O-N 2.87Å |
| 252 | I | 73.6 | Confident | 74.1 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -80.2 | -37.8 | -177.7 | -67.8 | 177.7 | 0 | 0 | 0 | 111.5 | S130 V132 I219 L231 I248 A249 D250 | S130-I252 WeakPolarHBondContact CB-O 3.22Å; V132-I252 HydrophobicContact CG2-CG2 3.5Å; I219-I252 HydrophobicContact CG2-CD1 3.81Å; I219-I252 HydrophobicContact CG2-CG1 4.35Å; L231-I252 HydrophobicContact CD1-CD1 3.46Å; L231-I252 VanDerWaalsContact CD1-CD1 3.46Å; L231-I252 HydrophobicContact CD1-CG2 4.44Å; L231-I252 HydrophobicContact CG-CD1 4.26Å; I248-I252 HydrophobicContact CG2-CD1 3.69Å; I248-I252 HydrophobicContact CG2-CG1 4.23Å; I248-I252 WeakPolarHBondContact O-CG1 3.4Å; I248-I252 PolarHBondContact O-N 3.49Å; A249-I252 PolarHBondContact O-N 2.91Å; D250-I252 PolarHBondContact O-N 3.24Å |
| 253 | T | 71 | Confident | 74.4 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -90.8 | -7.5 | -169.6 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | V132 W241 A249 G255 G256 R257 N258 | V132-T253 HydrophobicContact CB-CG2 4.45Å; V132-T253 HydrophobicContact CG2-CG2 3.72Å; W241-T253 HydrophobicContact CZ2-CG2 4.21Å; A249-T253 WeakPolarHBondContact O-CB 3.46Å; A249-T253 WeakPolarHBondContact O-CG2 3.47Å; A249-T253 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-OG1 2.91Å; T253-G255 PolarHBondContact O-N 3.38Å; T253-G256 CarbonylContact O-C 3.59Å; T253-G256 WeakPolarHBondContact O-CA 3.3Å; T253-G256 PolarHBondContact O-N 3.48Å; T253-R257 PolarHBondContact O-N 3.4Å; T253-N258 PolarHBondContact O-N 3.27Å |
| 254 | D | 69 | Low | 74.7 | Confident | 108 Ų | 108 | 62 Ų | 62 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 57.8 | -176.1 | -170 | 31.5 | 0 | 0 | 0 | 111.6 | D250 G256 | D250-D254 PolarHBondContact O-N 3.07Å; D254-G256 VanDerWaalsContact C-N 3.33Å; D254-G256 PolarHBondContact O-N 2.93Å |
| 255 | G | 60.6 | Low | 74.6 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 68% | 0.68 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 26 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T253 | T253-G255 PolarHBondContact O-N 3.38Š|
| 256 | G | 62.3 | Low | 74.4 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T253 D254 N258 | T253-G256 CarbonylContact O-C 3.59Å; T253-G256 WeakPolarHBondContact O-CA 3.3Å; T253-G256 PolarHBondContact O-N 3.48Å; D254-G256 VanDerWaalsContact C-N 3.33Å; D254-G256 PolarHBondContact O-N 2.93Å; G256-N258 PolarHBondContact O-N 3.15Å |
| 257 | R | 70.2 | Confident | 74 | Confident | 205 Ų | 205 | 69.2 Ų | 69.2 | 77% | 0.774 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30.7 | -176.3 | -69.4 | -177.8 | -177.3 | 177.7 | 3.8 | 113.4 | T253 W259 | T253-R257 PolarHBondContact O-N 3.4Å; R257-W259 PolarHBondContact O-N 3.22Å |
| 258 | N | 81.7 | Confident | 73.4 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 48.8 | -174.6 | -56.7 | -29.1 | 0 | 0 | 0 | 112.2 | T129 S130 L131 V132 T253 G256 | T129-N258 VanDerWaalsContact CG2-ND2 3.3Å; T129-N258 WeakPolarHBondContact CG2-ND2 3.25Å; S130-N258 WeakPolarHBondContact O-CB 3.5Å; S130-N258 PolarHBondContact O-ND2 3.17Å; S130-N258 VanDerWaalsContact O-ND2 3.13Å; L131-N258 HydrophobicContact CD1-CB 4.25Å; V132-N258 PolarHBondContact N-O 3.47Å; T253-N258 PolarHBondContact O-N 3.27Å; G256-N258 PolarHBondContact O-N 3.15Å |
| 259 | W | 86.5 | Confident | 72.5 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.6 | -177.6 | 175.6 | 31.3 | 0 | 0 | 0 | 111.8 | V132 T134 P237 R257 | V132-W259 WeakPolarHBondContact O-CA 3.36Å; T134-W259 PolarHBondContact OG1-NE1 3.4Å; P237-W259 HydrophobicContact CB-CH2 3.96Å; P237-W259 HydrophobicContact CB-CZ2 4.03Å; P237-W259 HydrophobicContact CG-CH2 3.2Å; P237-W259 HydrophobicContact CG-CZ2 3.04Å; P237-W259 HydrophobicContact CG-CZ3 4.18Å; R257-W259 PolarHBondContact O-N 3.22Å |
| 260 | L | 90.5 | Very high | 71.7 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.9 | 178.2 | -58 | -179.4 | 0 | 0 | 0 | 110.7 | A113 C114 L131 V132 M133 T134 F262 | A113-L260 HydrophobicContact CB-CD1 4.36Å; A113-L260 HydrophobicContact CB-CD2 3.82Å; C114-L260 VanDerWaalsContact SG-CD1 3.51Å; L131-L260 HydrophobicContact CD1-CD1 4.13Å; L131-L260 HydrophobicContact CD1-CG 4.07Å; L131-L260 HydrophobicContact CD2-CD1 4Å; L131-L260 HydrophobicContact CG-CD1 4.41Å; V132-L260 PolarHBondContact O-N 2.95Å; M133-L260 WeakPolarHBondContact CA-O 3.49Å; T134-L260 PolarHBondContact N-O 3.3Å; L260-F262 HydrophobicContact CB-CD2 4.41Å; L260-F262 HydrophobicContact CB-CE2 3.69Å; L260-F262 HydrophobicContact CB-CZ 4.49Å |
| 261 | S | 88.7 | Confident | 71 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.4 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | N110 T134 N263 W264 | N110-S261 PolarHBondContact ND2-O 3.47Å; T134-S261 CarbonylContact O-C 3.51Å; S261-N263 VanDerWaalsContact OG-CG 3.22Å; S261-N263 PolarHBondContact OG-ND2 3.3Å; S261-W264 WeakPolarHBondContact O-CZ3 3.41Å |
| 262 | F | 89.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 63.2 | -176.8 | -68.3 | -104.9 | 0 | 0 | 0 | 110.8 | N110 M133 T134 G135 S136 T139 K141 L144 L260 W264 | N110-F262 HydrophobicContact CB-CE1 4.16Å; N110-F262 HydrophobicContact CB-CE2 4.47Å; N110-F262 HydrophobicContact CB-CZ 3.84Å; N110-F262 WeakPolarHBondContact ND2-CE2 3.48Å; N110-F262 WeakPolarHBondContact ND2-CZ 3.22Å; M133-F262 HydrophobicContact CB-CD2 4.47Å; M133-F262 HydrophobicContact CB-CE2 4.05Å; M133-F262 HydrophobicContact CE-CE1 4.27Å; M133-F262 HydrophobicContact CE-CE2 3.51Å; M133-F262 HydrophobicContact CE-CZ 3.3Å; M133-F262 HydrophobicContact CG-CE2 4.24Å; T134-F262 WeakPolarHBondContact O-CB 3.32Å; T134-F262 PolarHBondContact O-N 3.27Å; G135-F262 CarbonylContact C-O 3.59Å; G135-F262 WeakPolarHBondContact CA-O 3.34Å; S136-F262 PolarHBondContact N-O 3.14Å; T139-F262 WeakPolarHBondContact CG2-O 3.47Å; T139-F262 WeakPolarHBondContact OG1-CB 3.38Å; K141-F262 HydrophobicContact CD-CB 4.11Å; K141-F262 HydrophobicContact CD-CD2 4.01Å; K141-F262 HydrophobicContact CD-CG 4.07Å; K141-F262 HydrophobicContact CG-CB 3.91Å; K141-F262 HydrophobicContact CG-CD1 3.76Å; K141-F262 HydrophobicContact CG-CD2 3.69Å; K141-F262 HydrophobicContact CG-CE1 4.21Å; K141-F262 HydrophobicContact CG-CE2 4.12Å; K141-F262 HydrophobicContact CG-CG 3.51Å; K141-F262 HydrophobicContact CG-CZ 4.39Å; L144-F262 HydrophobicContact CD1-CE1 3.76Å; L144-F262 HydrophobicContact CD1-CZ 3.75Å; L260-F262 HydrophobicContact CB-CD2 4.41Å; L260-F262 HydrophobicContact CB-CE2 3.69Å; L260-F262 HydrophobicContact CB-CZ 4.49Å; F262-W264 HydrophobicContact CB-CH2 4.13Å; F262-W264 HydrophobicContact CB-CZ2 4.34Å; F262-W264 HydrophobicContact CB-CZ3 4.37Å; F262-W264 AromaticContact CD1-CH2 3.33Å; F262-W264 HydrophobicContact CD1-CH2 3.33Å; F262-W264 AromaticContact CD1-CZ2 3.37Å; F262-W264 HydrophobicContact CD1-CZ2 3.37Å; F262-W264 HydrophobicContact CD1-CZ3 4.31Å; F262-W264 AromaticContact CE1-CH2 3.86Å; F262-W264 HydrophobicContact CE1-CH2 3.86Å; F262-W264 AromaticContact CE1-CZ2 4Å; F262-W264 HydrophobicContact CE1-CZ2 4Å; F262-W264 AromaticContact CG-CH2 3.87Å; F262-W264 HydrophobicContact CG-CH2 3.87Å; F262-W264 HydrophobicContact CG-CZ2 4.19Å; F262-W264 HydrophobicContact CG-CZ3 4.46Å |
| 263 | N | 81.6 | Confident | 70.2 | Confident | 112 Ų | 112 | 71.5 Ų | 71.5 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | trans | -100.9 | 36.8 | -169.4 | -69.1 | -10.3 | 0 | 0 | 0 | 114 | G135 S261 | G135-N263 VanDerWaalsContact CA-OD1 3.32Å; G135-N263 WeakPolarHBondContact CA-OD1 3.39Å; S261-N263 VanDerWaalsContact OG-CG 3.22Å; S261-N263 PolarHBondContact OG-ND2 3.3Å | ||
| 264 | W | 80.1 | Confident | 70.3 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -112.3 | 167.5 | 178 | 56.3 | 83.9 | 0 | 0 | 0 | 113.4 | N104 D106 A107 N110 T139 S261 F262 | N104-W264 VanDerWaalsContact ND2-CB 3.32Å; N104-W264 WeakPolarHBondContact ND2-CB 3.31Å; D106-W264 HydrophobicContact CB-CE3 4.17Å; D106-W264 HydrophobicContact CB-CZ3 3.82Å; A107-W264 HydrophobicContact CB-CH2 3.84Å; A107-W264 HydrophobicContact CB-CZ2 3.6Å; N110-W264 WeakPolarHBondContact ND2-CH2 3.47Å; T139-W264 HydrophobicContact CG2-CG 4.28Å; T139-W264 WeakPolarHBondContact CG2-O 3.46Å; T139-W264 VanDerWaalsContact O-CZ2 3.3Å; T139-W264 WeakPolarHBondContact O-CZ2 3.13Å; T139-W264 PolarHBondContact O-NE1 2.67Å; S261-W264 WeakPolarHBondContact O-CZ3 3.41Å; F262-W264 HydrophobicContact CB-CH2 4.13Å; F262-W264 HydrophobicContact CB-CZ2 4.34Å; F262-W264 HydrophobicContact CB-CZ3 4.37Å; F262-W264 AromaticContact CD1-CH2 3.33Å; F262-W264 HydrophobicContact CD1-CH2 3.33Å; F262-W264 AromaticContact CD1-CZ2 3.37Å; F262-W264 HydrophobicContact CD1-CZ2 3.37Å; F262-W264 HydrophobicContact CD1-CZ3 4.31Å; F262-W264 AromaticContact CE1-CH2 3.86Å; F262-W264 HydrophobicContact CE1-CH2 3.86Å; F262-W264 AromaticContact CE1-CZ2 4Å; F262-W264 HydrophobicContact CE1-CZ2 4Å; F262-W264 AromaticContact CG-CH2 3.87Å; F262-W264 HydrophobicContact CG-CH2 3.87Å; F262-W264 HydrophobicContact CG-CZ2 4.19Å; F262-W264 HydrophobicContact CG-CZ3 4.46Å |
| 265 | P | 68.4 | Low | 70.9 | Confident | 122 Ų | 122 | 67.2 Ų | 67.2 | 79% | 0.792 | 35% | 0.345 | S | S | * | . | trans | -62.5 | 150.5 | -180 | -24.3 | 35.3 | 0 | 0 | 0 | 114.5 | ||||
| 266 | S | 66.4 | Low | 72.2 | Confident | 53 Ų | 53 | 64 Ų | 64 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | trans | -69.3 | 137.3 | -173.8 | -162.7 | 0 | 0 | 0 | 0 | 114.8 | C137 G138 R268 | C137-S266 WeakPolarHBondContact O-CB 3.48Å; C137-S266 PolarHBondContact O-OG 2.92Å; G138-S266 WeakPolarHBondContact CA-OG 3.45Å; S266-R268 PolarHBondContact O-N 3.08Å | ||
| 267 | Y | 62.3 | Low | 73.2 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -77.7 | -14.6 | 179.9 | -173.4 | -102.8 | 0 | 0 | 0 | 115 | L101 V103 G138 S269 R270 | L101-Y267 HydrophobicContact CD2-CD2 4.41Å; L101-Y267 HydrophobicContact CD2-CE2 3.61Å; V103-Y267 HydrophobicContact CG1-CD2 4.05Å; V103-Y267 HydrophobicContact CG1-CE2 4.47Å; G138-Y267 PolarHBondContact O-N 3.49Å; Y267-S269 PolarHBondContact O-N 3.42Å; Y267-R270 HydrophobicContact CD2-CG 4.27Å; Y267-R270 HydrophobicContact CE1-CB 4.1Å; Y267-R270 HydrophobicContact CE1-CG 4.48Å; Y267-R270 HydrophobicContact CE2-CB 4.24Å; Y267-R270 VanDerWaalsContact CE2-CD 3.43Å; Y267-R270 HydrophobicContact CE2-CG 3.72Å; Y267-R270 PolarHBondContact O-N 3.23Å; Y267-R270 VanDerWaalsContact O-N 3.13Å; Y267-R270 WeakPolarHBondContact OH-CD 3.42Å; Y267-R270 PolarHBondContact OH-NH1 2.92Å |
| 268 | R | 57.8 | Low | 73.9 | Confident | 159 Ų | 159 | 52.9 Ų | 52.9 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -57.9 | -8.5 | -174.1 | -70.8 | -176.7 | 178.2 | 163.8 | 1.2 | 114.5 | S266 R270 | S266-R268 PolarHBondContact O-N 3.08Å; R268-R270 PolarHBondContact O-N 3.43Å |
| 269 | S | 50.6 | Low | 74.2 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -66.7 | -22 | 173.3 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | Y267 R272 | Y267-S269 PolarHBondContact O-N 3.42Å; S269-R272 WeakPolarHBondContact O-CD 3.47Å; S269-R272 WeakPolarHBondContact O-CG 3.32Å; S269-R272 VanDerWaalsContact O-CZ 3.31Å; S269-R272 PolarHBondContact O-NE 3.39Å; S269-R272 VanDerWaalsContact O-NE 3.08Å |
| 270 | R | 54.5 | Low | 74.3 | Confident | 147 Ų | 147 | 47.1 Ų | 47.1 | 56% | 0.555 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -81.5 | -10.9 | -173.4 | -70.4 | -147.9 | -168.1 | 155.8 | -9.8 | 117.2 | Y267 R268 R272 | Y267-R270 HydrophobicContact CD2-CG 4.27Å; Y267-R270 HydrophobicContact CE1-CB 4.1Å; Y267-R270 HydrophobicContact CE1-CG 4.48Å; Y267-R270 HydrophobicContact CE2-CB 4.24Å; Y267-R270 VanDerWaalsContact CE2-CD 3.43Å; Y267-R270 HydrophobicContact CE2-CG 3.72Å; Y267-R270 PolarHBondContact O-N 3.23Å; Y267-R270 VanDerWaalsContact O-N 3.13Å; Y267-R270 WeakPolarHBondContact OH-CD 3.42Å; Y267-R270 PolarHBondContact OH-NH1 2.92Å; R268-R270 PolarHBondContact O-N 3.43Å; R270-R272 PolarHBondContact O-N 2.9Å |
| 271 | I | 56.9 | Low | 74 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -55.4 | -23 | 179.4 | -68.6 | 169.7 | 0 | 0 | 0 | 113.2 | G273 A274 Y354 | I271-G273 PolarHBondContact O-N 3.5Å; I271-A274 PolarHBondContact O-N 3.05Å; I271-Y354 HydrophobicContact CG2-CD1 4.29Å |
| 272 | R | 60.1 | Low | 73.7 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | -171.5 | -59.5 | 167.8 | -167 | 157.4 | 1.2 | 114 | S269 R270 F300 S301 V302 Y305 | S269-R272 WeakPolarHBondContact O-CD 3.47Å; S269-R272 WeakPolarHBondContact O-CG 3.32Å; S269-R272 VanDerWaalsContact O-CZ 3.31Å; S269-R272 PolarHBondContact O-NE 3.39Å; S269-R272 VanDerWaalsContact O-NE 3.08Å; R270-R272 PolarHBondContact O-N 2.9Å; R272-F300 HydrophobicContact CB-CD1 4.43Å; R272-S301 PolarHBondContact NE-OG 3.23Å; R272-S301 PolarHBondContact NH1-OG 2.7Å; R272-S301 PolarHBondContact NH2-OG 3.14Å; R272-V302 VanDerWaalsContact NH1-CG2 3.34Å; R272-Y305 HydrophobicContact CB-CD2 4.02Å; R272-Y305 HydrophobicContact CB-CE2 4.22Å |
| 273 | G | 66.3 | Low | 73.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.7 | -25.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I271 V275 G277 T341 | I271-G273 PolarHBondContact O-N 3.5Å; G273-V275 PolarHBondContact O-N 3.35Å; G273-G277 PolarHBondContact O-N 3.48Å; G273-T341 VanDerWaalsContact O-CG2 3.25Å; G273-T341 WeakPolarHBondContact O-CG2 3.46Å |
| 274 | A | 72.7 | Confident | 73.5 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I271 A278 V347 | I271-A274 PolarHBondContact O-N 3.05Å; A274-A278 PolarHBondContact O-N 3.17Å; A274-V347 HydrophobicContact CB-CG2 4.31Å |
| 275 | V | 82 | Confident | 73.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.6 | -43.3 | 179.7 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | G273 G277 A278 F279 F300 L351 V355 L358 | G273-V275 PolarHBondContact O-N 3.35Å; V275-G277 VanDerWaalsContact C-N 3.33Å; V275-G277 PolarHBondContact O-N 3.05Å; V275-A278 WeakPolarHBondContact O-CB 3.32Å; V275-A278 PolarHBondContact O-N 2.94Å; V275-A278 VanDerWaalsContact O-N 3.16Å; V275-F279 HydrophobicContact CG1-CD2 4.34Å; V275-F279 HydrophobicContact CG1-CE1 4.25Å; V275-F279 HydrophobicContact CG1-CE2 3.55Å; V275-F279 HydrophobicContact CG1-CZ 3.51Å; V275-F279 WeakPolarHBondContact O-CD2 3.42Å; V275-F279 WeakPolarHBondContact O-CG 3.49Å; V275-F279 PolarHBondContact O-N 2.91Å; V275-F279 VanDerWaalsContact O-N 3.09Å; V275-F300 HydrophobicContact CG1-CZ 4.37Å; V275-L351 HydrophobicContact CG1-CD1 4.21Å; V275-V355 HydrophobicContact CG1-CG2 4.03Å; V275-V355 HydrophobicContact CG2-CG2 4.45Å; V275-L358 HydrophobicContact CB-CD1 3.68Å; V275-L358 HydrophobicContact CG1-CD1 4.27Å; V275-L358 HydrophobicContact CG2-CD1 3.25Å |
| 276 | I | 87.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.7 | -74.7 | 170.4 | 0 | 0 | 0 | 110.8 | A278 F279 F280 F300 Y305 I308 I312 T341 | I276-A278 VanDerWaalsContact C-N 3.3Å; I276-A278 PolarHBondContact O-N 2.8Å; I276-F279 PolarHBondContact O-N 3.08Å; I276-F280 HydrophobicContact CG2-CD2 4.4Å; I276-F280 HydrophobicContact CG2-CE1 4.18Å; I276-F280 HydrophobicContact CG2-CE2 3.69Å; I276-F280 HydrophobicContact CG2-CZ 3.56Å; I276-F280 PolarHBondContact O-N 3.15Å; I276-F300 HydrophobicContact CD1-CD1 4.09Å; I276-F300 HydrophobicContact CD1-CE1 3.77Å; I276-F300 HydrophobicContact CD1-CZ 4.07Å; I276-F300 HydrophobicContact CG1-CE1 3.88Å; I276-F300 HydrophobicContact CG1-CZ 3.92Å; I276-Y305 HydrophobicContact CD1-CD1 3.44Å; I276-Y305 VanDerWaalsContact CD1-CD1 3.44Å; I276-Y305 HydrophobicContact CD1-CE1 4.39Å; I276-Y305 HydrophobicContact CD1-CG 3.93Å; I276-Y305 WeakPolarHBondContact CD1-O 3.47Å; I276-I308 HydrophobicContact CD1-CG2 4.36Å; I276-I308 HydrophobicContact CG2-CG2 3.69Å; I276-I312 HydrophobicContact CG2-CD1 3.99Å; I276-T341 HydrophobicContact CB-CG2 4.01Å; I276-T341 HydrophobicContact CG2-CG2 3.68Å |
| 277 | G | 84.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.3 | -45.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G273 V275 F279 F280 L281 T345 | G273-G277 PolarHBondContact O-N 3.48Å; V275-G277 VanDerWaalsContact C-N 3.33Å; V275-G277 PolarHBondContact O-N 3.05Å; G277-F279 VanDerWaalsContact C-N 3.3Å; G277-F279 PolarHBondContact O-N 2.91Å; G277-F280 WeakPolarHBondContact O-CB 3.22Å; G277-F280 PolarHBondContact O-N 2.81Å; G277-F280 VanDerWaalsContact O-N 3.11Å; G277-L281 PolarHBondContact O-N 3.14Å; G277-T345 WeakPolarHBondContact O-CG2 3.39Å |
| 278 | A | 83.9 | Confident | 75.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -36.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A274 V275 I276 L281 R282 L351 | A274-A278 PolarHBondContact O-N 3.17Å; V275-A278 WeakPolarHBondContact O-CB 3.32Å; V275-A278 PolarHBondContact O-N 2.94Å; V275-A278 VanDerWaalsContact O-N 3.16Å; I276-A278 VanDerWaalsContact C-N 3.3Å; I276-A278 PolarHBondContact O-N 2.8Å; A278-L281 PolarHBondContact O-N 2.78Å; A278-R282 WeakPolarHBondContact O-CB 3.5Å; A278-R282 WeakPolarHBondContact O-CG 3.5Å; A278-R282 PolarHBondContact O-N 2.97Å; A278-L351 HydrophobicContact CB-CD1 3.78Å |
| 279 | F | 88.2 | Confident | 77 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 172.5 | -60.6 | -36.3 | 0 | 0 | 0 | 112.5 | V275 I276 G277 L281 G283 V288 I291 L292 Y309 I312 L351 | V275-F279 HydrophobicContact CG1-CD2 4.34Å; V275-F279 HydrophobicContact CG1-CE1 4.25Å; V275-F279 HydrophobicContact CG1-CE2 3.55Å; V275-F279 HydrophobicContact CG1-CZ 3.51Å; V275-F279 WeakPolarHBondContact O-CD2 3.42Å; V275-F279 WeakPolarHBondContact O-CG 3.49Å; V275-F279 PolarHBondContact O-N 2.91Å; V275-F279 VanDerWaalsContact O-N 3.09Å; I276-F279 PolarHBondContact O-N 3.08Å; G277-F279 VanDerWaalsContact C-N 3.3Å; G277-F279 PolarHBondContact O-N 2.91Å; F279-L281 VanDerWaalsContact C-N 3.29Å; F279-L281 PolarHBondContact O-N 2.9Å; F279-G283 PolarHBondContact O-N 3.32Å; F279-V288 HydrophobicContact CD1-CB 4.47Å; F279-V288 HydrophobicContact CD1-CG1 3.66Å; F279-V288 HydrophobicContact CD1-CG2 4.11Å; F279-V288 HydrophobicContact CE1-CG1 4.13Å; F279-V288 HydrophobicContact CG-CG1 4.45Å; F279-I291 HydrophobicContact CE1-CG2 4.02Å; F279-I291 HydrophobicContact CZ-CG2 3.8Å; F279-L292 HydrophobicContact CE2-CD2 4.25Å; F279-L292 HydrophobicContact CZ-CD2 4.28Å; F279-Y309 HydrophobicContact CD2-CD2 4.27Å; F279-Y309 HydrophobicContact CD2-CE2 4.31Å; F279-Y309 AromaticContact CE2-CD2 3.77Å; F279-Y309 HydrophobicContact CE2-CD2 3.77Å; F279-Y309 AromaticContact CE2-CE2 3.53Å; F279-Y309 HydrophobicContact CE2-CE2 3.53Å; F279-Y309 HydrophobicContact CZ-CE2 4.16Å; F279-I312 HydrophobicContact CB-CD1 4.27Å; F279-I312 HydrophobicContact CB-CG2 4.41Å; F279-I312 HydrophobicContact CD2-CD1 4.19Å; F279-L351 HydrophobicContact CD1-CD2 4.29Å; F279-L351 HydrophobicContact CE1-CD1 4.1Å; F279-L351 HydrophobicContact CE1-CD2 4.02Å |
| 280 | F | 88.5 | Confident | 78.3 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -36.3 | 174.5 | -60.4 | -26.6 | 0 | 0 | 0 | 112.7 | I276 G277 I308 I312 I322 P324 L327 I338 T341 | I276-F280 HydrophobicContact CG2-CD2 4.4Å; I276-F280 HydrophobicContact CG2-CE1 4.18Å; I276-F280 HydrophobicContact CG2-CE2 3.69Å; I276-F280 HydrophobicContact CG2-CZ 3.56Å; I276-F280 PolarHBondContact O-N 3.15Å; G277-F280 WeakPolarHBondContact O-CB 3.22Å; G277-F280 PolarHBondContact O-N 2.81Å; G277-F280 VanDerWaalsContact O-N 3.11Å; F280-I308 HydrophobicContact CE1-CG2 4.45Å; F280-I308 HydrophobicContact CZ-CG2 3.8Å; F280-I312 HydrophobicContact CD1-CD1 4.14Å; F280-I312 HydrophobicContact CE1-CD1 3.47Å; F280-I312 VanDerWaalsContact CE1-CD1 3.47Å; F280-I312 HydrophobicContact CE1-CG1 3.79Å; F280-I312 HydrophobicContact CZ-CD1 4.13Å; F280-I322 HydrophobicContact CD1-CG2 4.12Å; F280-P324 HydrophobicContact CB-CG 4.32Å; F280-P324 HydrophobicContact CD1-CB 4.13Å; F280-P324 HydrophobicContact CD2-CB 4.12Å; F280-P324 HydrophobicContact CE1-CB 4.34Å; F280-P324 HydrophobicContact CE2-CB 4.31Å; F280-P324 HydrophobicContact CG-CB 4.03Å; F280-P324 HydrophobicContact CG-CG 4.34Å; F280-P324 HydrophobicContact CZ-CB 4.42Å; F280-L327 HydrophobicContact CE1-CD1 3.8Å; F280-I338 HydrophobicContact CE2-CG2 3.96Å; F280-I338 HydrophobicContact CZ-CG2 3.91Å; F280-T341 HydrophobicContact CE2-CG2 4.35Å |
| 281 | L | 83.8 | Confident | 79.7 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 43% | 0.429 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -77.8 | -39.6 | -177.9 | -170.8 | 71.3 | 0 | 0 | 0 | 112.8 | G277 A278 F279 T345 K348 | G277-L281 PolarHBondContact O-N 3.14Å; A278-L281 PolarHBondContact O-N 2.78Å; F279-L281 VanDerWaalsContact C-N 3.29Å; F279-L281 PolarHBondContact O-N 2.9Å; L281-T345 HydrophobicContact CB-CG2 4.24Å; L281-K348 HydrophobicContact CD2-CD 4.41Å; L281-K348 HydrophobicContact CD2-CG 3.7Å |
| 282 | R | 82 | Confident | 81 | Confident | 72 Ų | 72 | 34.2 Ų | 34.2 | 27% | 0.272 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -87.7 | -22.9 | -174.4 | -69.4 | -174.4 | 65.4 | 167.5 | 1.8 | 113.6 | A278 D285 E287 V288 | A278-R282 WeakPolarHBondContact O-CB 3.5Å; A278-R282 WeakPolarHBondContact O-CG 3.5Å; A278-R282 PolarHBondContact O-N 2.97Å; R282-D285 IonicContact CZ-OD2 3.42Å; R282-D285 IonicContact NE-OD2 3.5Å; R282-D285 PolarHBondContact NE-OD2 3Å; R282-D285 IonicContact NH2-OD1 2.68Å; R282-D285 PolarHBondContact NH2-OD1 3.06Å; R282-D285 IonicContact NH2-OD2 3.74Å; R282-D285 PolarHBondContact NH2-OD2 2.72Å; R282-E287 IonicContact CZ-OE2 2.69Å; R282-E287 IonicContact NH1-OE1 3.89Å; R282-E287 PolarHBondContact NH1-OE1 2.95Å; R282-E287 VanDerWaalsContact NH1-OE1 3.11Å; R282-E287 IonicContact NH1-OE2 2.85Å; R282-E287 PolarHBondContact NH1-OE2 3.21Å; R282-E287 IonicContact NH2-OE2 3.89Å; R282-E287 PolarHBondContact NH2-OE2 2.8Å; R282-V288 HydrophobicContact CB-CG2 3.95Å |
| 283 | G | 84.4 | Confident | 81.8 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | trans | 67.6 | -161.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F279 D285 V288 | F279-G283 PolarHBondContact O-N 3.32Å; G283-D285 PolarHBondContact O-N 3.1Å; G283-V288 WeakPolarHBondContact O-CB 3.47Å; G283-V288 WeakPolarHBondContact O-CG1 3.28Å | ||
| 284 | A | 82.2 | Confident | 82.4 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82.5 | 54.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M289 G320 I322 | A284-M289 HydrophobicContact CB-CG 4.38Å; A284-M289 HydrophobicContact CB-SD 3.98Å; A284-G320 VanDerWaalsContact CB-O 3.24Å; A284-G320 WeakPolarHBondContact CB-O 3.19Å; A284-I322 HydrophobicContact CB-CD1 4.45Å; A284-I322 HydrophobicContact CB-CG1 4.42Å |
| 285 | D | 83.2 | Confident | 82.9 | Confident | 36 Ų | 36 | 38.7 Ų | 38.7 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | trans | -72.1 | 162.6 | 172.3 | 79.5 | 34.6 | 0 | 0 | 0 | 111.6 | R282 G283 E287 V288 M289 | R282-D285 IonicContact CZ-OD2 3.42Å; R282-D285 IonicContact NE-OD2 3.5Å; R282-D285 PolarHBondContact NE-OD2 3Å; R282-D285 IonicContact NH2-OD1 2.68Å; R282-D285 PolarHBondContact NH2-OD1 3.06Å; R282-D285 IonicContact NH2-OD2 3.74Å; R282-D285 PolarHBondContact NH2-OD2 2.72Å; G283-D285 PolarHBondContact O-N 3.1Å; D285-E287 VanDerWaalsContact C-N 3.3Å; D285-E287 PolarHBondContact O-N 3.01Å; D285-E287 WeakPolarHBondContact OD1-CB 3.46Å; D285-E287 PolarHBondContact OD1-N 3.33Å; D285-V288 PolarHBondContact O-N 2.8Å; D285-V288 WeakPolarHBondContact OD1-CG2 3.32Å; D285-V288 PolarHBondContact OD1-N 2.84Å; D285-M289 WeakPolarHBondContact O-CG 3.36Å; D285-M289 PolarHBondContact O-N 3.44Å | ||
| 286 | P | 80.1 | Confident | 83 | Confident | 105 Ų | 105 | 41.9 Ų | 41.9 | 68% | 0.682 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -56.9 | -38.3 | -176.6 | -26.8 | 35.3 | 0 | 0 | 0 | 114.3 | M289 D290 | P286-M289 PolarHBondContact O-N 3.46Å; P286-D290 PolarHBondContact O-N 3.27Å |
| 287 | E | 80.3 | Confident | 82.9 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 179.4 | -171.3 | -168.1 | 146.7 | 0 | 0 | 110.8 | R282 D285 D290 I291 | R282-E287 IonicContact CZ-OE2 2.69Å; R282-E287 IonicContact NH1-OE1 3.89Å; R282-E287 PolarHBondContact NH1-OE1 2.95Å; R282-E287 VanDerWaalsContact NH1-OE1 3.11Å; R282-E287 IonicContact NH1-OE2 2.85Å; R282-E287 PolarHBondContact NH1-OE2 3.21Å; R282-E287 IonicContact NH2-OE2 3.89Å; R282-E287 PolarHBondContact NH2-OE2 2.8Å; D285-E287 VanDerWaalsContact C-N 3.3Å; D285-E287 PolarHBondContact O-N 3.01Å; D285-E287 WeakPolarHBondContact OD1-CB 3.46Å; D285-E287 PolarHBondContact OD1-N 3.33Å; E287-D290 PolarHBondContact O-N 2.96Å; E287-I291 HydrophobicContact CG-CD1 4.24Å; E287-I291 WeakPolarHBondContact O-CD1 3.41Å; E287-I291 VanDerWaalsContact O-CG1 3.26Å; E287-I291 WeakPolarHBondContact O-CG1 3.35Å; E287-I291 PolarHBondContact O-N 3.5Å |
| 288 | V | 84 | Confident | 82.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 173.9 | 173 | 0 | 0 | 0 | 0 | 109.9 | F279 R282 G283 D285 D290 I291 L292 I322 L351 | F279-V288 HydrophobicContact CD1-CB 4.47Å; F279-V288 HydrophobicContact CD1-CG1 3.66Å; F279-V288 HydrophobicContact CD1-CG2 4.11Å; F279-V288 HydrophobicContact CE1-CG1 4.13Å; F279-V288 HydrophobicContact CG-CG1 4.45Å; R282-V288 HydrophobicContact CB-CG2 3.95Å; G283-V288 WeakPolarHBondContact O-CB 3.47Å; G283-V288 WeakPolarHBondContact O-CG1 3.28Å; D285-V288 PolarHBondContact O-N 2.8Å; D285-V288 WeakPolarHBondContact OD1-CG2 3.32Å; D285-V288 PolarHBondContact OD1-N 2.84Å; V288-D290 PolarHBondContact O-N 3.49Å; V288-I291 PolarHBondContact O-N 2.74Å; V288-L292 HydrophobicContact CG1-CD1 3.96Å; V288-L292 HydrophobicContact CG1-CG 4.05Å; V288-L292 WeakPolarHBondContact O-CB 3.4Å; V288-L292 VanDerWaalsContact O-CG 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.38Å; V288-L292 PolarHBondContact O-N 3.15Å; V288-I322 HydrophobicContact CG1-CD1 3.8Å; V288-L351 HydrophobicContact CG2-CD2 3.8Å |
| 289 | M | 80.8 | Confident | 82.9 | Confident | 70 Ų | 70 | 48.4 Ų | 48.4 | 35% | 0.345 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 179.3 | -69.4 | -60.6 | -74.7 | 0 | 0 | 112.5 | A284 D285 P286 I291 L292 A293 A316 | A284-M289 HydrophobicContact CB-CG 4.38Å; A284-M289 HydrophobicContact CB-SD 3.98Å; D285-M289 WeakPolarHBondContact O-CG 3.36Å; D285-M289 PolarHBondContact O-N 3.44Å; P286-M289 PolarHBondContact O-N 3.46Å; M289-I291 VanDerWaalsContact C-N 3.34Å; M289-I291 PolarHBondContact O-N 2.97Å; M289-L292 PolarHBondContact O-N 2.82Å; M289-L292 HydrophobicContact SD-CD1 4.26Å; M289-A293 WeakPolarHBondContact O-CB 3.26Å; M289-A293 PolarHBondContact O-N 3.1Å; M289-A316 HydrophobicContact SD-CB 3.92Å |
| 290 | D | 79.7 | Confident | 82.8 | Confident | 113 Ų | 113 | 48.4 Ų | 48.4 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 174.1 | -76.7 | -13 | 0 | 0 | 0 | 112.2 | P286 E287 V288 A293 T294 | P286-D290 PolarHBondContact O-N 3.27Å; E287-D290 PolarHBondContact O-N 2.96Å; V288-D290 PolarHBondContact O-N 3.49Å; D290-A293 PolarHBondContact O-N 3.36Å; D290-T294 WeakPolarHBondContact O-CG2 3.42Å; D290-T294 PolarHBondContact O-N 3.35Å; D290-T294 PolarHBondContact O-OG1 2.91Å |
| 291 | I | 83.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 174.6 | -68.9 | 161.4 | 0 | 0 | 0 | 110.4 | F279 E287 V288 M289 A293 T294 L295 L351 V355 | F279-I291 HydrophobicContact CE1-CG2 4.02Å; F279-I291 HydrophobicContact CZ-CG2 3.8Å; E287-I291 HydrophobicContact CG-CD1 4.24Å; E287-I291 WeakPolarHBondContact O-CD1 3.41Å; E287-I291 VanDerWaalsContact O-CG1 3.26Å; E287-I291 WeakPolarHBondContact O-CG1 3.35Å; E287-I291 PolarHBondContact O-N 3.5Å; V288-I291 PolarHBondContact O-N 2.74Å; M289-I291 VanDerWaalsContact C-N 3.34Å; M289-I291 PolarHBondContact O-N 2.97Å; I291-A293 PolarHBondContact O-N 2.92Å; I291-T294 PolarHBondContact O-N 3.46Å; I291-T294 VanDerWaalsContact O-N 3.1Å; I291-T294 PolarHBondContact O-OG1 3.39Å; I291-L295 HydrophobicContact CG2-CB 4.23Å; I291-L295 HydrophobicContact CG2-CD2 4.11Å; I291-L295 WeakPolarHBondContact O-CB 3.37Å; I291-L295 PolarHBondContact O-N 2.93Å; I291-L351 HydrophobicContact CD1-CD2 3.59Å; I291-L351 HydrophobicContact CD1-CG 3.71Å; I291-V355 HydrophobicContact CD1-CG2 4.15Å; I291-V355 HydrophobicContact CG2-CG1 4.06Å; I291-V355 HydrophobicContact CG2-CG2 3.85Å |
| 292 | L | 84.8 | Confident | 82.5 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -29.6 | 178.7 | -67.8 | -176.8 | 0 | 0 | 0 | 112.7 | F279 V288 M289 T294 Y309 I312 A316 I322 | F279-L292 HydrophobicContact CE2-CD2 4.25Å; F279-L292 HydrophobicContact CZ-CD2 4.28Å; V288-L292 HydrophobicContact CG1-CD1 3.96Å; V288-L292 HydrophobicContact CG1-CG 4.05Å; V288-L292 WeakPolarHBondContact O-CB 3.4Å; V288-L292 VanDerWaalsContact O-CG 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.38Å; V288-L292 PolarHBondContact O-N 3.15Å; M289-L292 PolarHBondContact O-N 2.82Å; M289-L292 HydrophobicContact SD-CD1 4.26Å; L292-T294 VanDerWaalsContact C-N 3.32Å; L292-Y309 HydrophobicContact CD2-CD2 4.4Å; L292-Y309 HydrophobicContact CD2-CE2 3.45Å; L292-Y309 VanDerWaalsContact CD2-CE2 3.45Å; L292-I312 HydrophobicContact CD1-CG2 4.21Å; L292-I312 HydrophobicContact CD2-CG2 4.11Å; L292-A316 HydrophobicContact CD1-CB 3.55Å; L292-I322 HydrophobicContact CD1-CD1 3.94Å |
| 293 | A | 75.8 | Confident | 82.6 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.4 | -26.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M289 D290 I291 | M289-A293 WeakPolarHBondContact O-CB 3.26Å; M289-A293 PolarHBondContact O-N 3.1Å; D290-A293 PolarHBondContact O-N 3.36Å; I291-A293 PolarHBondContact O-N 2.92Å |
| 294 | T | 79.9 | Confident | 82.8 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -116.4 | -9.9 | -168.3 | 59.7 | 0 | 0 | 0 | 0 | 115 | D290 I291 L292 R359 | D290-T294 WeakPolarHBondContact O-CG2 3.42Å; D290-T294 PolarHBondContact O-N 3.35Å; D290-T294 PolarHBondContact O-OG1 2.91Å; I291-T294 PolarHBondContact O-N 3.46Å; I291-T294 VanDerWaalsContact O-N 3.1Å; I291-T294 PolarHBondContact O-OG1 3.39Å; L292-T294 VanDerWaalsContact C-N 3.32Å; T294-R359 VanDerWaalsContact CB-NH2 3.3Å; T294-R359 PolarHBondContact O-NH2 2.9Å; T294-R359 PolarHBondContact OG1-NH2 3.49Å |
| 295 | L | 82.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -103 | 114 | -175.6 | -172.9 | 71.9 | 0 | 0 | 0 | 110.3 | I291 V299 F300 Y309 V355 R359 | I291-L295 HydrophobicContact CG2-CB 4.23Å; I291-L295 HydrophobicContact CG2-CD2 4.11Å; I291-L295 WeakPolarHBondContact O-CB 3.37Å; I291-L295 PolarHBondContact O-N 2.93Å; L295-V299 HydrophobicContact CD1-CB 4.31Å; L295-V299 HydrophobicContact CD1-CG1 3.85Å; L295-V299 HydrophobicContact CD1-CG2 3.87Å; L295-V299 HydrophobicContact CD2-CG2 4.18Å; L295-V299 HydrophobicContact CG-CG1 4.48Å; L295-V299 HydrophobicContact CG-CG2 3.87Å; L295-F300 HydrophobicContact CD2-CE2 4.47Å; L295-Y309 WeakPolarHBondContact CB-OH 3.03Å; L295-Y309 HydrophobicContact CD2-CE2 4.23Å; L295-Y309 WeakPolarHBondContact O-CE1 3.49Å; L295-Y309 PolarHBondContact O-OH 3.39Å; L295-V355 HydrophobicContact CD1-CG1 4.05Å; L295-V355 HydrophobicContact CD2-CG1 4.27Å; L295-R359 HydrophobicContact CD1-CG 3.66Å | ||
| 296 | P | 83.5 | Confident | 83.5 | Confident | 69 Ų | 69 | 53 Ų | 53 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | trans | -75.3 | 154.1 | 177.7 | 28.4 | -29.9 | 0 | 0 | 0 | 111.2 | D298 V299 | P296-D298 VanDerWaalsContact C-N 3.31Å; P296-D298 VanDerWaalsContact CB-OD1 3.27Å; P296-D298 WeakPolarHBondContact CB-OD1 3.42Å; P296-D298 WeakPolarHBondContact CG-OD1 3.35Å; P296-D298 PolarHBondContact O-N 2.95Å; P296-V299 HydrophobicContact CG-CG1 3.89Å; P296-V299 WeakPolarHBondContact O-CG1 3.37Å; P296-V299 WeakPolarHBondContact O-CG2 3.44Å; P296-V299 PolarHBondContact O-N 3.24Å | ||
| 297 | A | 85.9 | Confident | 83.9 | Confident | 31 Ų | 31 | 50 Ų | 50 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -68.4 | -27.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V299 F300 Q306 Y309 | A297-V299 PolarHBondContact O-N 3.01Å; A297-F300 WeakPolarHBondContact O-CD2 3.43Å; A297-F300 PolarHBondContact O-N 3.29Å; A297-Q306 WeakPolarHBondContact O-CG 3.26Å; A297-Y309 HydrophobicContact CB-CD1 3.82Å; A297-Y309 HydrophobicContact CB-CE1 4.36Å |
| 298 | D | 84.1 | Confident | 84.5 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.8 | -13.6 | -179.8 | 59.4 | -1.7 | 0 | 0 | 0 | 114.3 | P296 F300 R365 | P296-D298 VanDerWaalsContact C-N 3.31Å; P296-D298 VanDerWaalsContact CB-OD1 3.27Å; P296-D298 WeakPolarHBondContact CB-OD1 3.42Å; P296-D298 WeakPolarHBondContact CG-OD1 3.35Å; P296-D298 PolarHBondContact O-N 2.95Å; D298-F300 PolarHBondContact O-N 3.17Å; D298-F300 VanDerWaalsContact O-N 3.16Å; D298-R365 PolarHBondContact O-NH2 3.33Å |
| 299 | V | 84.5 | Confident | 84.8 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.7 | -25.8 | 171.6 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | L295 P296 A297 L358 A362 R365 | L295-V299 HydrophobicContact CD1-CB 4.31Å; L295-V299 HydrophobicContact CD1-CG1 3.85Å; L295-V299 HydrophobicContact CD1-CG2 3.87Å; L295-V299 HydrophobicContact CD2-CG2 4.18Å; L295-V299 HydrophobicContact CG-CG1 4.48Å; L295-V299 HydrophobicContact CG-CG2 3.87Å; P296-V299 HydrophobicContact CG-CG1 3.89Å; P296-V299 WeakPolarHBondContact O-CG1 3.37Å; P296-V299 WeakPolarHBondContact O-CG2 3.44Å; P296-V299 PolarHBondContact O-N 3.24Å; A297-V299 PolarHBondContact O-N 3.01Å; V299-L358 HydrophobicContact CG2-CD2 4.25Å; V299-A362 HydrophobicContact CB-CB 4.02Å; V299-A362 HydrophobicContact CG1-CB 4.11Å; V299-R365 PolarHBondContact O-NH2 2.97Å |
| 300 | F | 85.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -84.8 | 118.6 | 172.1 | -61.1 | -83.7 | 0 | 0 | 0 | 109.2 | R272 V275 I276 L295 A297 D298 V302 Q306 Y309 L358 | R272-F300 HydrophobicContact CB-CD1 4.43Å; V275-F300 HydrophobicContact CG1-CZ 4.37Å; I276-F300 HydrophobicContact CD1-CD1 4.09Å; I276-F300 HydrophobicContact CD1-CE1 3.77Å; I276-F300 HydrophobicContact CD1-CZ 4.07Å; I276-F300 HydrophobicContact CG1-CE1 3.88Å; I276-F300 HydrophobicContact CG1-CZ 3.92Å; L295-F300 HydrophobicContact CD2-CE2 4.47Å; A297-F300 WeakPolarHBondContact O-CD2 3.43Å; A297-F300 PolarHBondContact O-N 3.29Å; D298-F300 PolarHBondContact O-N 3.17Å; D298-F300 VanDerWaalsContact O-N 3.16Å; F300-V302 VanDerWaalsContact C-N 3.26Å; F300-V302 PolarHBondContact O-N 2.97Å; F300-Q306 HydrophobicContact CB-CG 3.95Å; F300-Q306 WeakPolarHBondContact O-CG 3.33Å; F300-Q306 PolarHBondContact O-NE2 3.19Å; F300-Y309 HydrophobicContact CD2-CD1 4.36Å; F300-Y309 HydrophobicContact CD2-CG 4.07Å; F300-Y309 AromaticContact CE2-CD1 3.95Å; F300-Y309 HydrophobicContact CE2-CD1 3.95Å; F300-Y309 AromaticContact CE2-CD2 3.59Å; F300-Y309 HydrophobicContact CE2-CD2 3.59Å; F300-Y309 HydrophobicContact CE2-CE1 4.49Å; F300-Y309 HydrophobicContact CE2-CE2 4.18Å; F300-Y309 AromaticContact CE2-CG 3.46Å; F300-Y309 HydrophobicContact CE2-CG 3.46Å; F300-Y309 VanDerWaalsContact CE2-CG 3.46Å; F300-Y309 HydrophobicContact CZ-CD2 4.03Å; F300-Y309 HydrophobicContact CZ-CG 4.28Å; F300-L358 HydrophobicContact CD1-CD2 3.8Å; F300-L358 HydrophobicContact CE1-CD1 4.2Å; F300-L358 HydrophobicContact CE1-CD2 3.83Å; F300-L358 HydrophobicContact CG-CD2 4.39Å; F300-L358 HydrophobicContact CZ-CD2 4.44Å |
| 301 | S | 80.7 | Confident | 85.8 | Confident | 47 Ų | 47 | 42.3 Ų | 42.3 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -78.6 | -7.4 | -176.8 | 89.7 | 0 | 0 | 0 | 0 | 114.5 | R272 | R272-S301 PolarHBondContact NE-OG 3.23Å; R272-S301 PolarHBondContact NH1-OG 2.7Å; R272-S301 PolarHBondContact NH2-OG 3.14Å |
| 302 | V | 84.7 | Confident | 86.1 | Confident | 56 Ų | 56 | 41.7 Ų | 41.7 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -108.6 | 124.7 | -176.6 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | R272 F300 A304 Y305 Q306 | R272-V302 VanDerWaalsContact NH1-CG2 3.34Å; F300-V302 VanDerWaalsContact C-N 3.26Å; F300-V302 PolarHBondContact O-N 2.97Å; V302-A304 VanDerWaalsContact C-N 3.31Å; V302-A304 HydrophobicContact CG1-CB 4.37Å; V302-A304 PolarHBondContact O-N 3.18Å; V302-Y305 HydrophobicContact CB-CD2 3.93Å; V302-Y305 HydrophobicContact CG1-CD2 4.33Å; V302-Y305 HydrophobicContact CG2-CD2 4.35Å; V302-Y305 PolarHBondContact O-N 3.28Å; V302-Q306 PolarHBondContact O-N 3.44Å |
| 303 | R | 85.3 | Confident | 86.3 | Confident | 162 Ų | 162 | 42 Ų | 42 | 61% | 0.611 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -54 | -44.9 | -173.3 | -176 | 62.3 | -164 | -168.1 | 1.8 | 113.3 | Y305 Q306 D307 | R303-Y305 VanDerWaalsContact C-N 3.28Å; R303-Y305 PolarHBondContact O-N 3.48Å; R303-Q306 WeakPolarHBondContact O-CA 3.45Å; R303-Q306 WeakPolarHBondContact O-CB 3.45Å; R303-Q306 PolarHBondContact O-N 3.47Å; R303-D307 WeakPolarHBondContact CG-OD2 3.49Å; R303-D307 IonicContact CZ-OD1 3.4Å; R303-D307 IonicContact NE-OD1 2.94Å; R303-D307 PolarHBondContact NE-OD1 3.32Å; R303-D307 IonicContact NE-OD2 2.65Å; R303-D307 PolarHBondContact NE-OD2 3.5Å; R303-D307 VanDerWaalsContact NE-OD2 3.15Å; R303-D307 IonicContact NH2-OD1 3.94Å; R303-D307 PolarHBondContact NH2-OD1 3.22Å; R303-D307 PolarHBondContact O-N 2.81Å |
| 304 | A | 87.5 | Confident | 86.8 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.9 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V302 I308 L334 | V302-A304 VanDerWaalsContact C-N 3.31Å; V302-A304 HydrophobicContact CG1-CB 4.37Å; V302-A304 PolarHBondContact O-N 3.18Å; A304-I308 WeakPolarHBondContact O-CB 3.44Å; A304-I308 WeakPolarHBondContact O-CD1 3.4Å; A304-I308 WeakPolarHBondContact O-CG1 3.48Å; A304-I308 PolarHBondContact O-N 2.92Å; A304-L334 HydrophobicContact CB-CD2 3.82Å |
| 305 | Y | 89.6 | Confident | 87.2 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.4 | -31.2 | 177.2 | -73.6 | -51.2 | 0 | 0 | 0 | 112.8 | R272 I276 V302 R303 I308 Y309 V337 T341 | R272-Y305 HydrophobicContact CB-CD2 4.02Å; R272-Y305 HydrophobicContact CB-CE2 4.22Å; I276-Y305 HydrophobicContact CD1-CD1 3.44Å; I276-Y305 VanDerWaalsContact CD1-CD1 3.44Å; I276-Y305 HydrophobicContact CD1-CE1 4.39Å; I276-Y305 HydrophobicContact CD1-CG 3.93Å; I276-Y305 WeakPolarHBondContact CD1-O 3.47Å; V302-Y305 HydrophobicContact CB-CD2 3.93Å; V302-Y305 HydrophobicContact CG1-CD2 4.33Å; V302-Y305 HydrophobicContact CG2-CD2 4.35Å; V302-Y305 PolarHBondContact O-N 3.28Å; R303-Y305 VanDerWaalsContact C-N 3.28Å; R303-Y305 PolarHBondContact O-N 3.48Å; Y305-I308 HydrophobicContact CD1-CD1 4.31Å; Y305-Y309 VanDerWaalsContact O-CB 3.22Å; Y305-Y309 WeakPolarHBondContact O-CB 3.39Å; Y305-Y309 PolarHBondContact O-N 3.05Å; Y305-V337 HydrophobicContact CE1-CG1 4.25Å; Y305-T341 HydrophobicContact CE1-CG2 4.09Å; Y305-T341 WeakPolarHBondContact CE1-OG1 3.49Å |
| 306 | Q | 89.7 | Confident | 87.3 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 172.1 | -58.5 | -177.9 | -19.5 | 0 | 0 | 110.8 | A297 F300 V302 R303 Y309 T310 | A297-Q306 WeakPolarHBondContact O-CG 3.26Å; F300-Q306 HydrophobicContact CB-CG 3.95Å; F300-Q306 WeakPolarHBondContact O-CG 3.33Å; F300-Q306 PolarHBondContact O-NE2 3.19Å; V302-Q306 PolarHBondContact O-N 3.44Å; R303-Q306 WeakPolarHBondContact O-CA 3.45Å; R303-Q306 WeakPolarHBondContact O-CB 3.45Å; R303-Q306 PolarHBondContact O-N 3.47Å; Q306-Y309 PolarHBondContact O-N 2.99Å; Q306-T310 WeakPolarHBondContact O-CB 3.4Å; Q306-T310 PolarHBondContact O-N 3.36Å; Q306-T310 PolarHBondContact O-OG1 2.88Å |
| 307 | D | 90.5 | Very high | 87.1 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | -179.2 | -64.5 | -35.7 | 0 | 0 | 0 | 110.6 | R303 Y309 T310 G311 M331 L334 | R303-D307 WeakPolarHBondContact CG-OD2 3.49Å; R303-D307 IonicContact CZ-OD1 3.4Å; R303-D307 IonicContact NE-OD1 2.94Å; R303-D307 PolarHBondContact NE-OD1 3.32Å; R303-D307 IonicContact NE-OD2 2.65Å; R303-D307 PolarHBondContact NE-OD2 3.5Å; R303-D307 VanDerWaalsContact NE-OD2 3.15Å; R303-D307 IonicContact NH2-OD1 3.94Å; R303-D307 PolarHBondContact NH2-OD1 3.22Å; R303-D307 PolarHBondContact O-N 2.81Å; D307-Y309 PolarHBondContact O-N 2.78Å; D307-T310 WeakPolarHBondContact O-CB 3.41Å; D307-T310 PolarHBondContact O-N 3.11Å; D307-G311 PolarHBondContact O-N 2.95Å; D307-M331 WeakPolarHBondContact O-CE 3.47Å; D307-L334 HydrophobicContact CB-CD1 3.88Å |
| 308 | I | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 173.7 | -67.7 | 164.4 | 0 | 0 | 0 | 111 | I276 F280 A304 Y305 T310 G311 I312 L327 L334 V337 I338 | I276-I308 HydrophobicContact CD1-CG2 4.36Å; I276-I308 HydrophobicContact CG2-CG2 3.69Å; F280-I308 HydrophobicContact CE1-CG2 4.45Å; F280-I308 HydrophobicContact CZ-CG2 3.8Å; A304-I308 WeakPolarHBondContact O-CB 3.44Å; A304-I308 WeakPolarHBondContact O-CD1 3.4Å; A304-I308 WeakPolarHBondContact O-CG1 3.48Å; A304-I308 PolarHBondContact O-N 2.92Å; Y305-I308 HydrophobicContact CD1-CD1 4.31Å; I308-T310 VanDerWaalsContact C-N 3.34Å; I308-T310 PolarHBondContact O-N 3.5Å; I308-G311 PolarHBondContact O-N 3.42Å; I308-I312 HydrophobicContact CG2-CD1 4.11Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 2.79Å; I308-L327 HydrophobicContact CG2-CD2 4.48Å; I308-L334 HydrophobicContact CG1-CB 4.44Å; I308-L334 HydrophobicContact CG1-CD1 4Å; I308-V337 HydrophobicContact CD1-CB 4.33Å; I308-V337 HydrophobicContact CD1-CG1 3.88Å; I308-I338 HydrophobicContact CD1-CG1 3.65Å; I308-I338 HydrophobicContact CG1-CD1 4.25Å; I308-I338 HydrophobicContact CG1-CG1 3.72Å; I308-I338 HydrophobicContact CG2-CG1 4.39Å |
| 309 | Y | 91.9 | Very high | 86.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 178.2 | -180 | -104.1 | 0 | 0 | 0 | 112.4 | F279 L292 L295 A297 F300 Y305 Q306 D307 G311 I312 C313 | F279-Y309 HydrophobicContact CD2-CD2 4.27Å; F279-Y309 HydrophobicContact CD2-CE2 4.31Å; F279-Y309 AromaticContact CE2-CD2 3.77Å; F279-Y309 HydrophobicContact CE2-CD2 3.77Å; F279-Y309 AromaticContact CE2-CE2 3.53Å; F279-Y309 HydrophobicContact CE2-CE2 3.53Å; F279-Y309 HydrophobicContact CZ-CE2 4.16Å; L292-Y309 HydrophobicContact CD2-CD2 4.4Å; L292-Y309 HydrophobicContact CD2-CE2 3.45Å; L292-Y309 VanDerWaalsContact CD2-CE2 3.45Å; L295-Y309 WeakPolarHBondContact CB-OH 3.03Å; L295-Y309 HydrophobicContact CD2-CE2 4.23Å; L295-Y309 WeakPolarHBondContact O-CE1 3.49Å; L295-Y309 PolarHBondContact O-OH 3.39Å; A297-Y309 HydrophobicContact CB-CD1 3.82Å; A297-Y309 HydrophobicContact CB-CE1 4.36Å; F300-Y309 HydrophobicContact CD2-CD1 4.36Å; F300-Y309 HydrophobicContact CD2-CG 4.07Å; F300-Y309 AromaticContact CE2-CD1 3.95Å; F300-Y309 HydrophobicContact CE2-CD1 3.95Å; F300-Y309 AromaticContact CE2-CD2 3.59Å; F300-Y309 HydrophobicContact CE2-CD2 3.59Å; F300-Y309 HydrophobicContact CE2-CE1 4.49Å; F300-Y309 HydrophobicContact CE2-CE2 4.18Å; F300-Y309 AromaticContact CE2-CG 3.46Å; F300-Y309 HydrophobicContact CE2-CG 3.46Å; F300-Y309 VanDerWaalsContact CE2-CG 3.46Å; F300-Y309 HydrophobicContact CZ-CD2 4.03Å; F300-Y309 HydrophobicContact CZ-CG 4.28Å; Y305-Y309 VanDerWaalsContact O-CB 3.22Å; Y305-Y309 WeakPolarHBondContact O-CB 3.39Å; Y305-Y309 PolarHBondContact O-N 3.05Å; Q306-Y309 PolarHBondContact O-N 2.99Å; D307-Y309 PolarHBondContact O-N 2.78Å; Y309-G311 VanDerWaalsContact C-N 3.3Å; Y309-G311 PolarHBondContact O-N 3.45Å; Y309-I312 WeakPolarHBondContact O-CB 3.32Å; Y309-I312 PolarHBondContact O-N 3.27Å; Y309-C313 VanDerWaalsContact CE1-SG 3.52Å; Y309-C313 VanDerWaalsContact CZ-SG 3.51Å; Y309-C313 PolarHBondContact O-N 2.77Å; Y309-C313 PolarHBondContact O-SG 2.73Å; Y309-C313 VanDerWaalsContact O-SG 3.41Å |
| 310 | T | 90.4 | Very high | 86.1 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | Q306 D307 I308 C313 R314 | Q306-T310 WeakPolarHBondContact O-CB 3.4Å; Q306-T310 PolarHBondContact O-N 3.36Å; Q306-T310 PolarHBondContact O-OG1 2.88Å; D307-T310 WeakPolarHBondContact O-CB 3.41Å; D307-T310 PolarHBondContact O-N 3.11Å; I308-T310 VanDerWaalsContact C-N 3.34Å; I308-T310 PolarHBondContact O-N 3.5Å; T310-C313 PolarHBondContact O-N 3.18Å; T310-R314 PolarHBondContact O-N 3.03Å |
| 311 | G | 90.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | D307 I308 Y309 C313 R314 Q315 | D307-G311 PolarHBondContact O-N 2.95Å; I308-G311 PolarHBondContact O-N 3.42Å; Y309-G311 VanDerWaalsContact C-N 3.3Å; Y309-G311 PolarHBondContact O-N 3.45Å; G311-C313 PolarHBondContact O-N 2.93Å; G311-R314 WeakPolarHBondContact O-CB 3.47Å; G311-R314 PolarHBondContact O-N 3.38Å; G311-R314 VanDerWaalsContact O-N 3.14Å; G311-Q315 PolarHBondContact O-N 3.01Å |
| 312 | I | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 174.7 | -68 | 168.2 | 0 | 0 | 0 | 111 | I276 F279 F280 L292 I308 Y309 R314 Q315 A316 I322 L327 | I276-I312 HydrophobicContact CG2-CD1 3.99Å; F279-I312 HydrophobicContact CB-CD1 4.27Å; F279-I312 HydrophobicContact CB-CG2 4.41Å; F279-I312 HydrophobicContact CD2-CD1 4.19Å; F280-I312 HydrophobicContact CD1-CD1 4.14Å; F280-I312 HydrophobicContact CE1-CD1 3.47Å; F280-I312 VanDerWaalsContact CE1-CD1 3.47Å; F280-I312 HydrophobicContact CE1-CG1 3.79Å; F280-I312 HydrophobicContact CZ-CD1 4.13Å; L292-I312 HydrophobicContact CD1-CG2 4.21Å; L292-I312 HydrophobicContact CD2-CG2 4.11Å; I308-I312 HydrophobicContact CG2-CD1 4.11Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 2.79Å; Y309-I312 WeakPolarHBondContact O-CB 3.32Å; Y309-I312 PolarHBondContact O-N 3.27Å; I312-R314 VanDerWaalsContact C-N 3.25Å; I312-R314 PolarHBondContact O-N 3.47Å; I312-Q315 PolarHBondContact O-N 2.71Å; I312-A316 WeakPolarHBondContact O-CB 3.38Å; I312-A316 PolarHBondContact O-N 2.81Å; I312-I322 HydrophobicContact CG1-CG2 4.22Å; I312-I322 HydrophobicContact CG2-CD1 3.78Å; I312-I322 HydrophobicContact CG2-CG1 4.03Å; I312-I322 HydrophobicContact CG2-CG2 3.85Å; I312-L327 HydrophobicContact CG1-CD1 3.6Å |
| 313 | C | 88.3 | Confident | 86.7 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 112 | Y309 T310 G311 R317 | Y309-C313 VanDerWaalsContact CE1-SG 3.52Å; Y309-C313 VanDerWaalsContact CZ-SG 3.51Å; Y309-C313 PolarHBondContact O-N 2.77Å; Y309-C313 PolarHBondContact O-SG 2.73Å; Y309-C313 VanDerWaalsContact O-SG 3.41Å; T310-C313 PolarHBondContact O-N 3.18Å; G311-C313 PolarHBondContact O-N 2.93Å; C313-R317 WeakPolarHBondContact O-CB 3.41Å; C313-R317 VanDerWaalsContact O-CG 3.26Å; C313-R317 WeakPolarHBondContact O-CG 3.41Å; C313-R317 PolarHBondContact O-N 3.32Å; C313-R317 VanDerWaalsContact O-N 3.08Å |
| 314 | R | 85.7 | Confident | 86.8 | Confident | 146 Ų | 146 | 48 Ų | 48 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.3 | -49.4 | 177.1 | -167.2 | -179.1 | 95.6 | 166.9 | 7.2 | 111.5 | T310 G311 I312 A316 R317 V318 E330 | T310-R314 PolarHBondContact O-N 3.03Å; G311-R314 WeakPolarHBondContact O-CB 3.47Å; G311-R314 PolarHBondContact O-N 3.38Å; G311-R314 VanDerWaalsContact O-N 3.14Å; I312-R314 VanDerWaalsContact C-N 3.25Å; I312-R314 PolarHBondContact O-N 3.47Å; R314-A316 PolarHBondContact O-N 2.95Å; R314-R317 PolarHBondContact O-N 3.24Å; R314-V318 HydrophobicContact CG-CG2 4.31Å; R314-V318 WeakPolarHBondContact O-CB 3.22Å; R314-V318 WeakPolarHBondContact O-CG2 3.39Å; R314-V318 PolarHBondContact O-N 2.93Å; R314-E330 IonicContact CZ-OE1 3.78Å; R314-E330 IonicContact NE-OE1 2.81Å; R314-E330 IonicContact NH2-OE1 2.73Å; R314-E330 PolarHBondContact NH2-OE1 3.18Å |
| 315 | Q | 88.1 | Confident | 87 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 178.4 | -70.2 | -171.4 | -4.7 | 0 | 0 | 111.5 | G311 I312 R317 V318 S319 G320 V321 D323 L326 L327 E330 | G311-Q315 PolarHBondContact O-N 3.01Å; I312-Q315 PolarHBondContact O-N 2.71Å; Q315-R317 PolarHBondContact O-N 3.03Å; Q315-V318 PolarHBondContact O-N 3.47Å; Q315-S319 PolarHBondContact O-N 3.01Å; Q315-S319 PolarHBondContact O-OG 2.73Å; Q315-G320 PolarHBondContact O-N 3.4Å; Q315-V321 CarbonylContact C-O 3.59Å; Q315-V321 VanDerWaalsContact CB-O 3.28Å; Q315-V321 WeakPolarHBondContact CB-O 3.13Å; Q315-D323 PolarHBondContact OE1-O 3.18Å; Q315-L326 VanDerWaalsContact NE2-CB 3.33Å; Q315-L327 VanDerWaalsContact NE2-N 3.12Å; Q315-E330 PolarHBondContact NE2-OE2 3.42Å |
| 316 | A | 86.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M289 L292 I312 R314 G320 V321 I322 | M289-A316 HydrophobicContact SD-CB 3.92Å; L292-A316 HydrophobicContact CD1-CB 3.55Å; I312-A316 WeakPolarHBondContact O-CB 3.38Å; I312-A316 PolarHBondContact O-N 2.81Å; R314-A316 PolarHBondContact O-N 2.95Å; A316-G320 WeakPolarHBondContact O-CA 3.36Å; A316-G320 PolarHBondContact O-N 3.2Å; A316-V321 PolarHBondContact N-O 2.93Å; A316-I322 HydrophobicContact CB-CD1 4.29Å; A316-I322 HydrophobicContact CB-CG1 4.02Å |
| 317 | R | 78.1 | Confident | 86.9 | Confident | 195 Ų | 195 | 51.4 Ų | 51.4 | 74% | 0.736 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.9 | -42.1 | 178.7 | -75.1 | 177.3 | -174.3 | -176 | 2.4 | 113.7 | C313 R314 Q315 | C313-R317 WeakPolarHBondContact O-CB 3.41Å; C313-R317 VanDerWaalsContact O-CG 3.26Å; C313-R317 WeakPolarHBondContact O-CG 3.41Å; C313-R317 PolarHBondContact O-N 3.32Å; C313-R317 VanDerWaalsContact O-N 3.08Å; R314-R317 PolarHBondContact O-N 3.24Å; Q315-R317 PolarHBondContact O-N 3.03Å |
| 318 | V | 78.5 | Confident | 87 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 74% | 0.739 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -83 | -42.4 | -172.7 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | R314 Q315 | R314-V318 HydrophobicContact CG-CG2 4.31Å; R314-V318 WeakPolarHBondContact O-CB 3.22Å; R314-V318 WeakPolarHBondContact O-CG2 3.39Å; R314-V318 PolarHBondContact O-N 2.93Å; Q315-V318 PolarHBondContact O-N 3.47Å |
| 319 | S | 77.7 | Confident | 86.9 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -116.8 | -9.5 | -168 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | Q315 V321 | Q315-S319 PolarHBondContact O-N 3.01Å; Q315-S319 PolarHBondContact O-OG 2.73Å; S319-V321 PolarHBondContact O-N 3.49Å; S319-V321 WeakPolarHBondContact OG-CG2 3.38Å |
| 320 | G | 78 | Confident | 86.7 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 66 | 13.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A284 Q315 A316 | A284-G320 VanDerWaalsContact CB-O 3.24Å; A284-G320 WeakPolarHBondContact CB-O 3.19Å; Q315-G320 PolarHBondContact O-N 3.4Å; A316-G320 WeakPolarHBondContact O-CA 3.36Å; A316-G320 PolarHBondContact O-N 3.2Å |
| 321 | V | 85.2 | Confident | 86.6 | Confident | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | trans | -126.2 | 153.9 | 177.2 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | Q315 A316 S319 | Q315-V321 CarbonylContact C-O 3.59Å; Q315-V321 VanDerWaalsContact CB-O 3.28Å; Q315-V321 WeakPolarHBondContact CB-O 3.13Å; A316-V321 PolarHBondContact N-O 2.93Å; S319-V321 PolarHBondContact O-N 3.49Å; S319-V321 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 322 | I | 89 | Confident | 86.6 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | trans | -125.5 | 111.1 | 172.4 | -60.1 | 171.7 | 0 | 0 | 0 | 105.9 | F280 A284 V288 L292 I312 A316 | F280-I322 HydrophobicContact CD1-CG2 4.12Å; A284-I322 HydrophobicContact CB-CD1 4.45Å; A284-I322 HydrophobicContact CB-CG1 4.42Å; V288-I322 HydrophobicContact CG1-CD1 3.8Å; L292-I322 HydrophobicContact CD1-CD1 3.94Å; I312-I322 HydrophobicContact CG1-CG2 4.22Å; I312-I322 HydrophobicContact CG2-CD1 3.78Å; I312-I322 HydrophobicContact CG2-CG1 4.03Å; I312-I322 HydrophobicContact CG2-CG2 3.85Å; A316-I322 HydrophobicContact CB-CD1 4.29Å; A316-I322 HydrophobicContact CB-CG1 4.02Å | ||
| 323 | D | 88.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | trans | -130.9 | 116.4 | -176.5 | -174.5 | -24 | 0 | 0 | 0 | 110.7 | Q315 V325 L326 L327 | Q315-D323 PolarHBondContact OE1-O 3.18Å; D323-V325 PolarHBondContact O-N 2.97Å; D323-V325 WeakPolarHBondContact OD1-CA 3.46Å; D323-V325 WeakPolarHBondContact OD1-CB 3.48Å; D323-V325 PolarHBondContact OD1-N 3.23Å; D323-L326 HydrophobicContact CB-CB 4.04Å; D323-L326 HydrophobicContact CB-CD1 3.85Å; D323-L326 HydrophobicContact CB-CG 3.87Å; D323-L326 PolarHBondContact O-N 3.38Å; D323-L327 PolarHBondContact O-N 2.94Å | ||
| 324 | P | 88.8 | Confident | 86.6 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 26% | 0.26 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -27.5 | 179.4 | 25.4 | -33.6 | 0 | 0 | 0 | 113.5 | F280 C328 I338 | F280-P324 HydrophobicContact CB-CG 4.32Å; F280-P324 HydrophobicContact CD1-CB 4.13Å; F280-P324 HydrophobicContact CD2-CB 4.12Å; F280-P324 HydrophobicContact CE1-CB 4.34Å; F280-P324 HydrophobicContact CE2-CB 4.31Å; F280-P324 HydrophobicContact CG-CB 4.03Å; F280-P324 HydrophobicContact CG-CG 4.34Å; F280-P324 HydrophobicContact CZ-CB 4.42Å; P324-C328 PolarHBondContact O-N 3.47Å; P324-C328 PolarHBondContact O-SG 3.45Å; P324-I338 HydrophobicContact CB-CG2 3.96Å |
| 325 | V | 89.8 | Confident | 86.7 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -71.7 | -44.3 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | D323 L327 C328 N329 | D323-V325 PolarHBondContact O-N 2.97Å; D323-V325 WeakPolarHBondContact OD1-CA 3.46Å; D323-V325 WeakPolarHBondContact OD1-CB 3.48Å; D323-V325 PolarHBondContact OD1-N 3.23Å; V325-L327 VanDerWaalsContact C-N 3.28Å; V325-L327 PolarHBondContact O-N 2.98Å; V325-C328 PolarHBondContact O-N 2.94Å; V325-N329 PolarHBondContact O-N 3.29Å; V325-N329 VanDerWaalsContact O-N 3.11Å |
| 326 | L | 88.9 | Confident | 86.6 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 173.8 | -67.1 | 179.8 | 0 | 0 | 0 | 110.9 | Q315 D323 C328 N329 E330 | Q315-L326 VanDerWaalsContact NE2-CB 3.33Å; D323-L326 HydrophobicContact CB-CB 4.04Å; D323-L326 HydrophobicContact CB-CD1 3.85Å; D323-L326 HydrophobicContact CB-CG 3.87Å; D323-L326 PolarHBondContact O-N 3.38Å; L326-C328 PolarHBondContact O-N 3.49Å; L326-N329 WeakPolarHBondContact O-CB 3.43Å; L326-N329 PolarHBondContact O-N 2.85Å; L326-E330 WeakPolarHBondContact O-CG 3.11Å; L326-E330 PolarHBondContact O-N 3.36Å |
| 327 | L | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 175.3 | -100.4 | 140.4 | 0 | 0 | 0 | 112.7 | F280 I308 I312 Q315 D323 V325 N329 E330 M331 I338 | F280-L327 HydrophobicContact CE1-CD1 3.8Å; I308-L327 HydrophobicContact CG2-CD2 4.48Å; I312-L327 HydrophobicContact CG1-CD1 3.6Å; Q315-L327 VanDerWaalsContact NE2-N 3.12Å; D323-L327 PolarHBondContact O-N 2.94Å; V325-L327 VanDerWaalsContact C-N 3.28Å; V325-L327 PolarHBondContact O-N 2.98Å; L327-N329 VanDerWaalsContact C-N 3.3Å; L327-N329 PolarHBondContact O-N 2.96Å; L327-E330 PolarHBondContact O-N 3.25Å; L327-M331 HydrophobicContact CD2-CE 4.39Å; L327-M331 HydrophobicContact CD2-SD 4.44Å; L327-M331 PolarHBondContact O-N 3.5Å; L327-I338 HydrophobicContact CB-CD1 4.24Å |
| 328 | C | 91.2 | Very high | 87 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 174.3 | -70 | 0 | 0 | 0 | 0 | 112.2 | P324 V325 L326 M331 P332 A335 I338 | P324-C328 PolarHBondContact O-N 3.47Å; P324-C328 PolarHBondContact O-SG 3.45Å; V325-C328 PolarHBondContact O-N 2.94Å; L326-C328 PolarHBondContact O-N 3.49Å; C328-M331 CarbonylContact O-C 3.52Å; C328-P332 WeakPolarHBondContact O-CA 3.28Å; C328-A335 HydrophobicContact CB-CB 4.05Å; C328-I338 VanDerWaalsContact SG-CG2 3.54Å |
| 329 | N | 89.3 | Confident | 87.3 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -71.2 | -35.6 | 175.1 | -69.4 | -22.9 | 0 | 0 | 0 | 112.1 | V325 L326 L327 | V325-N329 PolarHBondContact O-N 3.29Å; V325-N329 VanDerWaalsContact O-N 3.11Å; L326-N329 WeakPolarHBondContact O-CB 3.43Å; L326-N329 PolarHBondContact O-N 2.85Å; L327-N329 VanDerWaalsContact C-N 3.3Å; L327-N329 PolarHBondContact O-N 2.96Å |
| 330 | E | 86.8 | Confident | 87.5 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.6 | -29 | 176.2 | -71.1 | -179.7 | 145.3 | 0 | 0 | 112.8 | R314 Q315 L326 L327 | R314-E330 IonicContact CZ-OE1 3.78Å; R314-E330 IonicContact NE-OE1 2.81Å; R314-E330 IonicContact NH2-OE1 2.73Å; R314-E330 PolarHBondContact NH2-OE1 3.18Å; Q315-E330 PolarHBondContact NE2-OE2 3.42Å; L326-E330 WeakPolarHBondContact O-CG 3.11Å; L326-E330 PolarHBondContact O-N 3.36Å; L327-E330 PolarHBondContact O-N 3.25Å |
| 331 | M | 89.7 | Confident | 87.7 | Confident | 40 Ų | 40 | 56 Ų | 56 | 20% | 0.197 | 32% | 0.317 | C | S | . | . | trans | -136.7 | 74.2 | -176.1 | -56.7 | -179.8 | -166.7 | 0 | 0 | 111.8 | D307 L327 C328 E333 L334 A335 | D307-M331 WeakPolarHBondContact O-CE 3.47Å; L327-M331 HydrophobicContact CD2-CE 4.39Å; L327-M331 HydrophobicContact CD2-SD 4.44Å; L327-M331 PolarHBondContact O-N 3.5Å; C328-M331 CarbonylContact O-C 3.52Å; M331-E333 VanDerWaalsContact C-N 3.33Å; M331-E333 PolarHBondContact O-N 3.27Å; M331-L334 HydrophobicContact CB-CB 4.31Å; M331-L334 PolarHBondContact O-N 3.28Å; M331-L334 HydrophobicContact SD-CD1 4.14Å; M331-A335 PolarHBondContact O-N 2.97Å | ||
| 332 | P | 89 | Confident | 87.3 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -59.2 | -40 | -173.4 | -23.3 | 33.7 | 0 | 0 | 0 | 113.4 | C328 L334 A335 | C328-P332 WeakPolarHBondContact O-CA 3.28Å; P332-L334 PolarHBondContact O-N 3.27Å; P332-A335 VanDerWaalsContact O-CB 3.24Å; P332-A335 WeakPolarHBondContact O-CB 3.49Å; P332-A335 PolarHBondContact O-N 2.85Å; P332-A335 VanDerWaalsContact O-N 3.1Å |
| 333 | E | 90 | Very high | 86.4 | Confident | 158 Ų | 158 | 62.5 Ų | 62.5 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -58 | -27.7 | 176 | 28.8 | -82.3 | -178.9 | 0 | 0 | 114.1 | M331 | M331-E333 VanDerWaalsContact C-N 3.33Å; M331-E333 PolarHBondContact O-N 3.27Å |
| 334 | L | 90.1 | Very high | 85.2 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -98.4 | -0.5 | 179.5 | -61.8 | -179.4 | 0 | 0 | 0 | 113.1 | A304 D307 I308 M331 P332 P336 V337 I338 | A304-L334 HydrophobicContact CB-CD2 3.82Å; D307-L334 HydrophobicContact CB-CD1 3.88Å; I308-L334 HydrophobicContact CG1-CB 4.44Å; I308-L334 HydrophobicContact CG1-CD1 4Å; M331-L334 HydrophobicContact CB-CB 4.31Å; M331-L334 PolarHBondContact O-N 3.28Å; M331-L334 HydrophobicContact SD-CD1 4.14Å; P332-L334 PolarHBondContact O-N 3.27Å; L334-P336 VanDerWaalsContact C-CD 3.47Å; L334-V337 WeakPolarHBondContact O-CA 3.04Å; L334-V337 WeakPolarHBondContact O-CB 3.37Å; L334-V337 PolarHBondContact O-N 3.14Å; L334-I338 HydrophobicContact CB-CD1 4.05Å; L334-I338 HydrophobicContact CB-CG1 4.39Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 2.84Å |
| 335 | A | 86.7 | Confident | 83.7 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.8 | -41 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C328 M331 P332 V337 I338 T339 | C328-A335 HydrophobicContact CB-CB 4.05Å; M331-A335 PolarHBondContact O-N 2.97Å; P332-A335 VanDerWaalsContact O-CB 3.24Å; P332-A335 WeakPolarHBondContact O-CB 3.49Å; P332-A335 PolarHBondContact O-N 2.85Å; P332-A335 VanDerWaalsContact O-N 3.1Å; A335-V337 VanDerWaalsContact C-N 3.32Å; A335-V337 PolarHBondContact O-N 2.88Å; A335-I338 PolarHBondContact O-N 3.14Å; A335-T339 VanDerWaalsContact O-CB 3.32Å; A335-T339 WeakPolarHBondContact O-CB 3.22Å; A335-T339 PolarHBondContact O-N 3.39Å; A335-T339 PolarHBondContact O-OG1 3.31Å |
| 336 | P | 86.4 | Confident | 82.1 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.3 | -38.9 | 174.8 | -22.7 | 34.2 | 0 | 0 | 0 | 112.8 | L334 D340 | L334-P336 VanDerWaalsContact C-CD 3.47Å; P336-D340 VanDerWaalsContact O-CB 3.29Å; P336-D340 WeakPolarHBondContact O-CB 3.39Å; P336-D340 PolarHBondContact O-N 3.31Å |
| 337 | V | 86.1 | Confident | 80.5 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.2 | -43.2 | -180 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | Y305 I308 L334 A335 D340 T341 | Y305-V337 HydrophobicContact CE1-CG1 4.25Å; I308-V337 HydrophobicContact CD1-CB 4.33Å; I308-V337 HydrophobicContact CD1-CG1 3.88Å; L334-V337 WeakPolarHBondContact O-CA 3.04Å; L334-V337 WeakPolarHBondContact O-CB 3.37Å; L334-V337 PolarHBondContact O-N 3.14Å; A335-V337 VanDerWaalsContact C-N 3.32Å; A335-V337 PolarHBondContact O-N 2.88Å; V337-D340 PolarHBondContact O-N 2.94Å; V337-T341 VanDerWaalsContact O-CB 3.24Å; V337-T341 WeakPolarHBondContact O-CB 3.29Å; V337-T341 PolarHBondContact O-N 3.33Å; V337-T341 PolarHBondContact O-OG1 3.08Å |
| 338 | I | 86.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 176.5 | -66.1 | 162 | 0 | 0 | 0 | 109.8 | F280 I308 P324 L327 C328 L334 A335 D340 T341 G342 | F280-I338 HydrophobicContact CE2-CG2 3.96Å; F280-I338 HydrophobicContact CZ-CG2 3.91Å; I308-I338 HydrophobicContact CD1-CG1 3.65Å; I308-I338 HydrophobicContact CG1-CD1 4.25Å; I308-I338 HydrophobicContact CG1-CG1 3.72Å; I308-I338 HydrophobicContact CG2-CG1 4.39Å; P324-I338 HydrophobicContact CB-CG2 3.96Å; L327-I338 HydrophobicContact CB-CD1 4.24Å; C328-I338 VanDerWaalsContact SG-CG2 3.54Å; L334-I338 HydrophobicContact CB-CD1 4.05Å; L334-I338 HydrophobicContact CB-CG1 4.39Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 2.84Å; A335-I338 PolarHBondContact O-N 3.14Å; I338-D340 PolarHBondContact O-N 2.79Å; I338-T341 PolarHBondContact O-N 3.39Å; I338-G342 PolarHBondContact O-N 2.89Å |
| 339 | T | 84.8 | Confident | 77.1 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | -180 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | A335 G342 R343 | A335-T339 VanDerWaalsContact O-CB 3.32Å; A335-T339 WeakPolarHBondContact O-CB 3.22Å; A335-T339 PolarHBondContact O-N 3.39Å; A335-T339 PolarHBondContact O-OG1 3.31Å; T339-G342 PolarHBondContact O-N 3.3Å; T339-R343 PolarHBondContact O-N 3.05Å |
| 340 | D | 81.2 | Confident | 76.1 | Confident | 66 Ų | 66 | 76.6 Ų | 76.6 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.1 | 175.1 | 63.5 | 0 | 0 | 0 | 112 | P336 V337 I338 G342 R343 K344 | P336-D340 VanDerWaalsContact O-CB 3.29Å; P336-D340 WeakPolarHBondContact O-CB 3.39Å; P336-D340 PolarHBondContact O-N 3.31Å; V337-D340 PolarHBondContact O-N 2.94Å; I338-D340 PolarHBondContact O-N 2.79Å; D340-G342 VanDerWaalsContact C-N 3.35Å; D340-G342 PolarHBondContact O-N 3.16Å; D340-R343 PolarHBondContact O-N 3.14Å; D340-R343 VanDerWaalsContact O-N 3.17Å; D340-K344 WeakPolarHBondContact O-CG 3.37Å; D340-K344 PolarHBondContact O-N 3.11Å; D340-K344 IonicContact OD1-NZ 2.6Å; D340-K344 WeakPolarHBondContact OD2-CE 3.45Å; D340-K344 IonicContact OD2-NZ 3.15Å; D340-K344 PolarHBondContact OD2-NZ 3.11Å |
| 341 | T | 82.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.7 | G273 I276 F280 Y305 V337 I338 R343 K344 | G273-T341 VanDerWaalsContact O-CG2 3.25Å; G273-T341 WeakPolarHBondContact O-CG2 3.46Å; I276-T341 HydrophobicContact CB-CG2 4.01Å; I276-T341 HydrophobicContact CG2-CG2 3.68Å; F280-T341 HydrophobicContact CE2-CG2 4.35Å; Y305-T341 HydrophobicContact CE1-CG2 4.09Å; Y305-T341 WeakPolarHBondContact CE1-OG1 3.49Å; V337-T341 VanDerWaalsContact O-CB 3.24Å; V337-T341 WeakPolarHBondContact O-CB 3.29Å; V337-T341 PolarHBondContact O-N 3.33Å; V337-T341 PolarHBondContact O-OG1 3.08Å; I338-T341 PolarHBondContact O-N 3.39Å; T341-R343 PolarHBondContact O-N 3.34Å; T341-K344 PolarHBondContact O-N 2.93Å; T341-K344 VanDerWaalsContact O-N 3.1Å |
| 342 | G | 76.3 | Confident | 74.9 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.8 | -33.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I338 T339 D340 T345 | I338-G342 PolarHBondContact O-N 2.89Å; T339-G342 PolarHBondContact O-N 3.3Å; D340-G342 VanDerWaalsContact C-N 3.35Å; D340-G342 PolarHBondContact O-N 3.16Å; G342-T345 WeakPolarHBondContact O-CG2 3.29Å; G342-T345 PolarHBondContact O-OG1 3.03Å |
| 343 | R | 70.8 | Confident | 74 | Confident | 195 Ų | 195 | 80.1 Ų | 80.1 | 74% | 0.736 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -76.3 | -20.2 | 176.5 | -63.1 | -179.3 | -164.3 | -161.5 | 4 | 113.7 | T339 D340 T341 T345 | T339-R343 PolarHBondContact O-N 3.05Å; D340-R343 PolarHBondContact O-N 3.14Å; D340-R343 VanDerWaalsContact O-N 3.17Å; T341-R343 PolarHBondContact O-N 3.34Å; R343-T345 PolarHBondContact O-N 2.77Å |
| 344 | K | 64.5 | Low | 73.4 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 20.5 | -177.3 | -70.8 | 171.3 | 175.9 | 169 | 0 | 113.4 | D340 T341 W346 | D340-K344 WeakPolarHBondContact O-CG 3.37Å; D340-K344 PolarHBondContact O-N 3.11Å; D340-K344 IonicContact OD1-NZ 2.6Å; D340-K344 WeakPolarHBondContact OD2-CE 3.45Å; D340-K344 IonicContact OD2-NZ 3.15Å; D340-K344 PolarHBondContact OD2-NZ 3.11Å; T341-K344 PolarHBondContact O-N 2.93Å; T341-K344 VanDerWaalsContact O-N 3.1Å; K344-W346 PolarHBondContact O-N 3.17Å |
| 345 | T | 57.5 | Low | 73 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | trans | -83 | 73 | -172.6 | 34.1 | 0 | 0 | 0 | 0 | 113.3 | G277 L281 G342 R343 | G277-T345 WeakPolarHBondContact O-CG2 3.39Å; L281-T345 HydrophobicContact CB-CG2 4.24Å; G342-T345 WeakPolarHBondContact O-CG2 3.29Å; G342-T345 PolarHBondContact O-OG1 3.03Å; R343-T345 PolarHBondContact O-N 2.77Å | ||
| 346 | W | 55.5 | Low | 72.4 | Confident | 231 Ų | 231 | 76.6 Ų | 76.6 | 88% | 0.875 | 39% | 0.389 | S | S | * | . | trans | -89.4 | -3.7 | 177.8 | -51.1 | 89.6 | 0 | 0 | 0 | 113.8 | K344 | K344-W346 PolarHBondContact O-N 3.17Š| ||
| 347 | V | 54.8 | Low | 71.7 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | trans | -112.7 | 91.9 | -166.7 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | A274 Y354 | A274-V347 HydrophobicContact CB-CG2 4.31Å; V347-Y354 HydrophobicContact CB-CD2 4.39Å; V347-Y354 HydrophobicContact CB-CE2 4.13Å; V347-Y354 HydrophobicContact CG1-CD2 3.49Å; V347-Y354 VanDerWaalsContact CG1-CD2 3.49Å; V347-Y354 HydrophobicContact CG1-CE2 3.34Å; V347-Y354 HydrophobicContact CG2-CD2 4.07Å; V347-Y354 HydrophobicContact CG2-CE2 3.59Å | ||
| 348 | K | 54.2 | Low | 71.4 | Confident | 164 Ų | 164 | 70.7 Ų | 70.7 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -89.5 | -29.5 | 166.5 | -84.8 | -171.9 | 175.6 | -177.4 | 0 | 113.4 | L281 | L281-K348 HydrophobicContact CD2-CD 4.41Å; L281-K348 HydrophobicContact CD2-CG 3.7Å |
| 349 | S | 55.9 | Low | 71.1 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 79% | 0.79 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -112.6 | 5.8 | -160.3 | 50.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 350 | S | 68 | Low | 70.6 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | trans | -152.2 | 38.7 | -176.8 | -58 | 0 | 0 | 0 | 0 | 115.6 | E352 H353 Y354 | S350-E352 VanDerWaalsContact C-N 3.34Å; S350-E352 PolarHBondContact O-N 2.98Å; S350-H353 WeakPolarHBondContact O-CB 3.37Å; S350-H353 PolarHBondContact O-N 3.34Å; S350-Y354 VanDerWaalsContact O-CD2 3.25Å; S350-Y354 WeakPolarHBondContact O-CD2 3.33Å; S350-Y354 PolarHBondContact O-N 3.04Å | ||
| 351 | L | 78.3 | Confident | 70.4 | Confident | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -52 | -47.9 | -177.1 | 179.1 | 59.9 | 0 | 0 | 0 | 112.9 | V275 A278 F279 V288 I291 H353 Y354 V355 | V275-L351 HydrophobicContact CG1-CD1 4.21Å; A278-L351 HydrophobicContact CB-CD1 3.78Å; F279-L351 HydrophobicContact CD1-CD2 4.29Å; F279-L351 HydrophobicContact CE1-CD1 4.1Å; F279-L351 HydrophobicContact CE1-CD2 4.02Å; V288-L351 HydrophobicContact CG2-CD2 3.8Å; I291-L351 HydrophobicContact CD1-CD2 3.59Å; I291-L351 HydrophobicContact CD1-CG 3.71Å; L351-H353 VanDerWaalsContact C-N 3.26Å; L351-H353 PolarHBondContact O-N 2.84Å; L351-Y354 PolarHBondContact O-N 3.02Å; L351-V355 HydrophobicContact CD1-CG2 4.1Å; L351-V355 HydrophobicContact CG-CG2 4.31Å; L351-V355 WeakPolarHBondContact O-CG2 3.46Å; L351-V355 PolarHBondContact O-N 2.94Å |
| 352 | E | 74.3 | Confident | 70.2 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -54.6 | -39.2 | 176.3 | -69.2 | -169.3 | 155.4 | 0 | 0 | 113.5 | S350 V355 A356 | S350-E352 VanDerWaalsContact C-N 3.34Å; S350-E352 PolarHBondContact O-N 2.98Å; E352-V355 PolarHBondContact O-N 3.39Å; E352-A356 WeakPolarHBondContact O-CB 3.38Å; E352-A356 PolarHBondContact O-N 3.39Å |
| 353 | H | 70.4 | Confident | 70 | Confident | 130 Ų | 130 | 79.2 Ų | 79.2 | 60% | 0.602 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | -179.1 | -168.6 | 86.6 | 0 | 0 | 0 | 111.5 | S350 L351 A356 A357 | S350-H353 WeakPolarHBondContact O-CB 3.37Å; S350-H353 PolarHBondContact O-N 3.34Å; L351-H353 VanDerWaalsContact C-N 3.26Å; L351-H353 PolarHBondContact O-N 2.84Å; H353-A356 PolarHBondContact O-N 2.7Å; H353-A357 PolarHBondContact O-N 2.92Å |
| 354 | Y | 75.8 | Confident | 70.3 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.9 | -37.6 | 177 | -71.3 | -80.3 | 0 | 0 | 0 | 112 | I271 V347 S350 L351 A356 A357 L358 | I271-Y354 HydrophobicContact CG2-CD1 4.29Å; V347-Y354 HydrophobicContact CB-CD2 4.39Å; V347-Y354 HydrophobicContact CB-CE2 4.13Å; V347-Y354 HydrophobicContact CG1-CD2 3.49Å; V347-Y354 VanDerWaalsContact CG1-CD2 3.49Å; V347-Y354 HydrophobicContact CG1-CE2 3.34Å; V347-Y354 HydrophobicContact CG2-CD2 4.07Å; V347-Y354 HydrophobicContact CG2-CE2 3.59Å; S350-Y354 VanDerWaalsContact O-CD2 3.25Å; S350-Y354 WeakPolarHBondContact O-CD2 3.33Å; S350-Y354 PolarHBondContact O-N 3.04Å; L351-Y354 PolarHBondContact O-N 3.02Å; Y354-A356 VanDerWaalsContact C-N 3.34Å; Y354-A357 PolarHBondContact O-N 2.98Å; Y354-L358 WeakPolarHBondContact O-CB 3.43Å; Y354-L358 PolarHBondContact O-N 3.14Å |
| 355 | V | 81.4 | Confident | 71 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 173 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | V275 I291 L295 L351 E352 A357 L358 R359 | V275-V355 HydrophobicContact CG1-CG2 4.03Å; V275-V355 HydrophobicContact CG2-CG2 4.45Å; I291-V355 HydrophobicContact CD1-CG2 4.15Å; I291-V355 HydrophobicContact CG2-CG1 4.06Å; I291-V355 HydrophobicContact CG2-CG2 3.85Å; L295-V355 HydrophobicContact CD1-CG1 4.05Å; L295-V355 HydrophobicContact CD2-CG1 4.27Å; L351-V355 HydrophobicContact CD1-CG2 4.1Å; L351-V355 HydrophobicContact CG-CG2 4.31Å; L351-V355 WeakPolarHBondContact O-CG2 3.46Å; L351-V355 PolarHBondContact O-N 2.94Å; E352-V355 PolarHBondContact O-N 3.39Å; V355-A357 VanDerWaalsContact C-N 3.34Å; V355-A357 PolarHBondContact O-N 3.41Å; V355-L358 PolarHBondContact O-N 3.45Å; V355-R359 WeakPolarHBondContact O-CG 3.5Å; V355-R359 PolarHBondContact O-N 2.91Å |
| 356 | A | 74.1 | Confident | 71.9 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E352 H353 Y354 R360 | E352-A356 WeakPolarHBondContact O-CB 3.38Å; E352-A356 PolarHBondContact O-N 3.39Å; H353-A356 PolarHBondContact O-N 2.7Å; Y354-A356 VanDerWaalsContact C-N 3.34Å; A356-R360 WeakPolarHBondContact O-CB 3.22Å; A356-R360 PolarHBondContact O-N 3.1Å |
| 357 | A | 73.5 | Confident | 72.9 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H353 Y354 V355 R360 N361 | H353-A357 PolarHBondContact O-N 2.92Å; Y354-A357 PolarHBondContact O-N 2.98Å; V355-A357 VanDerWaalsContact C-N 3.34Å; V355-A357 PolarHBondContact O-N 3.41Å; A357-R360 PolarHBondContact O-N 3.3Å; A357-N361 WeakPolarHBondContact O-CB 3.42Å; A357-N361 VanDerWaalsContact O-CG 3.25Å; A357-N361 PolarHBondContact O-N 2.85Å; A357-N361 PolarHBondContact O-ND2 3.04Å |
| 358 | L | 79.8 | Confident | 74.2 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 174.5 | -107.9 | 138.2 | 0 | 0 | 0 | 111.7 | V275 V299 F300 Y354 V355 R360 N361 A362 | V275-L358 HydrophobicContact CB-CD1 3.68Å; V275-L358 HydrophobicContact CG1-CD1 4.27Å; V275-L358 HydrophobicContact CG2-CD1 3.25Å; V299-L358 HydrophobicContact CG2-CD2 4.25Å; F300-L358 HydrophobicContact CD1-CD2 3.8Å; F300-L358 HydrophobicContact CE1-CD1 4.2Å; F300-L358 HydrophobicContact CE1-CD2 3.83Å; F300-L358 HydrophobicContact CG-CD2 4.39Å; F300-L358 HydrophobicContact CZ-CD2 4.44Å; Y354-L358 WeakPolarHBondContact O-CB 3.43Å; Y354-L358 PolarHBondContact O-N 3.14Å; V355-L358 PolarHBondContact O-N 3.45Å; L358-R360 PolarHBondContact O-N 3.25Å; L358-N361 PolarHBondContact O-N 3.37Å; L358-A362 WeakPolarHBondContact O-CB 3.46Å; L358-A362 PolarHBondContact O-N 3.29Å |
| 359 | R | 79.2 | Confident | 75.6 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 174.1 | -75.5 | -179.8 | 171.3 | 158.2 | 0.6 | 111.7 | T294 L295 V355 N361 A362 A363 | T294-R359 VanDerWaalsContact CB-NH2 3.3Å; T294-R359 PolarHBondContact O-NH2 2.9Å; T294-R359 PolarHBondContact OG1-NH2 3.49Å; L295-R359 HydrophobicContact CD1-CG 3.66Å; V355-R359 WeakPolarHBondContact O-CG 3.5Å; V355-R359 PolarHBondContact O-N 2.91Å; R359-N361 PolarHBondContact O-N 3.12Å; R359-A362 PolarHBondContact O-N 3.34Å; R359-A363 PolarHBondContact O-N 3.1Å |
| 360 | R | 74.7 | Confident | 76.7 | Confident | 151 Ų | 151 | 65.1 Ų | 65.1 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 176.7 | -172 | -173.7 | -61.7 | 128.1 | 1 | 111.7 | A356 A357 L358 A362 A363 L364 | A356-R360 WeakPolarHBondContact O-CB 3.22Å; A356-R360 PolarHBondContact O-N 3.1Å; A357-R360 PolarHBondContact O-N 3.3Å; L358-R360 PolarHBondContact O-N 3.25Å; R360-A362 VanDerWaalsContact C-N 3.32Å; R360-A362 PolarHBondContact O-N 3.49Å; R360-A363 PolarHBondContact O-N 2.92Å; R360-L364 WeakPolarHBondContact O-CG 3.31Å; R360-L364 PolarHBondContact O-N 3.46Å |
| 361 | N | 77 | Confident | 77.4 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -29.9 | 179.4 | -71.3 | -18.9 | 0 | 0 | 0 | 112.7 | A357 L358 R359 R365 | A357-N361 WeakPolarHBondContact O-CB 3.42Å; A357-N361 VanDerWaalsContact O-CG 3.25Å; A357-N361 PolarHBondContact O-N 2.85Å; A357-N361 PolarHBondContact O-ND2 3.04Å; L358-N361 PolarHBondContact O-N 3.37Å; R359-N361 PolarHBondContact O-N 3.12Å; N361-R365 WeakPolarHBondContact O-CG 3.42Å; N361-R365 PolarHBondContact O-N 2.98Å; N361-R365 PolarHBondContact O-NH1 3.06Å; N361-R365 VanDerWaalsContact O-NH1 3.1Å |
| 362 | A | 78.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -51.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V299 L358 R359 R360 L364 R365 D366 | V299-A362 HydrophobicContact CB-CB 4.02Å; V299-A362 HydrophobicContact CG1-CB 4.11Å; L358-A362 WeakPolarHBondContact O-CB 3.46Å; L358-A362 PolarHBondContact O-N 3.29Å; R359-A362 PolarHBondContact O-N 3.34Å; R360-A362 VanDerWaalsContact C-N 3.32Å; R360-A362 PolarHBondContact O-N 3.49Å; A362-L364 PolarHBondContact O-N 3.41Å; A362-R365 WeakPolarHBondContact O-CB 3.25Å; A362-R365 PolarHBondContact O-N 3.46Å; A362-D366 PolarHBondContact O-N 3Å |
| 363 | A | 71.8 | Confident | 78.4 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.7 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | R359 R360 D366 A367 | R359-A363 PolarHBondContact O-N 3.1Å; R360-A363 PolarHBondContact O-N 2.92Å; A363-D366 PolarHBondContact O-N 3.27Å; A363-A367 VanDerWaalsContact O-CB 3.24Å; A363-A367 WeakPolarHBondContact O-CB 3.36Å; A363-A367 PolarHBondContact O-N 3.5Å |
| 364 | L | 76.4 | Confident | 79 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 53% | 0.534 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 174.6 | -73.6 | 173.6 | 0 | 0 | 0 | 113.1 | R360 A362 A367 E368 | R360-L364 WeakPolarHBondContact O-CG 3.31Å; R360-L364 PolarHBondContact O-N 3.46Å; A362-L364 PolarHBondContact O-N 3.41Å; L364-A367 PolarHBondContact O-N 2.97Å; L364-E368 WeakPolarHBondContact O-CB 3.34Å; L364-E368 PolarHBondContact O-N 3.11Å |
| 365 | R | 80.8 | Confident | 79.5 | Confident | 64 Ų | 64 | 62 Ų | 62 | 24% | 0.242 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 175.9 | -72.3 | -172.1 | -49.4 | -88.6 | 8.4 | 111.5 | D298 V299 N361 A362 A367 E368 K369 | D298-R365 PolarHBondContact O-NH2 3.33Å; V299-R365 PolarHBondContact O-NH2 2.97Å; N361-R365 WeakPolarHBondContact O-CG 3.42Å; N361-R365 PolarHBondContact O-N 2.98Å; N361-R365 PolarHBondContact O-NH1 3.06Å; N361-R365 VanDerWaalsContact O-NH1 3.1Å; A362-R365 WeakPolarHBondContact O-CB 3.25Å; A362-R365 PolarHBondContact O-N 3.46Å; R365-A367 VanDerWaalsContact C-N 3.31Å; R365-E368 PolarHBondContact O-N 3Å; R365-K369 WeakPolarHBondContact O-CB 2.97Å; R365-K369 PolarHBondContact O-N 3.13Å |
| 366 | D | 75.7 | Confident | 79.8 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 178.1 | -60.7 | -25.6 | 0 | 0 | 0 | 110.1 | A362 A363 T370 | A362-D366 PolarHBondContact O-N 3Å; A363-D366 PolarHBondContact O-N 3.27Å; D366-T370 VanDerWaalsContact O-CB 3.22Å; D366-T370 WeakPolarHBondContact O-CB 3.42Å; D366-T370 PolarHBondContact O-N 3.35Å; D366-T370 PolarHBondContact O-OG1 3.39Å |
| 367 | A | 76.5 | Confident | 80.3 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A363 L364 R365 T370 L371 L401 | A363-A367 VanDerWaalsContact O-CB 3.24Å; A363-A367 WeakPolarHBondContact O-CB 3.36Å; A363-A367 PolarHBondContact O-N 3.5Å; L364-A367 PolarHBondContact O-N 2.97Å; R365-A367 VanDerWaalsContact C-N 3.31Å; A367-T370 PolarHBondContact O-N 3.45Å; A367-L371 VanDerWaalsContact O-CB 3.31Å; A367-L371 WeakPolarHBondContact O-CB 3.3Å; A367-L371 VanDerWaalsContact O-CG 3.25Å; A367-L371 WeakPolarHBondContact O-CG 3.36Å; A367-L371 PolarHBondContact O-N 2.88Å; A367-L401 VanDerWaalsContact CA-CD2 3.44Å; A367-L401 HydrophobicContact CB-CD1 4.05Å; A367-L401 HydrophobicContact CB-CD2 3.9Å; A367-L401 HydrophobicContact CB-CG 4.44Å |
| 368 | E | 81.8 | Confident | 80.9 | Confident | 123 Ų | 123 | 70.3 Ų | 70.3 | 58% | 0.575 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 178.4 | -174.1 | 179.2 | -177.8 | 0 | 0 | 111.8 | L364 R365 L371 N372 | L364-E368 WeakPolarHBondContact O-CB 3.34Å; L364-E368 PolarHBondContact O-N 3.11Å; R365-E368 PolarHBondContact O-N 3Å; E368-L371 PolarHBondContact O-N 2.86Å; E368-N372 WeakPolarHBondContact O-CB 3.37Å; E368-N372 PolarHBondContact O-N 3.26Å; E368-N372 PolarHBondContact O-ND2 3.28Å |
| 369 | K | 83.7 | Confident | 81.2 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60 | -49.2 | 175.2 | -176.8 | -177 | 172.8 | -169.5 | 0 | 111 | R365 L371 N372 E373 | R365-K369 WeakPolarHBondContact O-CB 2.97Å; R365-K369 PolarHBondContact O-N 3.13Å; K369-L371 PolarHBondContact O-N 3.43Å; K369-N372 PolarHBondContact O-N 3.04Å; K369-E373 WeakPolarHBondContact CE-OE1 3.36Å; K369-E373 WeakPolarHBondContact O-CG 3.45Å; K369-E373 PolarHBondContact O-N 2.96Å |
| 370 | T | 80 | Confident | 81.7 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 17% | 0.172 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 179.6 | -58 | 0 | 0 | 0 | 0 | 111.6 | D366 A367 E373 A374 M397 L401 | D366-T370 VanDerWaalsContact O-CB 3.22Å; D366-T370 WeakPolarHBondContact O-CB 3.42Å; D366-T370 PolarHBondContact O-N 3.35Å; D366-T370 PolarHBondContact O-OG1 3.39Å; A367-T370 PolarHBondContact O-N 3.45Å; T370-E373 PolarHBondContact O-N 2.95Å; T370-A374 WeakPolarHBondContact O-CB 3.25Å; T370-A374 PolarHBondContact O-N 3.39Å; T370-M397 HydrophobicContact CG2-CB 3.61Å; T370-M397 HydrophobicContact CG2-CG 4.01Å; T370-M397 HydrophobicContact CG2-SD 4.36Å; T370-L401 HydrophobicContact CG2-CD1 4.13Å; T370-L401 HydrophobicContact CG2-CD2 4.11Å; T370-L401 HydrophobicContact CG2-CG 4.23Å |
| 371 | L | 82.4 | Confident | 82.2 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 177 | -74.6 | 171 | 0 | 0 | 0 | 112.1 | A367 E368 K369 A374 L375 M398 L401 | A367-L371 VanDerWaalsContact O-CB 3.31Å; A367-L371 WeakPolarHBondContact O-CB 3.3Å; A367-L371 VanDerWaalsContact O-CG 3.25Å; A367-L371 WeakPolarHBondContact O-CG 3.36Å; A367-L371 PolarHBondContact O-N 2.88Å; E368-L371 PolarHBondContact O-N 2.86Å; K369-L371 PolarHBondContact O-N 3.43Å; L371-A374 PolarHBondContact O-N 3.35Å; L371-L375 VanDerWaalsContact O-CB 3.26Å; L371-L375 WeakPolarHBondContact O-CB 3.5Å; L371-L375 PolarHBondContact O-N 3.13Å; L371-M398 HydrophobicContact CD2-CE 3.93Å; L371-M398 HydrophobicContact CD2-CG 4.49Å; L371-L401 HydrophobicContact CG-CD1 4.2Å |
| 372 | N | 86.4 | Confident | 82.6 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.3 | -79.1 | -35.2 | 0 | 0 | 0 | 111.7 | E368 K369 L375 Q376 | E368-N372 WeakPolarHBondContact O-CB 3.37Å; E368-N372 PolarHBondContact O-N 3.26Å; E368-N372 PolarHBondContact O-ND2 3.28Å; K369-N372 PolarHBondContact O-N 3.04Å; N372-L375 PolarHBondContact O-N 2.86Å; N372-Q376 VanDerWaalsContact O-CB 3.31Å; N372-Q376 WeakPolarHBondContact O-CB 3.44Å; N372-Q376 PolarHBondContact O-N 2.9Å |
| 373 | E | 85.4 | Confident | 82.7 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.1 | -74.6 | 174.7 | -172 | 0 | 0 | 111.4 | K369 T370 Q376 K377 | K369-E373 WeakPolarHBondContact CE-OE1 3.36Å; K369-E373 WeakPolarHBondContact O-CG 3.45Å; K369-E373 PolarHBondContact O-N 2.96Å; T370-E373 PolarHBondContact O-N 2.95Å; E373-Q376 PolarHBondContact O-N 2.78Å; E373-K377 WeakPolarHBondContact O-CG 3.38Å; E373-K377 PolarHBondContact O-N 2.8Å |
| 374 | A | 83.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 84.4 Ų | 84.4 | 6% | 0.058 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T370 L371 K377 L378 A394 M397 | T370-A374 WeakPolarHBondContact O-CB 3.25Å; T370-A374 PolarHBondContact O-N 3.39Å; L371-A374 PolarHBondContact O-N 3.35Å; A374-K377 PolarHBondContact O-N 2.57Å; A374-L378 WeakPolarHBondContact O-CG 3.16Å; A374-L378 PolarHBondContact O-N 2.9Å; A374-A394 HydrophobicContact CB-CB 3.98Å; A374-M397 HydrophobicContact CB-SD 3.96Å |
| 375 | L | 86.5 | Confident | 82.9 | Confident | 78 Ų | 78 | 86.8 Ų | 86.8 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.5 | -171.4 | 72.5 | 0 | 0 | 0 | 111.6 | L371 N372 L378 R379 | L371-L375 VanDerWaalsContact O-CB 3.26Å; L371-L375 WeakPolarHBondContact O-CB 3.5Å; L371-L375 PolarHBondContact O-N 3.13Å; N372-L375 PolarHBondContact O-N 2.86Å; L375-L378 PolarHBondContact O-N 3.45Å; L375-R379 WeakPolarHBondContact O-CG 3.49Å; L375-R379 PolarHBondContact O-N 3.43Å |
| 376 | Q | 87.9 | Confident | 83 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 41% | 0.407 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 177.2 | -170.7 | 57.9 | 44 | 0 | 0 | 110.9 | N372 E373 L378 R379 D380 | N372-Q376 VanDerWaalsContact O-CB 3.31Å; N372-Q376 WeakPolarHBondContact O-CB 3.44Å; N372-Q376 PolarHBondContact O-N 2.9Å; E373-Q376 PolarHBondContact O-N 2.78Å; Q376-L378 VanDerWaalsContact C-N 3.29Å; Q376-L378 PolarHBondContact O-N 3.38Å; Q376-R379 WeakPolarHBondContact O-CB 3.43Å; Q376-R379 PolarHBondContact O-N 2.85Å; Q376-D380 VanDerWaalsContact NE2-CG 3.31Å; Q376-D380 PolarHBondContact NE2-OD1 3.26Å; Q376-D380 PolarHBondContact NE2-OD2 3.18Å; Q376-D380 VanDerWaalsContact O-CG 3.28Å; Q376-D380 PolarHBondContact O-N 3.17Å |
| 377 | K | 86.2 | Confident | 83.1 | Confident | 85 Ų | 85 | 83 Ų | 83 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.3 | -41.5 | 172.8 | -76 | -177.4 | 171.4 | -168.8 | 0 | 112.6 | E373 A374 D380 A381 A390 D393 M397 | E373-K377 WeakPolarHBondContact O-CG 3.38Å; E373-K377 PolarHBondContact O-N 2.8Å; A374-K377 PolarHBondContact O-N 2.57Å; K377-D380 PolarHBondContact O-N 3.22Å; K377-A381 PolarHBondContact O-N 3.29Å; K377-A390 HydrophobicContact CB-CB 4.34Å; K377-D393 HydrophobicContact CD-CB 4.43Å; K377-D393 IonicContact NZ-OD2 3.67Å; K377-D393 PolarHBondContact NZ-OD2 3.44Å; K377-M397 HydrophobicContact CD-CE 4.31Å |
| 378 | L | 84.3 | Confident | 83.3 | Confident | 67 Ų | 67 | 88 Ų | 88 | 35% | 0.351 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 176.2 | -73.8 | 166.7 | 0 | 0 | 0 | 112.7 | A374 L375 Q376 A390 L391 A394 | A374-L378 WeakPolarHBondContact O-CG 3.16Å; A374-L378 PolarHBondContact O-N 2.9Å; L375-L378 PolarHBondContact O-N 3.45Å; Q376-L378 VanDerWaalsContact C-N 3.29Å; Q376-L378 PolarHBondContact O-N 3.38Å; L378-A390 HydrophobicContact CD2-CB 3.79Å; L378-A390 HydrophobicContact CG-CB 4.26Å; L378-L391 HydrophobicContact CD2-CG 4.15Å; L378-A394 HydrophobicContact CD1-CB 4.42Å |
| 379 | R | 87.6 | Confident | 83.3 | Confident | 165 Ų | 165 | 86.6 Ų | 86.6 | 62% | 0.623 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -71.7 | -34.4 | 176.1 | -76.1 | 175.3 | 174.8 | 177.9 | -0.8 | 112.8 | L375 Q376 A381 | L375-R379 WeakPolarHBondContact O-CG 3.49Å; L375-R379 PolarHBondContact O-N 3.43Å; Q376-R379 WeakPolarHBondContact O-CB 3.43Å; Q376-R379 PolarHBondContact O-N 2.85Å; R379-A381 VanDerWaalsContact C-N 3.27Å |
| 380 | D | 88.3 | Confident | 83.4 | Confident | 93 Ų | 93 | 80.7 Ų | 80.7 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -82.4 | -6.1 | -179.8 | -61.2 | -25.4 | 0 | 0 | 0 | 112.4 | Q376 K377 H382 | Q376-D380 VanDerWaalsContact NE2-CG 3.31Å; Q376-D380 PolarHBondContact NE2-OD1 3.26Å; Q376-D380 PolarHBondContact NE2-OD2 3.18Å; Q376-D380 VanDerWaalsContact O-CG 3.28Å; Q376-D380 PolarHBondContact O-N 3.17Å; K377-D380 PolarHBondContact O-N 3.22Å; D380-H382 PolarHBondContact O-CD2 3.35Å; D380-H382 PolarHBondContact O-N 2.94Å; D380-H382 VanDerWaalsContact O-N 3.15Å |
| 381 | A | 85.5 | Confident | 83.5 | Confident | 24 Ų | 24 | 83.9 Ų | 83.9 | 20% | 0.198 | 44% | 0.435 | C | S | . | . | trans | -75.9 | 98.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K377 R379 A386 A387 A390 | K377-A381 PolarHBondContact O-N 3.29Å; R379-A381 VanDerWaalsContact C-N 3.27Å; A381-A386 HydrophobicContact CB-CB 4.12Å; A381-A387 HydrophobicContact CB-CB 4.17Å; A381-A390 HydrophobicContact CB-CB 4.32Å | ||
| 382 | H | 85.8 | Confident | 83.4 | Confident | 166 Ų | 166 | 85.6 Ų | 85.6 | 77% | 0.769 | 44% | 0.439 | S | S | * | . | trans | -95.7 | -0.9 | -178.5 | -57.7 | -44.6 | 0 | 0 | 0 | 115 | D380 | D380-H382 PolarHBondContact O-CD2 3.35Å; D380-H382 PolarHBondContact O-N 2.94Å; D380-H382 VanDerWaalsContact O-N 3.15Å | ||
| 383 | T | 80 | Confident | 83.1 | Confident | 82 Ų | 82 | 84.3 Ų | 84.3 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -129.8 | 158 | 177.3 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | E385 A386 A387 | T383-E385 VanDerWaalsContact C-N 3.32Å; T383-E385 PolarHBondContact O-N 3.18Å; T383-A386 PolarHBondContact O-N 3.49Å; T383-A386 VanDerWaalsContact OG1-CB 3.24Å; T383-A386 WeakPolarHBondContact OG1-CB 3.44Å; T383-A386 PolarHBondContact OG1-N 3.45Å; T383-A387 WeakPolarHBondContact O-CB 3.36Å; T383-A387 PolarHBondContact O-N 2.8Å |
| 384 | C | 75.3 | Confident | 82.8 | Confident | 109 Ų | 109 | 80.5 Ų | 80.5 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.8 | -41.5 | 177.4 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | A387 E388 | C384-A387 PolarHBondContact O-N 3.02Å; C384-E388 PolarHBondContact O-N 2.98Å |
| 385 | E | 78.2 | Confident | 82.5 | Confident | 153 Ų | 153 | 86 Ų | 86 | 72% | 0.715 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 176 | -71.4 | 174.9 | 165.7 | 0 | 0 | 111.6 | T383 A387 E388 D389 | T383-E385 VanDerWaalsContact C-N 3.32Å; T383-E385 PolarHBondContact O-N 3.18Å; E385-A387 PolarHBondContact O-N 3.45Å; E385-E388 PolarHBondContact O-N 3.21Å; E385-D389 PolarHBondContact O-N 3Å |
| 386 | A | 81.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 87.3 Ų | 87.3 | 30% | 0.298 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -33 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A381 T383 A390 | A381-A386 HydrophobicContact CB-CB 4.12Å; T383-A386 PolarHBondContact O-N 3.49Å; T383-A386 VanDerWaalsContact OG1-CB 3.24Å; T383-A386 WeakPolarHBondContact OG1-CB 3.44Å; T383-A386 PolarHBondContact OG1-N 3.45Å; A386-A390 WeakPolarHBondContact O-CB 3.16Å; A386-A390 PolarHBondContact O-N 3.21Å |
| 387 | A | 79.4 | Confident | 81.1 | Confident | 33 Ų | 33 | 85 Ų | 85 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A381 T383 C384 E385 L391 | A381-A387 HydrophobicContact CB-CB 4.17Å; T383-A387 WeakPolarHBondContact O-CB 3.36Å; T383-A387 PolarHBondContact O-N 2.8Å; C384-A387 PolarHBondContact O-N 3.02Å; E385-A387 PolarHBondContact O-N 3.45Å; A387-L391 WeakPolarHBondContact O-CB 3.32Å; A387-L391 PolarHBondContact O-N 3.01Å |
| 388 | E | 79.5 | Confident | 80.3 | Confident | 125 Ų | 125 | 86.5 Ų | 86.5 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 174.4 | -75.5 | -173.9 | -175.1 | 0 | 0 | 112.2 | C384 E385 L391 K392 | C384-E388 PolarHBondContact O-N 2.98Å; E385-E388 PolarHBondContact O-N 3.21Å; E388-L391 WeakPolarHBondContact O-CB 3.32Å; E388-L391 PolarHBondContact O-N 3.44Å; E388-K392 PolarHBondContact O-N 2.84Å |
| 389 | D | 82.3 | Confident | 79.3 | Confident | 93 Ų | 93 | 88.7 Ų | 88.7 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 176.9 | -75.9 | -17.2 | 0 | 0 | 0 | 111.4 | E385 L391 K392 D393 | E385-D389 PolarHBondContact O-N 3Å; D389-L391 VanDerWaalsContact C-N 3.28Å; D389-L391 PolarHBondContact O-N 3.41Å; D389-K392 PolarHBondContact O-N 3.49Å; D389-D393 WeakPolarHBondContact O-CB 3.46Å; D389-D393 PolarHBondContact O-N 3.22Å |
| 390 | A | 84.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 86 Ų | 86 | 6% | 0.058 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.5 | -35.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K377 L378 A381 A386 A394 | K377-A390 HydrophobicContact CB-CB 4.34Å; L378-A390 HydrophobicContact CD2-CB 3.79Å; L378-A390 HydrophobicContact CG-CB 4.26Å; A381-A390 HydrophobicContact CB-CB 4.32Å; A386-A390 WeakPolarHBondContact O-CB 3.16Å; A386-A390 PolarHBondContact O-N 3.21Å; A390-A394 VanDerWaalsContact O-CB 3.31Å; A390-A394 WeakPolarHBondContact O-CB 3.41Å; A390-A394 PolarHBondContact O-N 2.66Å |
| 391 | L | 81.8 | Confident | 77 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 174.1 | -107.6 | 145.9 | 0 | 0 | 0 | 112.5 | L378 A387 E388 D389 A394 Q395 | L378-L391 HydrophobicContact CD2-CG 4.15Å; A387-L391 WeakPolarHBondContact O-CB 3.32Å; A387-L391 PolarHBondContact O-N 3.01Å; E388-L391 WeakPolarHBondContact O-CB 3.32Å; E388-L391 PolarHBondContact O-N 3.44Å; D389-L391 VanDerWaalsContact C-N 3.28Å; D389-L391 PolarHBondContact O-N 3.41Å; L391-A394 PolarHBondContact O-N 2.72Å; L391-Q395 WeakPolarHBondContact O-CG 3.45Å; L391-Q395 PolarHBondContact O-N 2.8Å |
| 392 | K | 81.3 | Confident | 75.4 | Confident | 114 Ų | 114 | 87.7 Ų | 87.7 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.4 | -77.7 | 175.9 | -173.7 | 157.9 | 0 | 111.5 | E388 D389 A394 Q395 N396 | E388-K392 PolarHBondContact O-N 2.84Å; D389-K392 PolarHBondContact O-N 3.49Å; K392-A394 VanDerWaalsContact C-N 3.33Å; K392-A394 PolarHBondContact O-N 3.24Å; K392-Q395 PolarHBondContact O-N 2.77Å; K392-N396 PolarHBondContact O-N 2.98Å; K392-N396 PolarHBondContact O-ND2 3.49Å |
| 393 | D | 80.5 | Confident | 73.6 | Confident | 63 Ų | 63 | 85.9 Ų | 85.9 | 34% | 0.337 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.6 | -87.8 | 4.6 | 0 | 0 | 0 | 110.9 | K377 D389 Q395 N396 M397 | K377-D393 HydrophobicContact CD-CB 4.43Å; K377-D393 IonicContact NZ-OD2 3.67Å; K377-D393 PolarHBondContact NZ-OD2 3.44Å; D389-D393 WeakPolarHBondContact O-CB 3.46Å; D389-D393 PolarHBondContact O-N 3.22Å; D393-Q395 PolarHBondContact O-N 3.13Å; D393-N396 PolarHBondContact O-N 3.22Å; D393-M397 VanDerWaalsContact O-CB 3.28Å; D393-M397 WeakPolarHBondContact O-CB 3.34Å; D393-M397 VanDerWaalsContact O-CG 3.22Å; D393-M397 WeakPolarHBondContact O-CG 3.43Å; D393-M397 PolarHBondContact O-N 3.36Å |
| 394 | A | 78 | Confident | 72 | Confident | 10 Ų | 10 | 84.8 Ų | 84.8 | 8% | 0.083 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A374 L378 A390 L391 K392 M397 M398 | A374-A394 HydrophobicContact CB-CB 3.98Å; L378-A394 HydrophobicContact CD1-CB 4.42Å; A390-A394 VanDerWaalsContact O-CB 3.31Å; A390-A394 WeakPolarHBondContact O-CB 3.41Å; A390-A394 PolarHBondContact O-N 2.66Å; L391-A394 PolarHBondContact O-N 2.72Å; K392-A394 VanDerWaalsContact C-N 3.33Å; K392-A394 PolarHBondContact O-N 3.24Å; A394-M397 PolarHBondContact O-N 2.95Å; A394-M398 WeakPolarHBondContact O-CB 3.35Å; A394-M398 WeakPolarHBondContact O-CG 3.26Å; A394-M398 PolarHBondContact O-N 3.13Å |
| 395 | Q | 76.7 | Confident | 70.6 | Confident | 123 Ų | 123 | 90 Ų | 90 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 174.8 | -78.3 | -179.2 | -15 | 0 | 0 | 111.9 | L391 K392 D393 M397 M398 V399 | L391-Q395 WeakPolarHBondContact O-CG 3.45Å; L391-Q395 PolarHBondContact O-N 2.8Å; K392-Q395 PolarHBondContact O-N 2.77Å; D393-Q395 PolarHBondContact O-N 3.13Å; Q395-M397 VanDerWaalsContact C-N 3.35Å; Q395-M397 PolarHBondContact O-N 3.33Å; Q395-M398 PolarHBondContact O-N 3.32Å; Q395-V399 WeakPolarHBondContact O-CG2 3.4Å; Q395-V399 PolarHBondContact O-N 3.41Å; Q395-V399 VanDerWaalsContact O-N 3.07Å |
| 396 | N | 75.1 | Confident | 69.1 | Low | 105 Ų | 105 | 85.6 Ų | 85.6 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 178.3 | -71.2 | -26 | 0 | 0 | 0 | 111.5 | K392 D393 M398 V399 T400 | K392-N396 PolarHBondContact O-N 2.98Å; K392-N396 PolarHBondContact O-ND2 3.49Å; D393-N396 PolarHBondContact O-N 3.22Å; N396-M398 VanDerWaalsContact C-N 3.34Å; N396-M398 PolarHBondContact O-N 3.16Å; N396-V399 PolarHBondContact O-N 3.18Å; N396-T400 PolarHBondContact O-N 3.16Å; N396-T400 PolarHBondContact O-OG1 2.95Å |
| 397 | M | 71.1 | Confident | 67.2 | Low | 38 Ų | 38 | 89.9 Ų | 89.9 | 19% | 0.187 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174.6 | -78.5 | 176.9 | -180 | 0 | 0 | 111.9 | T370 A374 K377 D393 A394 Q395 V399 T400 L401 | T370-M397 HydrophobicContact CG2-CB 3.61Å; T370-M397 HydrophobicContact CG2-CG 4.01Å; T370-M397 HydrophobicContact CG2-SD 4.36Å; A374-M397 HydrophobicContact CB-SD 3.96Å; K377-M397 HydrophobicContact CD-CE 4.31Å; D393-M397 VanDerWaalsContact O-CB 3.28Å; D393-M397 WeakPolarHBondContact O-CB 3.34Å; D393-M397 VanDerWaalsContact O-CG 3.22Å; D393-M397 WeakPolarHBondContact O-CG 3.43Å; D393-M397 PolarHBondContact O-N 3.36Å; A394-M397 PolarHBondContact O-N 2.95Å; Q395-M397 VanDerWaalsContact C-N 3.35Å; Q395-M397 PolarHBondContact O-N 3.33Å; M397-V399 PolarHBondContact O-N 3.08Å; M397-T400 WeakPolarHBondContact CA-OG1 3.13Å; M397-T400 PolarHBondContact O-N 2.86Å; M397-T400 PolarHBondContact O-OG1 3.33Å; M397-L401 WeakPolarHBondContact O-CG 3.44Å |
| 398 | M | 68 | Low | 65.9 | Low | 117 Ų | 117 | 96.1 Ų | 96.1 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.8 | -36.3 | 175.5 | -77.8 | -170.8 | -173 | 0 | 0 | 112.9 | L371 A394 Q395 N396 T400 L401 | L371-M398 HydrophobicContact CD2-CE 3.93Å; L371-M398 HydrophobicContact CD2-CG 4.49Å; A394-M398 WeakPolarHBondContact O-CB 3.35Å; A394-M398 WeakPolarHBondContact O-CG 3.26Å; A394-M398 PolarHBondContact O-N 3.13Å; Q395-M398 PolarHBondContact O-N 3.32Å; N396-M398 VanDerWaalsContact C-N 3.34Å; N396-M398 PolarHBondContact O-N 3.16Å; M398-T400 VanDerWaalsContact C-N 3.27Å; M398-T400 PolarHBondContact O-N 3.3Å; M398-L401 PolarHBondContact O-N 2.98Å |
| 399 | V | 65 | Low | 64.6 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -35.8 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | Q395 N396 M397 L401 | Q395-V399 WeakPolarHBondContact O-CG2 3.4Å; Q395-V399 PolarHBondContact O-N 3.41Å; Q395-V399 VanDerWaalsContact O-N 3.07Å; N396-V399 PolarHBondContact O-N 3.18Å; M397-V399 PolarHBondContact O-N 3.08Å; V399-L401 VanDerWaalsContact C-N 3.27Å; V399-L401 PolarHBondContact O-N 3.37Å |
| 400 | T | 63.8 | Low | 63.5 | Low | 110 Ų | 110 | 99.2 Ų | 99.2 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.7 | -16.8 | 176.9 | 39.1 | 0 | 0 | 0 | 0 | 114.6 | N396 M397 M398 S402 | N396-T400 PolarHBondContact O-N 3.16Å; N396-T400 PolarHBondContact O-OG1 2.95Å; M397-T400 WeakPolarHBondContact CA-OG1 3.13Å; M397-T400 PolarHBondContact O-N 2.86Å; M397-T400 PolarHBondContact O-OG1 3.33Å; M398-T400 VanDerWaalsContact C-N 3.27Å; M398-T400 PolarHBondContact O-N 3.3Å; T400-S402 PolarHBondContact O-N 3.01Å; T400-S402 VanDerWaalsContact O-N 3.08Å |
| 401 | L | 62.1 | Low | 62.7 | Low | 44 Ų | 44 | 103.8 Ų | 103.8 | 23% | 0.23 | 59% | 0.591 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | 23.7 | -176 | -65.9 | 178.8 | 0 | 0 | 0 | 115.2 | A367 T370 L371 M397 M398 V399 T403 | A367-L401 VanDerWaalsContact CA-CD2 3.44Å; A367-L401 HydrophobicContact CB-CD1 4.05Å; A367-L401 HydrophobicContact CB-CD2 3.9Å; A367-L401 HydrophobicContact CB-CG 4.44Å; T370-L401 HydrophobicContact CG2-CD1 4.13Å; T370-L401 HydrophobicContact CG2-CD2 4.11Å; T370-L401 HydrophobicContact CG2-CG 4.23Å; L371-L401 HydrophobicContact CG-CD1 4.2Å; M397-L401 WeakPolarHBondContact O-CG 3.44Å; M398-L401 PolarHBondContact O-N 2.98Å; V399-L401 VanDerWaalsContact C-N 3.27Å; V399-L401 PolarHBondContact O-N 3.37Å; L401-T403 PolarHBondContact O-N 3.48Å; L401-T403 VanDerWaalsContact O-N 3.15Å |
| 402 | S | 52.3 | Low | 62.5 | Low | 108 Ų | 108 | 104.6 Ų | 104.6 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | trans | -65.6 | 113 | -176.9 | -98.4 | 0 | 0 | 0 | 0 | 113.1 | T400 G404 | T400-S402 PolarHBondContact O-N 3.01Å; T400-S402 VanDerWaalsContact O-N 3.08Å; S402-G404 PolarHBondContact O-N 3.21Å | ||
| 403 | T | 49.1 | Very low | 62.3 | Low | 127 Ų | 127 | 104.6 Ų | 104.6 | 78% | 0.779 | 60% | 0.596 | S | S | * | * | trans | -80.9 | 42.1 | -179.1 | 50 | 0 | 0 | 0 | 0 | 114.4 | L401 | L401-T403 PolarHBondContact O-N 3.48Å; L401-T403 VanDerWaalsContact O-N 3.15Å | ||
| 404 | G | 46.4 | Very low | 62.5 | Low | 59 Ų | 59 | 106.1 Ų | 106.1 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | trans | -105.3 | 141.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S402 G406 | S402-G404 PolarHBondContact O-N 3.21Å; G404-G406 PolarHBondContact O-N 2.91Å | ||
| 405 | K | 44.9 | Very low | 62.5 | Low | 218 Ų | 218 | 111.1 Ų | 111.1 | 95% | 0.948 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -46.8 | 130.4 | 179.5 | -68.9 | 176 | 175.7 | -180 | 0 | 113.5 | ||
| 406 | G | 47 | Very low | 62.8 | Low | 62 Ų | 62 | 108.2 Ų | 108.2 | 64% | 0.639 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 68.8 | 104.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G404 I408 | G404-G406 PolarHBondContact O-N 2.91Å; G406-I408 PolarHBondContact O-N 2.9Å |
| 407 | V | 42.8 | Very low | 63.1 | Low | 126 Ų | 126 | 107 Ų | 107 | 76% | 0.764 | 61% | 0.613 | S | S | * | * | trans | -55.9 | 111.7 | 169.3 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | Q409 | V407-Q409 VanDerWaalsContact C-N 3.3Å; V407-Q409 HydrophobicContact CB-CG 4.47Å; V407-Q409 HydrophobicContact CG1-CG 4Å; V407-Q409 PolarHBondContact O-N 3.27Å | ||
| 408 | I | 52.5 | Low | 63.9 | Low | 164 Ų | 164 | 109.2 Ų | 109.2 | 84% | 0.841 | 63% | 0.63 | S | S | * | * | trans | -65.3 | 98.8 | 170.3 | -61.3 | 173.5 | 0 | 0 | 0 | 104.8 | G406 | G406-I408 PolarHBondContact O-N 2.9Š| ||
| 409 | Q | 50.9 | Low | 64.4 | Low | 153 Ų | 153 | 109.8 Ų | 109.8 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -83 | 124.8 | 176.6 | -69.9 | -171.1 | -9.8 | 0 | 0 | 108.4 | V407 V411 | V407-Q409 VanDerWaalsContact C-N 3.3Å; V407-Q409 HydrophobicContact CB-CG 4.47Å; V407-Q409 HydrophobicContact CG1-CG 4Å; V407-Q409 PolarHBondContact O-N 3.27Å; Q409-V411 PolarHBondContact O-N 2.85Å |
| 410 | P | 58.5 | Low | 65.1 | Low | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 134.7 | 167.4 | 27.9 | -32.2 | 0 | 0 | 0 | 108.6 | ||
| 411 | V | 68.5 | Low | 66.1 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 131.2 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | Q409 D415 V416 | Q409-V411 PolarHBondContact O-N 2.85Å; V411-D415 HydrophobicContact CG1-CB 3.94Å; V411-V416 HydrophobicContact CG1-CG2 3.66Å |
| 412 | H | 78.1 | Confident | 66.9 | Low | 110 Ų | 110 | 110.2 Ų | 110.2 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 145.1 | 177.6 | -168.1 | -96.1 | 0 | 0 | 0 | 109.6 | D414 D415 | H412-D414 VanDerWaalsContact CE1-CG 3.43Å; H412-D414 IonicContact CE1-OD1 2.77Å; H412-D414 IonicContact CE1-OD2 2.95Å; H412-D414 PolarHBondContact CE1-OD2 3.32Å; H412-D414 WeakPolarHBondContact ND1-CB 3.49Å; H412-D414 PolarHBondContact ND1-N 3.43Å; H412-D414 IonicContact ND1-OD2 3.35Å; H412-D414 PolarHBondContact ND1-OD2 3.23Å; H412-D414 PolarHBondContact O-N 2.97Å; H412-D415 WeakPolarHBondContact CB-OD2 3.43Å; H412-D415 PolarHBondContact N-OD2 3.37Å; H412-D415 WeakPolarHBondContact O-CB 3.38Å; H412-D415 PolarHBondContact O-N 3.13Å |
| 413 | I | 77.5 | Confident | 68 | Low | 114 Ų | 114 | 109 Ų | 109 | 59% | 0.585 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57.7 | -37.8 | -177.7 | -169 | 168.4 | 0 | 0 | 0 | 111.5 | D415 V416 L417 | I413-D415 PolarHBondContact O-N 3.38Å; I413-V416 PolarHBondContact O-N 3.44Å; I413-L417 HydrophobicContact CG1-CD1 4.44Å; I413-L417 HydrophobicContact CG1-CD2 4.32Å; I413-L417 HydrophobicContact CG1-CG 4.14Å; I413-L417 WeakPolarHBondContact O-CG 3.3Å; I413-L417 PolarHBondContact O-N 3.48Å |
| 414 | D | 84.6 | Confident | 69.4 | Low | 96 Ų | 96 | 107 Ų | 107 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.8 | -23.5 | 178.7 | -61.5 | -13.3 | 0 | 0 | 0 | 113.7 | H412 V416 P418 | H412-D414 VanDerWaalsContact CE1-CG 3.43Å; H412-D414 IonicContact CE1-OD1 2.77Å; H412-D414 IonicContact CE1-OD2 2.95Å; H412-D414 PolarHBondContact CE1-OD2 3.32Å; H412-D414 WeakPolarHBondContact ND1-CB 3.49Å; H412-D414 PolarHBondContact ND1-N 3.43Å; H412-D414 IonicContact ND1-OD2 3.35Å; H412-D414 PolarHBondContact ND1-OD2 3.23Å; H412-D414 PolarHBondContact O-N 2.97Å; D414-V416 VanDerWaalsContact C-N 3.31Å; D414-P418 WeakPolarHBondContact O-CD 3.3Å |
| 415 | D | 77.7 | Confident | 70.8 | Confident | 115 Ų | 115 | 109 Ų | 109 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.8 | -22.5 | 175.7 | -57 | -38.5 | 0 | 0 | 0 | 111.7 | V411 H412 I413 | V411-D415 HydrophobicContact CG1-CB 3.94Å; H412-D415 WeakPolarHBondContact CB-OD2 3.43Å; H412-D415 PolarHBondContact N-OD2 3.37Å; H412-D415 WeakPolarHBondContact O-CB 3.38Å; H412-D415 PolarHBondContact O-N 3.13Å; I413-D415 PolarHBondContact O-N 3.38Å |
| 416 | V | 81.9 | Confident | 72.1 | Confident | 61 Ų | 61 | 99.5 Ų | 99.5 | 37% | 0.37 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -95.6 | -32 | -178.3 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | V411 I413 D414 P418 E419 V420 | V411-V416 HydrophobicContact CG1-CG2 3.66Å; I413-V416 PolarHBondContact O-N 3.44Å; D414-V416 VanDerWaalsContact C-N 3.31Å; V416-P418 VanDerWaalsContact C-CD 3.46Å; V416-E419 PolarHBondContact O-N 3.47Å; V416-E419 VanDerWaalsContact O-N 3.16Å; V416-V420 HydrophobicContact CG1-CG2 4.11Å; V416-V420 PolarHBondContact O-N 3.44Å |
| 417 | L | 83.5 | Confident | 73.2 | Confident | 80 Ų | 80 | 102.4 Ų | 102.4 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -53.9 | -41.3 | -176.3 | -73.7 | 175.6 | 0 | 0 | 0 | 114.4 | I413 E419 V420 V421 | I413-L417 HydrophobicContact CG1-CD1 4.44Å; I413-L417 HydrophobicContact CG1-CD2 4.32Å; I413-L417 HydrophobicContact CG1-CG 4.14Å; I413-L417 WeakPolarHBondContact O-CG 3.3Å; I413-L417 PolarHBondContact O-N 3.48Å; L417-E419 VanDerWaalsContact C-N 3.34Å; L417-E419 PolarHBondContact O-N 2.84Å; L417-V420 PolarHBondContact O-N 3Å; L417-V421 WeakPolarHBondContact O-CG2 3.38Å; L417-V421 PolarHBondContact O-N 2.95Å |
| 418 | P | 86.6 | Confident | 74.6 | Confident | 84 Ų | 84 | 103.3 Ų | 103.3 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 177.3 | -26.2 | 35.4 | 0 | 0 | 0 | 113 | D414 V416 V420 V421 E422 | D414-P418 WeakPolarHBondContact O-CD 3.3Å; V416-P418 VanDerWaalsContact C-CD 3.46Å; P418-V420 VanDerWaalsContact C-N 3.33Å; P418-V420 PolarHBondContact O-N 3.44Å; P418-V421 PolarHBondContact O-N 2.99Å; P418-E422 WeakPolarHBondContact O-CB 3.33Å; P418-E422 PolarHBondContact O-N 3.34Å |
| 419 | E | 79.2 | Confident | 75.3 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -36.6 | 178.4 | -169 | -174.3 | 164.7 | 0 | 0 | 111.4 | V416 L417 E422 R423 | V416-E419 PolarHBondContact O-N 3.47Å; V416-E419 VanDerWaalsContact O-N 3.16Å; L417-E419 VanDerWaalsContact C-N 3.34Å; L417-E419 PolarHBondContact O-N 2.84Å; E419-E422 PolarHBondContact O-N 3.1Å; E419-R423 VanDerWaalsContact O-CB 3.3Å; E419-R423 WeakPolarHBondContact O-CB 3.26Å; E419-R423 PolarHBondContact O-N 3.16Å |
| 420 | V | 79.7 | Confident | 75.8 | Confident | 73 Ų | 73 | 96 Ų | 96 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | V416 L417 P418 R423 V424 | V416-V420 HydrophobicContact CG1-CG2 4.11Å; V416-V420 PolarHBondContact O-N 3.44Å; L417-V420 PolarHBondContact O-N 3Å; P418-V420 VanDerWaalsContact C-N 3.33Å; P418-V420 PolarHBondContact O-N 3.44Å; V420-R423 PolarHBondContact O-N 3.2Å; V420-V424 WeakPolarHBondContact O-CG2 3.41Å; V420-V424 PolarHBondContact O-N 2.98Å |
| 421 | V | 84.3 | Confident | 75.7 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | L417 P418 R423 V424 E425 | L417-V421 WeakPolarHBondContact O-CG2 3.38Å; L417-V421 PolarHBondContact O-N 2.95Å; P418-V421 PolarHBondContact O-N 2.99Å; V421-R423 VanDerWaalsContact C-N 3.3Å; V421-R423 PolarHBondContact O-N 3.37Å; V421-V424 PolarHBondContact O-N 2.8Å; V421-V424 VanDerWaalsContact O-N 3.08Å; V421-E425 HydrophobicContact CG1-CG 4.27Å; V421-E425 WeakPolarHBondContact O-CG 3.42Å; V421-E425 PolarHBondContact O-N 3.35Å |
| 422 | E | 79.7 | Confident | 74.9 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.1 | -42.8 | 177.1 | -174.8 | 175 | -168.1 | 0 | 0 | 111.6 | P418 E419 V424 E425 C426 | P418-E422 WeakPolarHBondContact O-CB 3.33Å; P418-E422 PolarHBondContact O-N 3.34Å; E419-E422 PolarHBondContact O-N 3.1Å; E422-V424 PolarHBondContact O-N 3.05Å; E422-E425 PolarHBondContact O-N 3.13Å; E422-C426 WeakPolarHBondContact O-CB 3.4Å; E422-C426 PolarHBondContact O-N 2.96Å; E422-C426 PolarHBondContact O-SG 3.33Å |
| 423 | R | 73.7 | Confident | 73.6 | Confident | 82 Ų | 82 | 100.7 Ų | 100.7 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 176.7 | -174.2 | 170.9 | 173.6 | 161.7 | -7.6 | 113 | E419 V420 V421 R427 S434 E452 | E419-R423 VanDerWaalsContact O-CB 3.3Å; E419-R423 WeakPolarHBondContact O-CB 3.26Å; E419-R423 PolarHBondContact O-N 3.16Å; V420-R423 PolarHBondContact O-N 3.2Å; V421-R423 VanDerWaalsContact C-N 3.3Å; V421-R423 PolarHBondContact O-N 3.37Å; R423-R427 VanDerWaalsContact O-CG 3.32Å; R423-R427 WeakPolarHBondContact O-CG 3.39Å; R423-R427 PolarHBondContact O-N 3.03Å; R423-S434 PolarHBondContact O-OG 3.18Å; R423-E452 IonicContact NH2-OE1 2.9Å; R423-E452 PolarHBondContact NH2-OE1 3.41Å; R423-E452 IonicContact NH2-OE2 3.76Å; R423-E452 PolarHBondContact NH2-OE2 3.49Å |
| 424 | V | 78.2 | Confident | 72.3 | Confident | 86 Ų | 86 | 95.8 Ų | 95.8 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74 | -41.4 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V420 V421 E422 R427 N428 | V420-V424 WeakPolarHBondContact O-CG2 3.41Å; V420-V424 PolarHBondContact O-N 2.98Å; V421-V424 PolarHBondContact O-N 2.8Å; V421-V424 VanDerWaalsContact O-N 3.08Å; E422-V424 PolarHBondContact O-N 3.05Å; V424-R427 WeakPolarHBondContact O-CB 3.47Å; V424-R427 PolarHBondContact O-N 2.86Å; V424-N428 PolarHBondContact O-N 3.29Å |
| 425 | E | 77.7 | Confident | 71.1 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 176.9 | -73.6 | -175.7 | 168.6 | 0 | 0 | 111.7 | V421 E422 R427 N428 Q429 | V421-E425 HydrophobicContact CG1-CG 4.27Å; V421-E425 WeakPolarHBondContact O-CG 3.42Å; V421-E425 PolarHBondContact O-N 3.35Å; E422-E425 PolarHBondContact O-N 3.13Å; E425-R427 VanDerWaalsContact C-N 3.29Å; E425-R427 PolarHBondContact O-N 2.86Å; E425-N428 PolarHBondContact O-N 3.47Å; E425-N428 VanDerWaalsContact O-N 3.1Å; E425-Q429 WeakPolarHBondContact O-CB 3.33Å; E425-Q429 WeakPolarHBondContact O-CG 3.09Å; E425-Q429 PolarHBondContact O-N 2.87Å |
| 426 | C | 71.2 | Confident | 71.2 | Confident | 18 Ų | 18 | 92.7 Ų | 92.7 | 12% | 0.122 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 178 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | E422 G430 L431 S434 | E422-C426 WeakPolarHBondContact O-CB 3.4Å; E422-C426 PolarHBondContact O-N 2.96Å; E422-C426 PolarHBondContact O-SG 3.33Å; C426-G430 PolarHBondContact O-N 3.39Å; C426-G430 VanDerWaalsContact O-N 3.16Å; C426-L431 HydrophobicContact CB-CB 4.31Å; C426-L431 PolarHBondContact O-N 3.46Å; C426-S434 VanDerWaalsContact C-CB 3.43Å; C426-S434 VanDerWaalsContact CB-OG 3.26Å; C426-S434 WeakPolarHBondContact CB-OG 3.41Å |
| 427 | R | 69.6 | Low | 71.4 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 169.9 | -81 | 174.4 | -177.1 | 178.9 | -3.5 | 111.6 | R423 V424 E425 G430 S434 E452 | R423-R427 VanDerWaalsContact O-CG 3.32Å; R423-R427 WeakPolarHBondContact O-CG 3.39Å; R423-R427 PolarHBondContact O-N 3.03Å; V424-R427 WeakPolarHBondContact O-CB 3.47Å; V424-R427 PolarHBondContact O-N 2.86Å; E425-R427 VanDerWaalsContact C-N 3.29Å; E425-R427 PolarHBondContact O-N 2.86Å; R427-G430 PolarHBondContact O-N 2.86Å; R427-S434 WeakPolarHBondContact CG-OG 3.47Å; R427-S434 PolarHBondContact N-OG 3.5Å; R427-S434 VanDerWaalsContact N-OG 3.08Å; R427-E452 IonicContact NH2-OE1 3.3Å; R427-E452 PolarHBondContact NH2-OE1 3.04Å |
| 428 | N | 72 | Confident | 71.7 | Confident | 145 Ų | 145 | 89.8 Ų | 89.8 | 78% | 0.775 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68 | -34.4 | -179.3 | -170.6 | 53.2 | 0 | 0 | 0 | 112.8 | V424 E425 G430 | V424-N428 PolarHBondContact O-N 3.29Å; E425-N428 PolarHBondContact O-N 3.47Å; E425-N428 VanDerWaalsContact O-N 3.1Å; N428-G430 VanDerWaalsContact C-N 3.29Å |
| 429 | Q | 68 | Low | 71.9 | Confident | 125 Ų | 125 | 86 Ų | 86 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.9 | 177.6 | -65.9 | 177.1 | 21.1 | 0 | 0 | 113.2 | E425 L431 | E425-Q429 WeakPolarHBondContact O-CB 3.33Å; E425-Q429 WeakPolarHBondContact O-CG 3.09Å; E425-Q429 PolarHBondContact O-N 2.87Å; Q429-L431 HydrophobicContact CB-CD1 4.07Å; Q429-L431 HydrophobicContact CB-CG 3.92Å; Q429-L431 PolarHBondContact O-N 3.38Å |
| 430 | G | 61.2 | Low | 72.4 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 18.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C426 R427 N428 R435 | C426-G430 PolarHBondContact O-N 3.39Å; C426-G430 VanDerWaalsContact O-N 3.16Å; R427-G430 PolarHBondContact O-N 2.86Å; N428-G430 VanDerWaalsContact C-N 3.29Å; G430-R435 PolarHBondContact O-NH2 2.93Å |
| 431 | L | 57.3 | Low | 73 | Confident | 82 Ų | 82 | 77.3 Ų | 77.3 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | trans | -69.6 | 132.8 | -179.6 | -70.1 | 171.3 | 0 | 0 | 0 | 110.5 | C426 Q429 K433 S434 | C426-L431 HydrophobicContact CB-CB 4.31Å; C426-L431 PolarHBondContact O-N 3.46Å; Q429-L431 HydrophobicContact CB-CD1 4.07Å; Q429-L431 HydrophobicContact CB-CG 3.92Å; Q429-L431 PolarHBondContact O-N 3.38Å; L431-K433 PolarHBondContact O-N 3.42Å; L431-K433 VanDerWaalsContact O-N 3.12Å; L431-S434 PolarHBondContact O-N 3.47Å; L431-S434 VanDerWaalsContact O-N 3.11Å | ||
| 432 | E | 51.5 | Low | 73.2 | Confident | 153 Ų | 153 | 79.8 Ų | 79.8 | 72% | 0.715 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -56 | -29.7 | -179.1 | -88.9 | -177.6 | 175.2 | 0 | 0 | 113.9 | S434 R435 | E432-S434 PolarHBondContact O-N 3.04Å; E432-R435 WeakPolarHBondContact O-CB 3.48Å; E432-R435 WeakPolarHBondContact O-CG 3.45Å; E432-R435 PolarHBondContact O-N 2.87Å; E432-R435 IonicContact OE1-NH1 3.94Å |
| 433 | K | 49.7 | Very low | 73.7 | Confident | 206 Ų | 206 | 76.1 Ų | 76.1 | 90% | 0.896 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -65.5 | -8.1 | 179.5 | -73.9 | -174.7 | 173.6 | -176 | 0 | 114.7 | L431 | L431-K433 PolarHBondContact O-N 3.42Å; L431-K433 VanDerWaalsContact O-N 3.12Å |
| 434 | S | 49.8 | Very low | 74.6 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -95.9 | -4.9 | 177.3 | -145.8 | 0 | 0 | 0 | 0 | 115.8 | R423 C426 R427 L431 E432 | R423-S434 PolarHBondContact O-OG 3.18Å; C426-S434 VanDerWaalsContact C-CB 3.43Å; C426-S434 VanDerWaalsContact CB-OG 3.26Å; C426-S434 WeakPolarHBondContact CB-OG 3.41Å; R427-S434 WeakPolarHBondContact CG-OG 3.47Å; R427-S434 PolarHBondContact N-OG 3.5Å; R427-S434 VanDerWaalsContact N-OG 3.08Å; L431-S434 PolarHBondContact O-N 3.47Å; L431-S434 VanDerWaalsContact O-N 3.11Å; E432-S434 PolarHBondContact O-N 3.04Å |
| 435 | R | 60.6 | Low | 75.1 | Confident | 133 Ų | 133 | 69.2 Ų | 69.2 | 50% | 0.502 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 124.2 | -150.8 | -67.6 | -174.7 | -178.3 | 174.1 | -2.3 | 111.5 | G430 E432 | G430-R435 PolarHBondContact O-NH2 2.93Å; E432-R435 WeakPolarHBondContact O-CB 3.48Å; E432-R435 WeakPolarHBondContact O-CG 3.45Å; E432-R435 PolarHBondContact O-N 2.87Å; E432-R435 IonicContact OE1-NH1 3.94Å |
| 436 | T | 79 | Confident | 75.6 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 141.6 | 153.5 | 45.1 | 0 | 0 | 0 | 0 | 108.7 | M438 G449 M451 E452 | T436-M438 PolarHBondContact O-N 3.24Å; T436-M438 WeakPolarHBondContact OG1-CE 3.29Å; T436-G449 WeakPolarHBondContact CB-O 3.36Å; T436-G449 PolarHBondContact OG1-O 3.44Å; T436-M451 CarbonylContact C-O 3.59Å; T436-M451 WeakPolarHBondContact CA-O 3.39Å; T436-E452 HydrophobicContact CG2-CB 4.34Å; T436-E452 HydrophobicContact CG2-CG 3.68Å |
| 437 | L | 87.8 | Confident | 76.3 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 116.9 | -179.9 | -176.4 | 67.4 | 0 | 0 | 0 | 108.8 | G450 M451 V478 A567 L568 P606 | L437-G450 CarbonylContact O-C 3.59Å; L437-G450 WeakPolarHBondContact O-CA 3.37Å; L437-M451 HydrophobicContact CB-CB 4.48Å; L437-M451 HydrophobicContact CB-CE 4.35Å; L437-M451 HydrophobicContact CD2-CE 3.82Å; L437-M451 HydrophobicContact CG-CE 4.05Å; L437-M451 PolarHBondContact N-O 3.02Å; L437-M451 PolarHBondContact O-N 2.71Å; L437-V478 HydrophobicContact CD1-CG1 4.21Å; L437-V478 HydrophobicContact CD2-CG1 4.2Å; L437-V478 HydrophobicContact CD2-CG2 4.35Å; L437-V478 HydrophobicContact CG-CG2 4.44Å; L437-A567 HydrophobicContact CD1-CB 4.17Å; L437-A567 HydrophobicContact CD2-CB 4.34Å; L437-L568 HydrophobicContact CD2-CB 3.77Å; L437-L568 HydrophobicContact CD2-CD1 4.36Å; L437-L568 HydrophobicContact CD2-CG 4.45Å; L437-P606 HydrophobicContact CB-CG 4.03Å; L437-P606 HydrophobicContact CD2-CG 3.68Å |
| 438 | M | 89.6 | Confident | 77.2 | Confident | 65 Ų | 65 | 66 Ų | 66 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 136.2 | 178.5 | -62.2 | -59.8 | 168.3 | 0 | 0 | 109.8 | T436 G440 D445 | T436-M438 PolarHBondContact O-N 3.24Å; T436-M438 WeakPolarHBondContact OG1-CE 3.29Å; M438-G440 PolarHBondContact O-N 3.14Å; M438-D445 HydrophobicContact SD-CB 4.02Å |
| 439 | T | 91.1 | Very high | 77.8 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | -69.9 | -19.6 | 176.1 | 64.8 | 0 | 0 | 0 | 0 | 112 | I441 L444 D445 M451 | T439-I441 PolarHBondContact O-N 2.94Å; T439-I441 PolarHBondContact OG1-N 3.4Å; T439-L444 HydrophobicContact CG2-CD2 3.89Å; T439-L444 HydrophobicContact CG2-CG 4.41Å; T439-D445 WeakPolarHBondContact CB-OD1 3.32Å; T439-D445 PolarHBondContact N-OD1 2.77Å; T439-D445 PolarHBondContact N-OD2 2.86Å; T439-D445 VanDerWaalsContact N-OD2 3.17Å; T439-D445 PolarHBondContact OG1-OD1 3.1Å; T439-D445 PolarHBondContact OG1-OD2 3.44Å; T439-M451 HydrophobicContact CG2-CE 3.87Å; T439-M451 HydrophobicContact CG2-CG 4.19Å; T439-M451 HydrophobicContact CG2-SD 4.14Å | ||
| 440 | G | 88.4 | Confident | 78.7 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 78.7 | 0.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M438 D445 K477 | M438-G440 PolarHBondContact O-N 3.14Å; G440-D445 WeakPolarHBondContact CA-OD2 3.4Å; G440-D445 PolarHBondContact N-OD2 3.38Å; G440-K477 WeakPolarHBondContact O-CD 3.34Å |
| 441 | I | 91.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -94.7 | 98.8 | 171 | -60 | 173.5 | 0 | 0 | 0 | 105.9 | T439 E443 L444 D445 L470 I474 K477 | T439-I441 PolarHBondContact O-N 2.94Å; T439-I441 PolarHBondContact OG1-N 3.4Å; I441-E443 PolarHBondContact O-N 3.15Å; I441-E443 VanDerWaalsContact O-N 3.07Å; I441-L444 HydrophobicContact CB-CB 3.81Å; I441-L444 HydrophobicContact CD1-CD2 4.37Å; I441-L444 HydrophobicContact CG2-CB 3.77Å; I441-L444 CarbonylContact O-C 3.51Å; I441-L444 WeakPolarHBondContact O-CA 3.48Å; I441-L444 WeakPolarHBondContact O-CB 3.47Å; I441-L444 PolarHBondContact O-N 2.88Å; I441-D445 PolarHBondContact N-OD2 3.33Å; I441-D445 PolarHBondContact O-N 3.29Å; I441-L470 HydrophobicContact CD1-CD1 3.95Å; I441-I474 HydrophobicContact CD1-CG1 4.21Å; I441-K477 HydrophobicContact CG1-CD 4.46Å | ||
| 442 | D | 89.8 | Confident | 81.5 | Confident | 129 Ų | 129 | 52 Ų | 52 | 69% | 0.69 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -48.1 | -42.4 | -172.9 | -64.5 | -26.7 | 0 | 0 | 0 | 113.1 | L444 A446 | D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.41Å; D442-A446 WeakPolarHBondContact O-CB 3.26Å; D442-A446 PolarHBondContact O-N 3.24Å |
| 443 | E | 90.6 | Very high | 83.2 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.8 | -27.3 | -179 | -51.8 | 99.1 | 146.8 | 0 | 0 | 113.1 | I441 K447 I677 R679 Q691 | I441-E443 PolarHBondContact O-N 3.15Å; I441-E443 VanDerWaalsContact O-N 3.07Å; E443-K447 PolarHBondContact O-N 2.96Å; E443-I677 HydrophobicContact CB-CG1 4.31Å; E443-I677 HydrophobicContact CB-CG2 3.74Å; E443-R679 IonicContact OE2-NH1 2.86Å; E443-Q691 VanDerWaalsContact CD-NE2 3.34Å; E443-Q691 HydrophobicContact CG-CG 3.86Å; E443-Q691 PolarHBondContact OE1-NE2 3.07Å |
| 444 | L | 91 | Very high | 85.1 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.7 | -49.4 | 172.3 | -173.4 | 59.4 | 0 | 0 | 0 | 110.2 | T439 I441 D442 A446 K447 T448 L644 I666 I677 | T439-L444 HydrophobicContact CG2-CD2 3.89Å; T439-L444 HydrophobicContact CG2-CG 4.41Å; I441-L444 HydrophobicContact CB-CB 3.81Å; I441-L444 HydrophobicContact CD1-CD2 4.37Å; I441-L444 HydrophobicContact CG2-CB 3.77Å; I441-L444 CarbonylContact O-C 3.51Å; I441-L444 WeakPolarHBondContact O-CA 3.48Å; I441-L444 WeakPolarHBondContact O-CB 3.47Å; I441-L444 PolarHBondContact O-N 2.88Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.41Å; L444-A446 VanDerWaalsContact C-N 3.29Å; L444-A446 PolarHBondContact O-N 3.08Å; L444-K447 CarbonylContact O-C 3.6Å; L444-K447 PolarHBondContact O-N 2.85Å; L444-T448 HydrophobicContact CD1-CG2 3.7Å; L444-T448 HydrophobicContact CG-CG2 4.16Å; L444-T448 WeakPolarHBondContact O-CG2 3.47Å; L444-T448 PolarHBondContact O-N 3Å; L444-T448 PolarHBondContact O-OG1 3.34Å; L444-L644 HydrophobicContact CD1-CD1 4.44Å; L444-L644 HydrophobicContact CD1-CD2 4.03Å; L444-L644 HydrophobicContact CD2-CD1 4.06Å; L444-I666 HydrophobicContact CD1-CD1 3.95Å; L444-I666 HydrophobicContact CD1-CG1 4.26Å; L444-I677 HydrophobicContact CB-CD1 3.77Å; L444-I677 HydrophobicContact CD1-CD1 3.41Å; L444-I677 VanDerWaalsContact CD1-CD1 3.41Å; L444-I677 HydrophobicContact CG-CD1 4.19Å |
| 445 | D | 89.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | 179 | -67.6 | -27.4 | 0 | 0 | 0 | 111.7 | M438 T439 G440 I441 K447 T448 G449 | M438-D445 HydrophobicContact SD-CB 4.02Å; T439-D445 WeakPolarHBondContact CB-OD1 3.32Å; T439-D445 PolarHBondContact N-OD1 2.77Å; T439-D445 PolarHBondContact N-OD2 2.86Å; T439-D445 VanDerWaalsContact N-OD2 3.17Å; T439-D445 PolarHBondContact OG1-OD1 3.1Å; T439-D445 PolarHBondContact OG1-OD2 3.44Å; G440-D445 WeakPolarHBondContact CA-OD2 3.4Å; G440-D445 PolarHBondContact N-OD2 3.38Å; I441-D445 PolarHBondContact N-OD2 3.33Å; I441-D445 PolarHBondContact O-N 3.29Å; D445-K447 VanDerWaalsContact C-N 3.27Å; D445-K447 PolarHBondContact O-N 2.99Å; D445-T448 PolarHBondContact O-N 2.88Å; D445-G449 VanDerWaalsContact O-CA 3.3Å; D445-G449 WeakPolarHBondContact O-CA 3.27Å; D445-G449 PolarHBondContact O-N 3.43Å |
| 446 | A | 87.4 | Confident | 88.8 | Confident | 89 Ų | 89 | 32.5 Ų | 32.5 | 74% | 0.736 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.6 | -31 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D442 L444 | D442-A446 WeakPolarHBondContact O-CB 3.26Å; D442-A446 PolarHBondContact O-N 3.24Å; L444-A446 VanDerWaalsContact C-N 3.29Å; L444-A446 PolarHBondContact O-N 3.08Å |
| 447 | K | 87.1 | Confident | 89.5 | Confident | 72 Ų | 72 | 32 Ų | 32 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -87.5 | -35.1 | 177.6 | -77.1 | -170.9 | -179.8 | -67 | 0 | 113.1 | E443 L444 D445 I666 I677 | E443-K447 PolarHBondContact O-N 2.96Å; L444-K447 CarbonylContact O-C 3.6Å; L444-K447 PolarHBondContact O-N 2.85Å; D445-K447 VanDerWaalsContact C-N 3.27Å; D445-K447 PolarHBondContact O-N 2.99Å; K447-I666 HydrophobicContact CB-CD1 3.76Å; K447-I666 HydrophobicContact CD-CD1 3.85Å; K447-I666 HydrophobicContact CG-CD1 4.48Å; K447-I677 HydrophobicContact CD-CD1 4Å; K447-I677 HydrophobicContact CD-CG1 3.83Å |
| 448 | T | 87.1 | Confident | 89.8 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -95 | -26.7 | -173 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | L444 D445 G450 I642 I666 Q669 | L444-T448 HydrophobicContact CD1-CG2 3.7Å; L444-T448 HydrophobicContact CG-CG2 4.16Å; L444-T448 WeakPolarHBondContact O-CG2 3.47Å; L444-T448 PolarHBondContact O-N 3Å; L444-T448 PolarHBondContact O-OG1 3.34Å; D445-T448 PolarHBondContact O-N 2.88Å; T448-G450 VanDerWaalsContact C-N 3.27Å; T448-G450 PolarHBondContact OG1-N 2.89Å; T448-G450 VanDerWaalsContact OG1-N 3.14Å; T448-I642 HydrophobicContact CG2-CD1 4.46Å; T448-I666 HydrophobicContact CG2-CD1 4.13Å; T448-Q669 VanDerWaalsContact CA-NE2 3.27Å; T448-Q669 PolarHBondContact O-NE2 3.46Å |
| 449 | G | 84.6 | Confident | 90 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 43% | 0.433 | 18% | 0.178 | S | C | . | . | trans | 75.1 | 15.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T436 D445 | T436-G449 WeakPolarHBondContact CB-O 3.36Å; T436-G449 PolarHBondContact OG1-O 3.44Å; D445-G449 VanDerWaalsContact O-CA 3.3Å; D445-G449 WeakPolarHBondContact O-CA 3.27Å; D445-G449 PolarHBondContact O-N 3.43Å | ||
| 450 | G | 87.3 | Confident | 90.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 86.4 | -171.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | L437 T448 | L437-G450 CarbonylContact O-C 3.59Å; L437-G450 WeakPolarHBondContact O-CA 3.37Å; T448-G450 VanDerWaalsContact C-N 3.27Å; T448-G450 PolarHBondContact OG1-N 2.89Å; T448-G450 VanDerWaalsContact OG1-N 3.14Å |
| 451 | M | 90.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -106.1 | 124 | 178.5 | -58.2 | 176.6 | -75 | 0 | 0 | 109.8 | T436 L437 T439 V457 L568 P606 I608 | T436-M451 CarbonylContact C-O 3.59Å; T436-M451 WeakPolarHBondContact CA-O 3.39Å; L437-M451 HydrophobicContact CB-CB 4.48Å; L437-M451 HydrophobicContact CB-CE 4.35Å; L437-M451 HydrophobicContact CD2-CE 3.82Å; L437-M451 HydrophobicContact CG-CE 4.05Å; L437-M451 PolarHBondContact N-O 3.02Å; L437-M451 PolarHBondContact O-N 2.71Å; T439-M451 HydrophobicContact CG2-CE 3.87Å; T439-M451 HydrophobicContact CG2-CG 4.19Å; T439-M451 HydrophobicContact CG2-SD 4.14Å; M451-V457 HydrophobicContact CG-CG2 4.2Å; M451-V457 HydrophobicContact SD-CG2 4.12Å; M451-L568 HydrophobicContact CE-CD1 4.32Å; M451-P606 HydrophobicContact CB-CB 3.65Å; M451-P606 HydrophobicContact CB-CG 4.04Å; M451-P606 HydrophobicContact SD-CB 4.36Å; M451-I608 HydrophobicContact SD-CD1 4.03Å; M451-I608 HydrophobicContact SD-CG1 4.2Å |
| 452 | E | 87.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 28.2 Ų | 28.2 | 23% | 0.229 | 17% | 0.171 | C | C | . | . | trans | -80.1 | 150.4 | -180 | -50.9 | -143.5 | 130.4 | 0 | 0 | 111.6 | R423 R427 T436 G454 D455 | R423-E452 IonicContact NH2-OE1 2.9Å; R423-E452 PolarHBondContact NH2-OE1 3.41Å; R423-E452 IonicContact NH2-OE2 3.76Å; R423-E452 PolarHBondContact NH2-OE2 3.49Å; R427-E452 IonicContact NH2-OE1 3.3Å; R427-E452 PolarHBondContact NH2-OE1 3.04Å; T436-E452 HydrophobicContact CG2-CB 4.34Å; T436-E452 HydrophobicContact CG2-CG 3.68Å; E452-G454 PolarHBondContact O-N 3.11Å; E452-D455 WeakPolarHBondContact CB-OD2 3.36Å; E452-D455 PolarHBondContact N-OD2 3.16Å; E452-D455 VanDerWaalsContact O-CB 3.29Å; E452-D455 WeakPolarHBondContact O-CB 3.41Å; E452-D455 PolarHBondContact O-N 3.2Å | ||
| 453 | P | 87.3 | Confident | 90.2 | Very high | 74 Ų | 74 | 24.9 Ų | 24.9 | 48% | 0.481 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 122.5 | 168.6 | -30.4 | 38.2 | 0 | 0 | 0 | 111.9 | G604 | P453-G604 WeakPolarHBondContact CB-O 3.15Š|
| 454 | G | 88.6 | Confident | 90 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -0.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E452 K597 A600 F605 | E452-G454 PolarHBondContact O-N 3.11Å; G454-K597 PolarHBondContact O-NZ 3.36Å; G454-A600 WeakPolarHBondContact CA-O 3.25Å; G454-F605 PolarHBondContact N-O 3.12Å; G454-F605 VanDerWaalsContact N-O 3.11Å |
| 455 | D | 93 | Very high | 90 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | trans | -69.8 | 138.5 | 173 | -79.1 | -15.9 | 0 | 0 | 0 | 111.9 | E452 P606 L607 D641 | E452-D455 WeakPolarHBondContact CB-OD2 3.36Å; E452-D455 PolarHBondContact N-OD2 3.16Å; E452-D455 VanDerWaalsContact O-CB 3.29Å; E452-D455 WeakPolarHBondContact O-CB 3.41Å; E452-D455 PolarHBondContact O-N 3.2Å; D455-P606 WeakPolarHBondContact O-CA 3.39Å; D455-L607 PolarHBondContact O-N 2.91Å; D455-D641 WeakPolarHBondContact CA-OD2 3.38Å; D455-D641 HydrophobicContact CB-CB 4.32Å | ||
| 456 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 109.3 | 169.3 | 179.1 | 61.4 | 0 | 0 | 0 | 108.7 | F458 L596 K597 L607 A609 D639 D641 | L456-F458 HydrophobicContact CD1-CE2 4.3Å; L456-F458 HydrophobicContact CD2-CE2 3.6Å; L456-F458 HydrophobicContact CD2-CZ 4.15Å; L456-F458 HydrophobicContact CG-CD2 4.21Å; L456-F458 HydrophobicContact CG-CE2 3.71Å; L456-F458 HydrophobicContact CG-CZ 4.41Å; L456-L596 HydrophobicContact CD1-CB 4.15Å; L456-L596 HydrophobicContact CD2-CB 4.45Å; L456-K597 HydrophobicContact CB-CD 3.83Å; L456-K597 HydrophobicContact CD2-CB 3.92Å; L456-K597 HydrophobicContact CD2-CD 4.49Å; L456-L607 HydrophobicContact CD1-CB 4.29Å; L456-L607 HydrophobicContact CD1-CD2 3.51Å; L456-L607 HydrophobicContact CD1-CG 4.45Å; L456-A609 HydrophobicContact CD1-CB 4.33Å; L456-D639 HydrophobicContact CD2-CB 4.48Å; L456-D641 PolarHBondContact N-OD2 3.23Å; L456-D641 PolarHBondContact O-N 2.84Å |
| 457 | V | 94.5 | Very high | 90.3 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.6 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | M451 L607 I608 A609 I642 L644 | M451-V457 HydrophobicContact CG-CG2 4.2Å; M451-V457 HydrophobicContact SD-CG2 4.12Å; V457-L607 PolarHBondContact N-O 2.83Å; V457-I608 HydrophobicContact CB-CG1 4.06Å; V457-I608 HydrophobicContact CG1-CG1 4.39Å; V457-I608 CarbonylContact O-C 3.51Å; V457-I608 VanDerWaalsContact O-CA 3.31Å; V457-I608 WeakPolarHBondContact O-CA 3.3Å; V457-A609 PolarHBondContact O-N 2.92Å; V457-I642 WeakPolarHBondContact CA-O 3.02Å; V457-I642 HydrophobicContact CB-CB 4.48Å; V457-I642 HydrophobicContact CG1-CB 4.12Å; V457-I642 HydrophobicContact CG1-CG2 4.27Å; V457-I642 HydrophobicContact CG2-CB 4.14Å; V457-I642 HydrophobicContact CG2-CD1 4.26Å; V457-I642 HydrophobicContact CG2-CG1 4.44Å; V457-L644 HydrophobicContact CG1-CD1 4.4Å |
| 458 | F | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.1 | 173.3 | -83.1 | -82.6 | 0 | 0 | 0 | 111.6 | L456 L574 A609 I636 A640 I642 I643 L644 | L456-F458 HydrophobicContact CD1-CE2 4.3Å; L456-F458 HydrophobicContact CD2-CE2 3.6Å; L456-F458 HydrophobicContact CD2-CZ 4.15Å; L456-F458 HydrophobicContact CG-CD2 4.21Å; L456-F458 HydrophobicContact CG-CE2 3.71Å; L456-F458 HydrophobicContact CG-CZ 4.41Å; F458-L574 HydrophobicContact CE1-CD1 3.56Å; F458-L574 HydrophobicContact CZ-CD1 3.76Å; F458-A609 WeakPolarHBondContact CA-O 3.48Å; F458-A609 HydrophobicContact CD1-CB 3.92Å; F458-A609 WeakPolarHBondContact CD1-O 3.27Å; F458-A609 HydrophobicContact CE1-CB 3.59Å; F458-A609 HydrophobicContact CZ-CB 4.11Å; F458-I636 HydrophobicContact CD1-CG2 4.06Å; F458-I636 HydrophobicContact CD2-CG2 3.89Å; F458-I636 HydrophobicContact CE1-CG2 3.89Å; F458-I636 HydrophobicContact CE2-CG2 3.68Å; F458-I636 HydrophobicContact CG-CG2 4.05Å; F458-I636 HydrophobicContact CZ-CG2 3.69Å; F458-A640 HydrophobicContact CD2-CB 3.55Å; F458-A640 HydrophobicContact CE2-CB 4.03Å; F458-I642 PolarHBondContact N-O 2.99Å; F458-I643 HydrophobicContact CB-CG1 4.34Å; F458-I643 HydrophobicContact CB-CG2 4.44Å; F458-L644 PolarHBondContact O-N 3.45Å |
| 459 | I | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 113.8 | 166.4 | -60.5 | 172.6 | 0 | 0 | 0 | 107.7 | L470 I474 I608 A609 L610 S611 L644 L646 | I459-L470 HydrophobicContact CD1-CD2 4.13Å; I459-L470 HydrophobicContact CD1-CG 4.29Å; I459-L470 HydrophobicContact CG2-CD2 3.98Å; I459-I474 HydrophobicContact CD1-CD1 4.1Å; I459-I608 HydrophobicContact CD1-CG2 3.69Å; I459-I608 HydrophobicContact CG1-CG2 4.07Å; I459-A609 PolarHBondContact N-O 3.24Å; I459-A609 VanDerWaalsContact N-O 3.11Å; I459-L610 HydrophobicContact CB-CD2 3.59Å; I459-L610 HydrophobicContact CD1-CD2 4.11Å; I459-L610 HydrophobicContact CG1-CD2 4.3Å; I459-L610 HydrophobicContact CG2-CD2 4.09Å; I459-L610 WeakPolarHBondContact O-CA 3.17Å; I459-S611 PolarHBondContact O-N 3.41Å; I459-L644 CarbonylContact C-O 3.54Å; I459-L644 WeakPolarHBondContact CA-O 3.42Å; I459-L644 HydrophobicContact CG1-CB 4.29Å; I459-L644 HydrophobicContact CG1-CD1 4.21Å; I459-L646 HydrophobicContact CG2-CD1 4.39Å |
| 460 | A | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S611 L613 L630 L644 M645 L646 | A460-S611 VanDerWaalsContact CA-O 3.31Å; A460-S611 WeakPolarHBondContact CA-O 3.26Å; A460-L613 HydrophobicContact CB-CD2 3.75Å; A460-L613 HydrophobicContact CB-CG 4.22Å; A460-L630 HydrophobicContact CB-CD2 3.44Å; A460-L630 VanDerWaalsContact CB-CD2 3.44Å; A460-L644 PolarHBondContact N-O 3.26Å; A460-M645 HydrophobicContact CB-CG 4.41Å; A460-M645 VanDerWaalsContact O-CA 3.3Å; A460-M645 WeakPolarHBondContact O-CA 3.13Å; A460-L646 PolarHBondContact O-N 2.89Å; A460-L646 VanDerWaalsContact O-N 3.07Å |
| 461 | A | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 167.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | M465 K467 S611 L613 L646 | A461-M465 HydrophobicContact CB-CB 3.78Å; A461-M465 HydrophobicContact CB-CG 4.42Å; A461-K467 HydrophobicContact CB-CB 4.04Å; A461-S611 PolarHBondContact N-O 3.46Å; A461-L613 PolarHBondContact O-N 2.94Å; A461-L613 VanDerWaalsContact O-N 3.09Å; A461-L646 HydrophobicContact CB-CB 3.81Å; A461-L646 HydrophobicContact CB-CD1 4.33Å |
| 462 | R | 90.9 | Very high | 91.9 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | trans | -73.6 | 157.8 | 161.9 | -72 | -68.1 | -68.5 | 149 | 2.7 | 110 | M465 L613 V617 E618 | R462-M465 HydrophobicContact CB-CE 4.31Å; R462-M465 HydrophobicContact CB-CG 3.91Å; R462-M465 WeakPolarHBondContact O-CB 3.33Å; R462-M465 WeakPolarHBondContact O-CG 3.28Å; R462-M465 PolarHBondContact O-N 3.33Å; R462-L613 HydrophobicContact CG-CB 4.35Å; R462-L613 PolarHBondContact NH1-O 3.22Å; R462-V617 HydrophobicContact CG-CG1 3.62Å; R462-E618 IonicContact CZ-OE1 2.73Å; R462-E618 IonicContact NE-OE1 3.54Å; R462-E618 PolarHBondContact NE-OE1 3.47Å; R462-E618 VanDerWaalsContact NH2-CD 3.3Å; R462-E618 IonicContact NH2-OE1 2.69Å; R462-E618 PolarHBondContact NH2-OE1 2.76Å; R462-E618 IonicContact NH2-OE2 3.46Å; R462-E618 PolarHBondContact NH2-OE2 2.89Å | ||
| 463 | P | 88.2 | Confident | 92.2 | Very high | 59 Ų | 59 | 18.6 Ų | 18.6 | 38% | 0.383 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 144.5 | 171.4 | -28.3 | 36.9 | 0 | 0 | 0 | 112 | M465 | P463-M465 PolarHBondContact O-N 3.2Å; P463-M465 VanDerWaalsContact O-N 3.17Å |
| 464 | S | 86.1 | Confident | 92.5 | Very high | 110 Ų | 110 | 15.1 Ų | 15.1 | 77% | 0.769 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 7.9 | 177.9 | -49.1 | 0 | 0 | 0 | 0 | 116.7 | R648 | S464-R648 PolarHBondContact O-NH1 3.31Å; S464-R648 VanDerWaalsContact O-NH1 3.15Å |
| 465 | M | 91.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -80.1 | -13.2 | 174.5 | -69.2 | -65 | 176 | 0 | 0 | 114.2 | A461 R462 P463 L646 R648 V651 Y652 | A461-M465 HydrophobicContact CB-CB 3.78Å; A461-M465 HydrophobicContact CB-CG 4.42Å; R462-M465 HydrophobicContact CB-CE 4.31Å; R462-M465 HydrophobicContact CB-CG 3.91Å; R462-M465 WeakPolarHBondContact O-CB 3.33Å; R462-M465 WeakPolarHBondContact O-CG 3.28Å; R462-M465 PolarHBondContact O-N 3.33Å; P463-M465 PolarHBondContact O-N 3.2Å; P463-M465 VanDerWaalsContact O-N 3.17Å; M465-L646 HydrophobicContact CB-CB 4.49Å; M465-R648 WeakPolarHBondContact O-CD 3.4Å; M465-R648 HydrophobicContact SD-CB 3.98Å; M465-V651 HydrophobicContact CE-CB 3.85Å; M465-V651 HydrophobicContact CE-CG1 3.67Å; M465-V651 HydrophobicContact CE-CG2 4.2Å; M465-V651 HydrophobicContact SD-CB 4.26Å; M465-V651 HydrophobicContact SD-CG1 4.42Å; M465-V651 HydrophobicContact SD-CG2 3.94Å; M465-Y652 HydrophobicContact CE-CD2 4.24Å; M465-Y652 HydrophobicContact CE-CE1 4.22Å; M465-Y652 HydrophobicContact CE-CE2 3.33Å; M465-Y652 WeakPolarHBondContact CE-OH 3.19Å |
| 466 | G | 89.8 | Confident | 92.9 | Very high | 13 Ų | 13 | 15.8 Ų | 15.8 | 13% | 0.134 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 101.7 | 24.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T468 E469 L470 L646 F686 | G466-T468 PolarHBondContact O-N 3.42Å; G466-E469 PolarHBondContact O-N 3.2Å; G466-L470 PolarHBondContact O-N 2.95Å; G466-L646 WeakPolarHBondContact O-CD1 3.22Å; G466-F686 WeakPolarHBondContact O-CE2 3.34Å |
| 467 | K | 92.2 | Very high | 92.8 | Very high | 24 Ų | 24 | 17.3 Ų | 17.3 | 10% | 0.104 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -51.7 | -51.5 | 178.9 | 69.1 | 179.7 | -175 | 161.5 | 0 | 113 | A461 A471 E491 D572 L610 | A461-K467 HydrophobicContact CB-CB 4.04Å; K467-A471 PolarHBondContact O-N 2.78Å; K467-E491 IonicContact NZ-OE2 3.03Å; K467-E491 PolarHBondContact NZ-OE2 3.39Å; K467-D572 IonicContact NZ-OD1 3.99Å; K467-L610 HydrophobicContact CG-CD1 4.32Å |
| 468 | T | 92.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | -177.2 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | G466 L470 A471 L472 I497 D572 | G466-T468 PolarHBondContact O-N 3.42Å; T468-L470 PolarHBondContact O-N 3.2Å; T468-A471 WeakPolarHBondContact O-CB 3.37Å; T468-A471 PolarHBondContact O-N 2.92Å; T468-A471 VanDerWaalsContact O-N 3.15Å; T468-L472 HydrophobicContact CG2-CD1 4.32Å; T468-L472 HydrophobicContact CG2-CG 4.42Å; T468-L472 WeakPolarHBondContact O-CG 3.48Å; T468-L472 PolarHBondContact O-N 2.97Å; T468-I497 HydrophobicContact CG2-CD1 3.95Å; T468-D572 VanDerWaalsContact CG2-OD2 3.24Å; T468-D572 WeakPolarHBondContact CG2-OD2 3.27Å; T468-D572 PolarHBondContact OG1-OD2 3.47Å |
| 469 | E | 93.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.5 | -164.2 | 68.1 | -147.9 | 0 | 0 | 112.9 | G466 A471 L472 D473 R500 G684 H685 F686 | G466-E469 PolarHBondContact O-N 3.2Å; E469-A471 VanDerWaalsContact C-N 3.3Å; E469-A471 PolarHBondContact O-N 2.9Å; E469-L472 PolarHBondContact O-N 3.01Å; E469-D473 WeakPolarHBondContact O-CB 3.27Å; E469-D473 PolarHBondContact O-N 3.48Å; E469-R500 IonicContact OE2-NH1 3.26Å; E469-R500 PolarHBondContact OE2-NH1 2.79Å; E469-G684 VanDerWaalsContact CG-O 3.22Å; E469-G684 WeakPolarHBondContact CG-O 3.01Å; E469-H685 IonicContact OE1-CE1 3.19Å; E469-H685 IonicContact OE1-CG 2.59Å; E469-H685 IonicContact OE1-ND1 2.87Å; E469-H685 PolarHBondContact OE1-ND1 2.9Å; E469-F686 HydrophobicContact CB-CD2 4.16Å; E469-F686 HydrophobicContact CB-CE2 3.97Å; E469-F686 HydrophobicContact CG-CD2 3.94Å; E469-F686 HydrophobicContact CG-CE2 4.22Å |
| 470 | L | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 174 | 177.3 | 63.4 | 0 | 0 | 0 | 111 | I441 I459 G466 T468 D473 I474 L646 I664 F686 | I441-L470 HydrophobicContact CD1-CD1 3.95Å; I459-L470 HydrophobicContact CD1-CD2 4.13Å; I459-L470 HydrophobicContact CD1-CG 4.29Å; I459-L470 HydrophobicContact CG2-CD2 3.98Å; G466-L470 PolarHBondContact O-N 2.95Å; T468-L470 PolarHBondContact O-N 3.2Å; L470-D473 PolarHBondContact O-N 2.97Å; L470-I474 HydrophobicContact CG-CD1 4.36Å; L470-I474 WeakPolarHBondContact O-CG1 3.38Å; L470-I474 PolarHBondContact O-N 2.86Å; L470-I474 VanDerWaalsContact O-N 3.13Å; L470-L646 HydrophobicContact CB-CD1 4.03Å; L470-L646 HydrophobicContact CD2-CD1 4.12Å; L470-L646 HydrophobicContact CD2-CD2 3.78Å; L470-L646 HydrophobicContact CD2-CG 4.08Å; L470-I664 HydrophobicContact CD1-CD1 3.74Å; L470-I664 HydrophobicContact CD2-CD1 4.22Å; L470-I664 HydrophobicContact CD2-CG2 4.41Å; L470-F686 HydrophobicContact CB-CD2 4.24Å; L470-F686 HydrophobicContact CB-CE2 3.8Å; L470-F686 HydrophobicContact CB-CZ 4.3Å |
| 471 | A | 95 | Very high | 92.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K467 T468 E469 D473 I474 I475 V570 L610 | K467-A471 PolarHBondContact O-N 2.78Å; T468-A471 WeakPolarHBondContact O-CB 3.37Å; T468-A471 PolarHBondContact O-N 2.92Å; T468-A471 VanDerWaalsContact O-N 3.15Å; E469-A471 VanDerWaalsContact C-N 3.3Å; E469-A471 PolarHBondContact O-N 2.9Å; A471-D473 VanDerWaalsContact C-N 3.32Å; A471-D473 PolarHBondContact O-N 2.86Å; A471-I474 WeakPolarHBondContact O-CB 3.33Å; A471-I474 PolarHBondContact O-N 3.4Å; A471-I474 VanDerWaalsContact O-N 3.13Å; A471-I475 VanDerWaalsContact O-CG1 3.3Å; A471-I475 WeakPolarHBondContact O-CG1 3.44Å; A471-I475 PolarHBondContact O-N 3.4Å; A471-V570 HydrophobicContact CB-CG1 4.32Å; A471-L610 HydrophobicContact CB-CD1 4.28Å; A471-L610 HydrophobicContact CB-CD2 4.1Å |
| 472 | L | 94.8 | Very high | 92 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 176.9 | -63.3 | 178.7 | 0 | 0 | 0 | 112.4 | T468 E469 I474 I475 D476 L487 I497 R500 M501 | T468-L472 HydrophobicContact CG2-CD1 4.32Å; T468-L472 HydrophobicContact CG2-CG 4.42Å; T468-L472 WeakPolarHBondContact O-CG 3.48Å; T468-L472 PolarHBondContact O-N 2.97Å; E469-L472 PolarHBondContact O-N 3.01Å; L472-I474 VanDerWaalsContact C-N 3.27Å; L472-I474 PolarHBondContact O-N 2.74Å; L472-I475 HydrophobicContact CD2-CD1 4.3Å; L472-I475 PolarHBondContact O-N 3.18Å; L472-D476 PolarHBondContact O-N 2.94Å; L472-L487 HydrophobicContact CD2-CD2 4.32Å; L472-I497 HydrophobicContact CD1-CD1 4.47Å; L472-I497 HydrophobicContact CD1-CG2 4.33Å; L472-I497 HydrophobicContact CD2-CG2 3.61Å; L472-R500 HydrophobicContact CD1-CB 3.75Å; L472-M501 HydrophobicContact CD1-CG 4.33Å; L472-M501 HydrophobicContact CD2-CG 4.13Å; L472-M501 HydrophobicContact CD2-SD 4.21Å |
| 473 | D | 94.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -31.3 | 175.2 | -171.6 | 48.7 | 0 | 0 | 0 | 112.5 | E469 L470 A471 K477 R679 | E469-D473 WeakPolarHBondContact O-CB 3.27Å; E469-D473 PolarHBondContact O-N 3.48Å; L470-D473 PolarHBondContact O-N 2.97Å; A471-D473 VanDerWaalsContact C-N 3.32Å; A471-D473 PolarHBondContact O-N 2.86Å; D473-K477 WeakPolarHBondContact O-CG 3.44Å; D473-K477 PolarHBondContact O-NZ 3.29Å; D473-K477 IonicContact OD1-NZ 3.8Å; D473-K477 PolarHBondContact OD1-NZ 3.41Å; D473-K477 IonicContact OD2-NZ 2.86Å; D473-K477 PolarHBondContact OD2-NZ 2.59Å; D473-R679 IonicContact OD2-NH2 3.35Å; D473-R679 PolarHBondContact OD2-NH2 2.81Å |
| 474 | I | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.2 | -44.4 | 172.4 | -65.6 | 166.8 | 0 | 0 | 0 | 110.4 | I441 I459 L470 A471 L472 D476 K477 V478 L568 I608 | I441-I474 HydrophobicContact CD1-CG1 4.21Å; I459-I474 HydrophobicContact CD1-CD1 4.1Å; L470-I474 HydrophobicContact CG-CD1 4.36Å; L470-I474 WeakPolarHBondContact O-CG1 3.38Å; L470-I474 PolarHBondContact O-N 2.86Å; L470-I474 VanDerWaalsContact O-N 3.13Å; A471-I474 WeakPolarHBondContact O-CB 3.33Å; A471-I474 PolarHBondContact O-N 3.4Å; A471-I474 VanDerWaalsContact O-N 3.13Å; L472-I474 VanDerWaalsContact C-N 3.27Å; L472-I474 PolarHBondContact O-N 2.74Å; I474-D476 VanDerWaalsContact C-N 3.32Å; I474-D476 PolarHBondContact O-N 3.46Å; I474-K477 PolarHBondContact O-N 2.96Å; I474-V478 HydrophobicContact CG2-CG2 4.02Å; I474-V478 WeakPolarHBondContact O-CB 3.45Å; I474-V478 VanDerWaalsContact O-CG2 3.3Å; I474-V478 WeakPolarHBondContact O-CG2 3.49Å; I474-V478 PolarHBondContact O-N 3.5Å; I474-L568 HydrophobicContact CG2-CD2 4.27Å; I474-I608 HydrophobicContact CD1-CD1 4.3Å; I474-I608 HydrophobicContact CG2-CD1 4.09Å |
| 475 | I | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 178.9 | -65.6 | 180 | 0 | 0 | 0 | 110.9 | A471 L472 K477 V478 T479 V485 L487 M501 I539 V570 | A471-I475 VanDerWaalsContact O-CG1 3.3Å; A471-I475 WeakPolarHBondContact O-CG1 3.44Å; A471-I475 PolarHBondContact O-N 3.4Å; L472-I475 HydrophobicContact CD2-CD1 4.3Å; L472-I475 PolarHBondContact O-N 3.18Å; I475-K477 PolarHBondContact O-N 3.4Å; I475-V478 PolarHBondContact O-N 2.77Å; I475-T479 HydrophobicContact CG2-CG2 4.34Å; I475-T479 WeakPolarHBondContact O-CB 3.4Å; I475-T479 WeakPolarHBondContact O-CG2 3.39Å; I475-T479 PolarHBondContact O-N 2.73Å; I475-T479 PolarHBondContact O-OG1 3.37Å; I475-V485 HydrophobicContact CD1-CG1 4.06Å; I475-V485 HydrophobicContact CG1-CG1 3.94Å; I475-V485 HydrophobicContact CG2-CB 4.14Å; I475-V485 HydrophobicContact CG2-CG1 4.06Å; I475-V485 HydrophobicContact CG2-CG2 4.18Å; I475-L487 HydrophobicContact CD1-CB 4.41Å; I475-L487 HydrophobicContact CD1-CD1 4.29Å; I475-L487 HydrophobicContact CD1-CD2 4.28Å; I475-M501 HydrophobicContact CB-CE 4.41Å; I475-M501 HydrophobicContact CG2-CE 3.86Å; I475-I539 HydrophobicContact CG2-CD1 4.16Å; I475-I539 HydrophobicContact CG2-CG1 4.04Å; I475-I539 HydrophobicContact CG2-CG2 4.3Å; I475-V570 HydrophobicContact CD1-CB 4.27Å; I475-V570 HydrophobicContact CD1-CG1 4.47Å; I475-V570 HydrophobicContact CD1-CG2 3.92Å; I475-V570 HydrophobicContact CG1-CG2 4.05Å |
| 476 | D | 93.7 | Very high | 93 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -49 | 177.7 | -176.4 | 26.7 | 0 | 0 | 0 | 111.1 | L472 I474 V478 T479 E480 R537 | L472-D476 PolarHBondContact O-N 2.94Å; I474-D476 VanDerWaalsContact C-N 3.32Å; I474-D476 PolarHBondContact O-N 3.46Å; D476-V478 PolarHBondContact O-N 3.19Å; D476-T479 PolarHBondContact O-N 2.95Å; D476-T479 PolarHBondContact O-OG1 2.9Å; D476-T479 VanDerWaalsContact O-OG1 3.05Å; D476-E480 WeakPolarHBondContact O-CB 3.48Å; D476-E480 PolarHBondContact O-N 3.2Å; D476-R537 PolarHBondContact O-NH1 3.02Å; D476-R537 IonicContact OD1-CZ 3.38Å; D476-R537 IonicContact OD1-NH1 3.97Å; D476-R537 PolarHBondContact OD1-NH1 2.89Å; D476-R537 VanDerWaalsContact OD1-NH1 3.1Å; D476-R537 IonicContact OD1-NH2 2.85Å |
| 477 | K | 93.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 14% | 0.135 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.1 | -35.2 | -179.3 | -64.3 | -172.6 | -165.1 | 70.1 | 0 | 114.1 | G440 I441 D473 I474 I475 E480 Q481 | G440-K477 WeakPolarHBondContact O-CD 3.34Å; I441-K477 HydrophobicContact CG1-CD 4.46Å; D473-K477 WeakPolarHBondContact O-CG 3.44Å; D473-K477 PolarHBondContact O-NZ 3.29Å; D473-K477 IonicContact OD1-NZ 3.8Å; D473-K477 PolarHBondContact OD1-NZ 3.41Å; D473-K477 IonicContact OD2-NZ 2.86Å; D473-K477 PolarHBondContact OD2-NZ 2.59Å; I474-K477 PolarHBondContact O-N 2.96Å; I475-K477 PolarHBondContact O-N 3.4Å; K477-E480 PolarHBondContact O-N 2.87Å; K477-Q481 WeakPolarHBondContact O-CG 3.34Å; K477-Q481 PolarHBondContact O-N 3Å; K477-Q481 PolarHBondContact O-NE2 2.86Å; K477-Q481 VanDerWaalsContact O-NE2 3.12Å |
| 478 | V | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.6 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | L437 I474 I475 D476 E480 Q481 H483 V485 L568 | L437-V478 HydrophobicContact CD1-CG1 4.21Å; L437-V478 HydrophobicContact CD2-CG1 4.2Å; L437-V478 HydrophobicContact CD2-CG2 4.35Å; L437-V478 HydrophobicContact CG-CG2 4.44Å; I474-V478 HydrophobicContact CG2-CG2 4.02Å; I474-V478 WeakPolarHBondContact O-CB 3.45Å; I474-V478 VanDerWaalsContact O-CG2 3.3Å; I474-V478 WeakPolarHBondContact O-CG2 3.49Å; I474-V478 PolarHBondContact O-N 3.5Å; I475-V478 PolarHBondContact O-N 2.77Å; D476-V478 PolarHBondContact O-N 3.19Å; V478-E480 VanDerWaalsContact C-N 3.3Å; V478-E480 PolarHBondContact O-N 2.89Å; V478-Q481 WeakPolarHBondContact O-CB 3.29Å; V478-Q481 PolarHBondContact O-N 3.19Å; V478-H483 HydrophobicContact CG1-CB 3.82Å; V478-H483 PolarHBondContact O-N 2.84Å; V478-V485 HydrophobicContact CB-CG2 4.34Å; V478-V485 HydrophobicContact CG1-CG2 3.76Å; V478-L568 HydrophobicContact CG1-CB 4.44Å; V478-L568 HydrophobicContact CG1-CD2 4.44Å; V478-L568 HydrophobicContact CG2-CD2 4.22Å |
| 479 | T | 93.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.9 | -23 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | I475 D476 Q481 G482 H483 V485 R537 I539 | I475-T479 HydrophobicContact CG2-CG2 4.34Å; I475-T479 WeakPolarHBondContact O-CB 3.4Å; I475-T479 WeakPolarHBondContact O-CG2 3.39Å; I475-T479 PolarHBondContact O-N 2.73Å; I475-T479 PolarHBondContact O-OG1 3.37Å; D476-T479 PolarHBondContact O-N 2.95Å; D476-T479 PolarHBondContact O-OG1 2.9Å; D476-T479 VanDerWaalsContact O-OG1 3.05Å; T479-Q481 VanDerWaalsContact C-N 3.26Å; T479-Q481 PolarHBondContact O-N 3.11Å; T479-G482 PolarHBondContact O-N 3.04Å; T479-G482 VanDerWaalsContact O-N 3.08Å; T479-H483 WeakPolarHBondContact CA-O 3.41Å; T479-H483 WeakPolarHBondContact CG2-O 3.43Å; T479-V485 HydrophobicContact CG2-CB 4.22Å; T479-V485 HydrophobicContact CG2-CG2 3.62Å; T479-R537 PolarHBondContact OG1-NH1 3.48Å; T479-I539 HydrophobicContact CG2-CD1 4.23Å; T479-I539 HydrophobicContact CG2-CG1 3.53Å |
| 480 | E | 90.8 | Very high | 93.1 | Very high | 131 Ų | 131 | 22.7 Ų | 22.7 | 61% | 0.612 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -67.8 | -32.1 | 174.3 | -170.9 | 165.4 | -146.9 | 0 | 0 | 111.1 | D476 K477 V478 G482 R537 | D476-E480 WeakPolarHBondContact O-CB 3.48Å; D476-E480 PolarHBondContact O-N 3.2Å; K477-E480 PolarHBondContact O-N 2.87Å; V478-E480 VanDerWaalsContact C-N 3.3Å; V478-E480 PolarHBondContact O-N 2.89Å; E480-G482 PolarHBondContact O-N 2.75Å; E480-R537 VanDerWaalsContact CB-NH1 3.33Å; E480-R537 IonicContact OE1-NH2 3.1Å |
| 481 | Q | 87.5 | Confident | 92.6 | Very high | 90 Ų | 90 | 27.7 Ų | 27.7 | 42% | 0.421 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -0.3 | 173.1 | -63.3 | 165.4 | 45.3 | 0 | 0 | 112.9 | K477 V478 T479 | K477-Q481 WeakPolarHBondContact O-CG 3.34Å; K477-Q481 PolarHBondContact O-N 3Å; K477-Q481 PolarHBondContact O-NE2 2.86Å; K477-Q481 VanDerWaalsContact O-NE2 3.12Å; V478-Q481 WeakPolarHBondContact O-CB 3.29Å; V478-Q481 PolarHBondContact O-N 3.19Å; T479-Q481 VanDerWaalsContact C-N 3.26Å; T479-Q481 PolarHBondContact O-N 3.11Å |
| 482 | G | 87.7 | Confident | 92.3 | Very high | 50 Ų | 50 | 28.9 Ų | 28.9 | 52% | 0.515 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 1.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T479 E480 | T479-G482 PolarHBondContact O-N 3.04Å; T479-G482 VanDerWaalsContact O-N 3.08Å; E480-G482 PolarHBondContact O-N 2.75Å |
| 483 | H | 91.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 30.3 Ų | 30.3 | 33% | 0.333 | 16% | 0.164 | S | C | . | . | trans | -80.3 | 149.9 | 178.2 | -63.6 | -58.9 | 0 | 0 | 0 | 112.6 | V478 T479 A567 | V478-H483 HydrophobicContact CG1-CB 3.82Å; V478-H483 PolarHBondContact O-N 2.84Å; T479-H483 WeakPolarHBondContact CA-O 3.41Å; T479-H483 WeakPolarHBondContact CG2-O 3.43Å; H483-A567 HydrophobicContact CB-CB 3.85Å | ||
| 484 | G | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 148.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N538 E565 T566 A567 L568 | G484-N538 CarbonylContact C-O 3.59Å; G484-N538 WeakPolarHBondContact CA-O 3.44Å; G484-E565 PolarHBondContact N-O 3.06Å; G484-T566 CarbonylContact O-C 3.58Å; G484-T566 WeakPolarHBondContact O-CA 3.44Å; G484-A567 PolarHBondContact O-N 3.36Å; G484-L568 PolarHBondContact O-N 2.81Å |
| 485 | V | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.7 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | I475 V478 T479 N538 W540 L568 V570 | I475-V485 HydrophobicContact CD1-CG1 4.06Å; I475-V485 HydrophobicContact CG1-CG1 3.94Å; I475-V485 HydrophobicContact CG2-CB 4.14Å; I475-V485 HydrophobicContact CG2-CG1 4.06Å; I475-V485 HydrophobicContact CG2-CG2 4.18Å; V478-V485 HydrophobicContact CB-CG2 4.34Å; V478-V485 HydrophobicContact CG1-CG2 3.76Å; T479-V485 HydrophobicContact CG2-CB 4.22Å; T479-V485 HydrophobicContact CG2-CG2 3.62Å; V485-N538 PolarHBondContact N-O 3.47Å; V485-W540 PolarHBondContact O-N 3.29Å; V485-L568 WeakPolarHBondContact CA-O 3.34Å; V485-L568 HydrophobicContact CG1-CB 4.43Å; V485-L568 HydrophobicContact CG1-CD2 4.37Å; V485-L568 HydrophobicContact CG1-CG 4.38Å; V485-L568 HydrophobicContact CG2-CB 4.16Å; V485-L568 HydrophobicContact CG2-CD2 4.33Å; V485-V570 HydrophobicContact CG1-CG2 4.14Å |
| 486 | L | 96 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.7 | 169.5 | 179.5 | 64.9 | 0 | 0 | 0 | 110.7 | F488 W540 V542 T556 H559 T566 L568 V569 V570 | L486-F488 HydrophobicContact CD2-CE2 3.56Å; L486-F488 HydrophobicContact CD2-CZ 3.78Å; L486-F488 HydrophobicContact CG-CD2 4.39Å; L486-F488 HydrophobicContact CG-CE2 3.83Å; L486-F488 HydrophobicContact CG-CZ 4.3Å; L486-W540 WeakPolarHBondContact CA-O 3.5Å; L486-W540 HydrophobicContact CD1-CB 3.97Å; L486-V542 HydrophobicContact CD1-CG2 4.1Å; L486-T556 HydrophobicContact CD2-CG2 4.37Å; L486-H559 HydrophobicContact CD2-CB 4.09Å; L486-T566 HydrophobicContact CB-CG2 4.09Å; L486-L568 PolarHBondContact N-O 3.37Å; L486-V569 HydrophobicContact CB-CG2 4.38Å; L486-V569 CarbonylContact O-C 3.55Å; L486-V569 WeakPolarHBondContact O-CA 3.33Å; L486-V570 PolarHBondContact O-N 3.35Å |
| 487 | L | 96.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.7 | 178.4 | 173.9 | 64.4 | 0 | 0 | 0 | 111.1 | L472 I475 I497 W540 M541 V542 V570 | L472-L487 HydrophobicContact CD2-CD2 4.32Å; I475-L487 HydrophobicContact CD1-CB 4.41Å; I475-L487 HydrophobicContact CD1-CD1 4.29Å; I475-L487 HydrophobicContact CD1-CD2 4.28Å; L487-I497 HydrophobicContact CD2-CG2 3.88Å; L487-W540 PolarHBondContact N-O 2.81Å; L487-M541 HydrophobicContact CB-CG 4.28Å; L487-M541 HydrophobicContact CD2-CG 4.25Å; L487-M541 HydrophobicContact CD2-SD 4.41Å; L487-M541 CarbonylContact O-C 3.49Å; L487-M541 VanDerWaalsContact O-CA 3.29Å; L487-M541 WeakPolarHBondContact O-CA 3.42Å; L487-V542 PolarHBondContact O-N 3.33Å; L487-V570 CarbonylContact C-O 3.45Å; L487-V570 WeakPolarHBondContact CA-O 3.31Å; L487-V570 HydrophobicContact CD1-CB 3.71Å; L487-V570 HydrophobicContact CD1-CG1 3.65Å |
| 488 | F | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.1 | 165.9 | -66.5 | -91.2 | 0 | 0 | 0 | 109.2 | L486 V542 L547 I552 T555 T556 V569 V570 V571 D572 | L486-F488 HydrophobicContact CD2-CE2 3.56Å; L486-F488 HydrophobicContact CD2-CZ 3.78Å; L486-F488 HydrophobicContact CG-CD2 4.39Å; L486-F488 HydrophobicContact CG-CE2 3.83Å; L486-F488 HydrophobicContact CG-CZ 4.3Å; F488-V542 HydrophobicContact CD1-CB 3.68Å; F488-V542 HydrophobicContact CD1-CG1 3.88Å; F488-V542 HydrophobicContact CD1-CG2 4.09Å; F488-V542 HydrophobicContact CE1-CB 4Å; F488-V542 HydrophobicContact CE1-CG1 4.08Å; F488-V542 HydrophobicContact CE1-CG2 3.92Å; F488-V542 HydrophobicContact CG-CB 4.42Å; F488-L547 HydrophobicContact CD1-CD1 3.84Å; F488-L547 HydrophobicContact CE1-CD1 4.42Å; F488-I552 HydrophobicContact CD1-CG1 4.37Å; F488-I552 HydrophobicContact CD2-CG2 4.33Å; F488-I552 HydrophobicContact CE1-CG1 4.37Å; F488-I552 HydrophobicContact CE1-CG2 4.34Å; F488-I552 HydrophobicContact CE2-CG2 3.97Å; F488-I552 HydrophobicContact CZ-CG2 3.96Å; F488-T555 HydrophobicContact CE1-CG2 4.01Å; F488-T555 HydrophobicContact CZ-CG2 4.12Å; F488-T556 WeakPolarHBondContact CE2-OG1 3.46Å; F488-T556 WeakPolarHBondContact CZ-OG1 3.11Å; F488-V569 HydrophobicContact CD2-CG1 4.11Å; F488-V569 HydrophobicContact CE2-CG1 3.91Å; F488-V570 PolarHBondContact N-O 3.35Å; F488-V571 HydrophobicContact CB-CG1 4.35Å; F488-V571 HydrophobicContact CB-CG2 4.37Å; F488-V571 HydrophobicContact CD2-CG2 4.14Å; F488-D572 PolarHBondContact O-N 3.19Å |
| 489 | T | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.2 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | M492 N494 V542 D543 Q544 | T489-M492 VanDerWaalsContact CG2-O 3.27Å; T489-M492 WeakPolarHBondContact CG2-O 3.35Å; T489-M492 PolarHBondContact OG1-N 3.3Å; T489-M492 PolarHBondContact OG1-O 3.01Å; T489-N494 WeakPolarHBondContact CG2-OD1 3.37Å; T489-V542 PolarHBondContact N-O 3.37Å; T489-D543 HydrophobicContact CG2-CB 4.02Å; T489-D543 WeakPolarHBondContact O-CA 3.49Å; T489-Q544 PolarHBondContact O-N 3.49Å |
| 490 | M | 86.3 | Confident | 91.5 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -114 | -15.9 | -179.3 | -54.5 | -176.9 | 74.9 | 0 | 0 | 112.2 | L547 D572 L576 I577 | M490-L547 HydrophobicContact CE-CB 3.74Å; M490-L547 HydrophobicContact CE-CG 4.31Å; M490-L547 HydrophobicContact SD-CB 4.47Å; M490-D572 PolarHBondContact N-O 2.9Å; M490-L576 HydrophobicContact CB-CB 3.88Å; M490-L576 HydrophobicContact CB-CD1 3.74Å; M490-L576 HydrophobicContact CB-CG 4.48Å; M490-L576 HydrophobicContact CE-CB 4.1Å; M490-L576 WeakPolarHBondContact CE-O 3.48Å; M490-L576 HydrophobicContact SD-CB 4.05Å; M490-I577 HydrophobicContact SD-CG1 3.92Å |
| 491 | E | 84.2 | Confident | 91.6 | Very high | 106 Ų | 106 | 40.2 Ų | 40.2 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -100.1 | -38 | -179.1 | -170.9 | 173.3 | -177.4 | 0 | 0 | 112.7 | K467 Y573 L576 | K467-E491 IonicContact NZ-OE2 3.03Å; K467-E491 PolarHBondContact NZ-OE2 3.39Å; E491-Y573 HydrophobicContact CB-CD1 4.34Å; E491-Y573 HydrophobicContact CB-CE1 4.36Å; E491-Y573 HydrophobicContact CG-CE1 4.4Å; E491-Y573 WeakPolarHBondContact OE2-CD1 3.45Å; E491-Y573 WeakPolarHBondContact OE2-CE1 3.45Å; E491-L576 HydrophobicContact CB-CD1 3.86Å |
| 492 | M | 88.2 | Confident | 91.9 | Very high | 29 Ų | 29 | 37 Ų | 37 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -117.9 | 143.2 | -176 | -67.5 | -170.3 | 56.6 | 0 | 0 | 111.1 | T489 Q496 I497 R500 | T489-M492 VanDerWaalsContact CG2-O 3.27Å; T489-M492 WeakPolarHBondContact CG2-O 3.35Å; T489-M492 PolarHBondContact OG1-N 3.3Å; T489-M492 PolarHBondContact OG1-O 3.01Å; M492-Q496 HydrophobicContact CE-CB 3.37Å; M492-Q496 HydrophobicContact CE-CG 4.38Å; M492-I497 HydrophobicContact CB-CD1 3.99Å; M492-I497 HydrophobicContact CB-CG1 4.23Å; M492-I497 HydrophobicContact CE-CD1 4.33Å; M492-I497 HydrophobicContact SD-CD1 4.17Å; M492-R500 VanDerWaalsContact CE-NE 3.31Å |
| 493 | A | 90.2 | Very high | 92.2 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 31% | 0.306 | 18% | 0.178 | S | C | . | . | trans | -69.3 | 152.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I495 Q496 I497 D543 | A493-I495 HydrophobicContact CB-CG2 4.22Å; A493-I495 PolarHBondContact O-N 3.39Å; A493-I495 VanDerWaalsContact O-N 3.09Å; A493-Q496 HydrophobicContact CB-CG 4.44Å; A493-Q496 PolarHBondContact O-N 3.43Å; A493-I497 PolarHBondContact O-N 3.18Å; A493-D543 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 494 | N | 91.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -49.8 | -40.4 | 179.9 | -84 | -14 | 0 | 0 | 0 | 113.1 | T489 Q496 I497 G498 M541 D543 | T489-N494 WeakPolarHBondContact CG2-OD1 3.37Å; N494-Q496 VanDerWaalsContact C-N 3.34Å; N494-Q496 PolarHBondContact O-N 2.85Å; N494-I497 PolarHBondContact O-N 2.75Å; N494-G498 PolarHBondContact O-N 2.9Å; N494-M541 HydrophobicContact CB-CE 4.34Å; N494-M541 WeakPolarHBondContact OD1-CB 3.11Å; N494-D543 HydrophobicContact CB-CB 4.25Å; N494-D543 VanDerWaalsContact CG-CB 3.43Å; N494-D543 PolarHBondContact N-OD2 3.32Å; N494-D543 WeakPolarHBondContact OD1-CB 3.48Å |
| 495 | I | 91.5 | Very high | 92.1 | Very high | 118 Ų | 118 | 33.2 Ų | 33.2 | 61% | 0.605 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -63.1 | -38.9 | -179.9 | -169.5 | 61.6 | 0 | 0 | 0 | 112.6 | A493 I497 G498 E499 | A493-I495 HydrophobicContact CB-CG2 4.22Å; A493-I495 PolarHBondContact O-N 3.39Å; A493-I495 VanDerWaalsContact O-N 3.09Å; I495-I497 VanDerWaalsContact C-N 3.33Å; I495-I497 PolarHBondContact O-N 2.9Å; I495-G498 PolarHBondContact O-N 2.86Å; I495-E499 WeakPolarHBondContact O-CG 3.29Å; I495-E499 PolarHBondContact O-N 3.09Å |
| 496 | Q | 91.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 33.5 Ų | 33.5 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -72.1 | -31.5 | -178.6 | -59.4 | 179 | -42.9 | 0 | 0 | 111.6 | M492 A493 N494 R500 | M492-Q496 HydrophobicContact CE-CB 3.37Å; M492-Q496 HydrophobicContact CE-CG 4.38Å; A493-Q496 HydrophobicContact CB-CG 4.44Å; A493-Q496 PolarHBondContact O-N 3.43Å; N494-Q496 VanDerWaalsContact C-N 3.34Å; N494-Q496 PolarHBondContact O-N 2.85Å; Q496-R500 WeakPolarHBondContact O-CG 3.34Å; Q496-R500 PolarHBondContact O-N 3.44Å |
| 497 | I | 93 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 170.9 | -63.1 | -60.5 | 0 | 0 | 0 | 109.7 | T468 L472 L487 M492 A493 N494 I495 E499 R500 M501 M541 | T468-I497 HydrophobicContact CG2-CD1 3.95Å; L472-I497 HydrophobicContact CD1-CD1 4.47Å; L472-I497 HydrophobicContact CD1-CG2 4.33Å; L472-I497 HydrophobicContact CD2-CG2 3.61Å; L487-I497 HydrophobicContact CD2-CG2 3.88Å; M492-I497 HydrophobicContact CB-CD1 3.99Å; M492-I497 HydrophobicContact CB-CG1 4.23Å; M492-I497 HydrophobicContact CE-CD1 4.33Å; M492-I497 HydrophobicContact SD-CD1 4.17Å; A493-I497 PolarHBondContact O-N 3.18Å; N494-I497 PolarHBondContact O-N 2.75Å; I495-I497 VanDerWaalsContact C-N 3.33Å; I495-I497 PolarHBondContact O-N 2.9Å; I497-E499 PolarHBondContact O-N 2.9Å; I497-R500 WeakPolarHBondContact O-CB 3.44Å; I497-R500 PolarHBondContact O-N 3.16Å; I497-R500 VanDerWaalsContact O-N 3.11Å; I497-M501 HydrophobicContact CG2-CG 4.48Å; I497-M501 HydrophobicContact CG2-SD 4.35Å; I497-M501 WeakPolarHBondContact O-CG 3.39Å; I497-M501 PolarHBondContact O-N 3.13Å; I497-M541 HydrophobicContact CB-SD 4.12Å; I497-M541 HydrophobicContact CG2-SD 3.78Å |
| 498 | G | 93.3 | Very high | 91.1 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N494 I495 R500 M501 V502 | N494-G498 PolarHBondContact O-N 2.9Å; I495-G498 PolarHBondContact O-N 2.86Å; G498-R500 VanDerWaalsContact C-N 3.3Å; G498-R500 PolarHBondContact O-N 3.01Å; G498-M501 PolarHBondContact O-N 2.98Å; G498-V502 WeakPolarHBondContact O-CG2 3.37Å; G498-V502 PolarHBondContact O-N 3.23Å |
| 499 | E | 92.9 | Very high | 90.8 | Very high | 71 Ų | 71 | 36 Ų | 36 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 175 | -78.5 | 177.8 | 167.5 | 0 | 0 | 112.6 | I495 I497 S503 L513 | I495-E499 WeakPolarHBondContact O-CG 3.29Å; I495-E499 PolarHBondContact O-N 3.09Å; I497-E499 PolarHBondContact O-N 2.9Å; E499-S503 VanDerWaalsContact O-CB 3.26Å; E499-S503 WeakPolarHBondContact O-CB 3.46Å; E499-S503 PolarHBondContact O-N 3.16Å; E499-S503 PolarHBondContact O-OG 3.02Å; E499-L513 HydrophobicContact CB-CD1 3.79Å; E499-L513 HydrophobicContact CG-CD1 4Å; E499-L513 WeakPolarHBondContact O-CD1 3.34Å |
| 500 | R | 92.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 176.3 | -73.5 | 176.7 | -178.7 | -80.2 | -5.7 | 111.8 | E469 L472 M492 Q496 I497 G498 S503 A504 V510 | E469-R500 IonicContact OE2-NH1 3.26Å; E469-R500 PolarHBondContact OE2-NH1 2.79Å; L472-R500 HydrophobicContact CD1-CB 3.75Å; M492-R500 VanDerWaalsContact CE-NE 3.31Å; Q496-R500 WeakPolarHBondContact O-CG 3.34Å; Q496-R500 PolarHBondContact O-N 3.44Å; I497-R500 WeakPolarHBondContact O-CB 3.44Å; I497-R500 PolarHBondContact O-N 3.16Å; I497-R500 VanDerWaalsContact O-N 3.11Å; G498-R500 VanDerWaalsContact C-N 3.3Å; G498-R500 PolarHBondContact O-N 3.01Å; R500-S503 PolarHBondContact O-N 2.87Å; R500-A504 VanDerWaalsContact O-CB 3.31Å; R500-A504 WeakPolarHBondContact O-CB 3.35Å; R500-A504 PolarHBondContact O-N 3.49Å; R500-V510 HydrophobicContact CB-CG2 4.47Å; R500-V510 HydrophobicContact CG-CG1 4.5Å; R500-V510 HydrophobicContact CG-CG2 3.97Å |
| 501 | M | 93.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | -179.8 | -62.4 | -170.4 | 84.4 | 0 | 0 | 111.6 | L472 I475 I497 G498 A504 A505 M534 I539 | L472-M501 HydrophobicContact CD1-CG 4.33Å; L472-M501 HydrophobicContact CD2-CG 4.13Å; L472-M501 HydrophobicContact CD2-SD 4.21Å; I475-M501 HydrophobicContact CB-CE 4.41Å; I475-M501 HydrophobicContact CG2-CE 3.86Å; I497-M501 HydrophobicContact CG2-CG 4.48Å; I497-M501 HydrophobicContact CG2-SD 4.35Å; I497-M501 WeakPolarHBondContact O-CG 3.39Å; I497-M501 PolarHBondContact O-N 3.13Å; G498-M501 PolarHBondContact O-N 2.98Å; M501-A504 PolarHBondContact O-N 3.32Å; M501-A505 VanDerWaalsContact O-CB 3.29Å; M501-A505 WeakPolarHBondContact O-CB 3.39Å; M501-A505 PolarHBondContact O-N 3.41Å; M501-M534 HydrophobicContact CB-CE 4.01Å; M501-M534 HydrophobicContact CB-CG 4.42Å; M501-M534 HydrophobicContact CB-SD 4.1Å; M501-M534 HydrophobicContact CE-CE 3.52Å; M501-M534 HydrophobicContact CE-SD 4.44Å; M501-M534 HydrophobicContact SD-CE 4Å; M501-I539 HydrophobicContact CE-CD1 3.5Å; M501-I539 VanDerWaalsContact CE-CD1 3.5Å; M501-I539 HydrophobicContact SD-CD1 4.06Å |
| 502 | V | 93.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | G498 A505 G506 F527 V531 M534 | G498-V502 WeakPolarHBondContact O-CG2 3.37Å; G498-V502 PolarHBondContact O-N 3.23Å; V502-A505 PolarHBondContact O-N 3.25Å; V502-G506 PolarHBondContact O-N 2.91Å; V502-F527 HydrophobicContact CG1-CD2 3.72Å; V502-F527 HydrophobicContact CG1-CE2 3.66Å; V502-V531 HydrophobicContact CG1-CG2 3.7Å; V502-V531 HydrophobicContact CG2-CG2 4.29Å; V502-M534 HydrophobicContact CG2-CG 4.21Å |
| 503 | S | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 177.2 | -62 | 0 | 0 | 0 | 0 | 112.1 | E499 R500 G506 G507 M508 L513 | E499-S503 VanDerWaalsContact O-CB 3.26Å; E499-S503 WeakPolarHBondContact O-CB 3.46Å; E499-S503 PolarHBondContact O-N 3.16Å; E499-S503 PolarHBondContact O-OG 3.02Å; R500-S503 PolarHBondContact O-N 2.87Å; S503-G506 PolarHBondContact O-N 2.7Å; S503-G507 PolarHBondContact O-N 2.68Å; S503-M508 CarbonylContact C-O 3.53Å; S503-M508 WeakPolarHBondContact CB-O 3.33Å; S503-M508 PolarHBondContact O-N 3.07Å; S503-L513 WeakPolarHBondContact OG-CD1 3.36Å; S503-L513 WeakPolarHBondContact OG-CG 3.39Å |
| 504 | A | 91.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | R500 M501 G506 G507 H685 | R500-A504 VanDerWaalsContact O-CB 3.31Å; R500-A504 WeakPolarHBondContact O-CB 3.35Å; R500-A504 PolarHBondContact O-N 3.49Å; M501-A504 PolarHBondContact O-N 3.32Å; A504-G506 VanDerWaalsContact C-N 3.28Å; A504-G506 PolarHBondContact O-N 3Å; A504-G507 PolarHBondContact O-N 3.47Å; A504-G507 VanDerWaalsContact O-N 3.11Å; A504-H685 WeakPolarHBondContact CB-ND1 3.43Å; A504-H685 PolarHBondContact N-CE1 2.79Å |
| 505 | A | 90.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -32.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | M501 V502 R533 M534 | M501-A505 VanDerWaalsContact O-CB 3.29Å; M501-A505 WeakPolarHBondContact O-CB 3.39Å; M501-A505 PolarHBondContact O-N 3.41Å; V502-A505 PolarHBondContact O-N 3.25Å; A505-R533 HydrophobicContact CB-CB 4.14Å; A505-R533 PolarHBondContact O-NH1 2.86Å; A505-M534 HydrophobicContact CB-CG 4.25Å; A505-M534 HydrophobicContact CB-SD 4.31Å |
| 506 | G | 89.4 | Confident | 89.9 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -85.8 | -8.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | V502 S503 A504 R526 | V502-G506 PolarHBondContact O-N 2.91Å; S503-G506 PolarHBondContact O-N 2.7Å; A504-G506 VanDerWaalsContact C-N 3.28Å; A504-G506 PolarHBondContact O-N 3Å; G506-R526 WeakPolarHBondContact CA-O 3.27Å; G506-R526 WeakPolarHBondContact O-CB 3.3Å; G506-R526 WeakPolarHBondContact O-CG 3.35Å |
| 507 | G | 89 | Confident | 89.5 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 38% | 0.381 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 32.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S503 A504 R526 | S503-G507 PolarHBondContact O-N 2.68Å; A504-G507 PolarHBondContact O-N 3.47Å; A504-G507 VanDerWaalsContact O-N 3.11Å; G507-R526 PolarHBondContact O-NH1 3.21Å |
| 508 | M | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -119.2 | 148.8 | 178.3 | 69 | -174 | -59.8 | 0 | 0 | 111.2 | S503 R512 L513 F519 D523 R526 F527 H685 | S503-M508 CarbonylContact C-O 3.53Å; S503-M508 WeakPolarHBondContact CB-O 3.33Å; S503-M508 PolarHBondContact O-N 3.07Å; M508-R512 HydrophobicContact CE-CB 3.71Å; M508-L513 HydrophobicContact CE-CD2 3.93Å; M508-L513 HydrophobicContact SD-CD2 4.02Å; M508-F519 HydrophobicContact CE-CE1 3.95Å; M508-F519 HydrophobicContact CE-CE2 4.17Å; M508-F519 HydrophobicContact CE-CZ 3.5Å; M508-D523 HydrophobicContact CE-CB 4.46Å; M508-R526 HydrophobicContact SD-CB 4.39Å; M508-F527 HydrophobicContact SD-CB 3.96Å; M508-H685 PolarHBondContact O-NE2 2.8Å; M508-H685 VanDerWaalsContact O-NE2 3.07Å | ||
| 509 | P | 89.6 | Confident | 88.9 | Confident | 26 Ų | 26 | 51 Ų | 51 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | trans | -72 | 139.4 | 177.4 | 28.6 | -32.2 | 0 | 0 | 0 | 111.1 | S511 R512 N683 | P509-S511 PolarHBondContact O-N 2.72Å; P509-R512 HydrophobicContact CG-CB 4.38Å; P509-R512 HydrophobicContact CG-CG 3.65Å; P509-R512 WeakPolarHBondContact O-CB 3.43Å; P509-R512 PolarHBondContact O-N 3.45Å; P509-N683 WeakPolarHBondContact CA-O 3.24Å; P509-N683 HydrophobicContact CB-CB 3.92Å; P509-N683 HydrophobicContact CG-CB 4.47Å | ||
| 510 | V | 89 | Confident | 88.7 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.5 | -30.5 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | R500 R512 L513 | R500-V510 HydrophobicContact CB-CG2 4.47Å; R500-V510 HydrophobicContact CG-CG1 4.5Å; R500-V510 HydrophobicContact CG-CG2 3.97Å; V510-R512 PolarHBondContact O-N 2.89Å; V510-L513 WeakPolarHBondContact O-CB 3.43Å; V510-L513 PolarHBondContact O-N 3.39Å; V510-L513 VanDerWaalsContact O-N 3.13Å |
| 511 | S | 88.7 | Confident | 88.3 | Confident | 81 Ų | 81 | 57 Ų | 57 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61 | -28.7 | 177 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | P509 L513 K514 | P509-S511 PolarHBondContact O-N 2.72Å; S511-L513 VanDerWaalsContact C-N 3.32Å; S511-K514 PolarHBondContact O-N 3.45Å |
| 512 | R | 87.8 | Confident | 88.1 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 175.7 | -76.9 | -84.7 | -176.7 | 154.3 | -3.9 | 110.8 | M508 P509 V510 K514 S515 F519 D523 | M508-R512 HydrophobicContact CE-CB 3.71Å; P509-R512 HydrophobicContact CG-CB 4.38Å; P509-R512 HydrophobicContact CG-CG 3.65Å; P509-R512 WeakPolarHBondContact O-CB 3.43Å; P509-R512 PolarHBondContact O-N 3.45Å; V510-R512 PolarHBondContact O-N 2.89Å; R512-K514 PolarHBondContact O-N 3.24Å; R512-S515 CarbonylContact O-C 3.59Å; R512-S515 WeakPolarHBondContact O-CA 3.36Å; R512-S515 PolarHBondContact O-N 3.35Å; R512-S515 PolarHBondContact O-OG 3.16Å; R512-S515 VanDerWaalsContact O-OG 3.12Å; R512-F519 HydrophobicContact CB-CE1 4.04Å; R512-F519 WeakPolarHBondContact O-CE1 3.47Å; R512-D523 IonicContact CZ-OD2 3.8Å; R512-D523 IonicContact NH1-OD1 3.89Å; R512-D523 IonicContact NH1-OD2 3.09Å; R512-D523 PolarHBondContact NH1-OD2 3.17Å |
| 513 | L | 86.7 | Confident | 87.9 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.6 | -21.8 | 176.6 | -59.8 | -170.5 | 0 | 0 | 0 | 113.3 | E499 S503 M508 V510 S511 V516 F519 F527 | E499-L513 HydrophobicContact CB-CD1 3.79Å; E499-L513 HydrophobicContact CG-CD1 4Å; E499-L513 WeakPolarHBondContact O-CD1 3.34Å; S503-L513 WeakPolarHBondContact OG-CD1 3.36Å; S503-L513 WeakPolarHBondContact OG-CG 3.39Å; M508-L513 HydrophobicContact CE-CD2 3.93Å; M508-L513 HydrophobicContact SD-CD2 4.02Å; V510-L513 WeakPolarHBondContact O-CB 3.43Å; V510-L513 PolarHBondContact O-N 3.39Å; V510-L513 VanDerWaalsContact O-N 3.13Å; S511-L513 VanDerWaalsContact C-N 3.32Å; L513-V516 WeakPolarHBondContact O-CG2 3.33Å; L513-F519 HydrophobicContact CD2-CZ 4Å; L513-F527 HydrophobicContact CD2-CD2 3.61Å; L513-F527 HydrophobicContact CD2-CE2 3.92Å |
| 514 | K | 84.4 | Confident | 87.8 | Confident | 179 Ų | 179 | 67.1 Ų | 67.1 | 78% | 0.778 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -19 | 174.4 | -61.6 | -173 | 176.9 | -174.8 | 0 | 113.5 | S511 R512 | S511-K514 PolarHBondContact O-N 3.45Å; R512-K514 PolarHBondContact O-N 3.24Å |
| 515 | S | 85.2 | Confident | 87.7 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 41.9 | -177.9 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | R512 A517 H518 | R512-S515 CarbonylContact O-C 3.59Å; R512-S515 WeakPolarHBondContact O-CA 3.36Å; R512-S515 PolarHBondContact O-N 3.35Å; R512-S515 PolarHBondContact O-OG 3.16Å; R512-S515 VanDerWaalsContact O-OG 3.12Å; S515-A517 PolarHBondContact O-N 3.18Å; S515-H518 PolarHBondContact O-N 3.43Å |
| 516 | V | 83.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.418 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -53.6 | -29.6 | -178.3 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | L513 H518 F519 W524 | L513-V516 WeakPolarHBondContact O-CG2 3.33Å; V516-H518 PolarHBondContact O-N 3.27Å; V516-F519 HydrophobicContact CG1-CD2 4.17Å; V516-F519 HydrophobicContact CG1-CE2 4.38Å; V516-F519 HydrophobicContact CG1-CG 4.29Å; V516-F519 HydrophobicContact CG2-CZ 4.47Å; V516-F519 WeakPolarHBondContact O-CB 3.47Å; V516-F519 PolarHBondContact O-N 2.67Å; V516-W524 HydrophobicContact CG1-CH2 4.01Å; V516-W524 HydrophobicContact CG1-CZ2 3.94Å |
| 517 | A | 83.1 | Confident | 87.8 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 83% | 0.826 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -58.1 | -17.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S515 | S515-A517 PolarHBondContact O-N 3.18Š|
| 518 | H | 84.9 | Confident | 87.9 | Confident | 137 Ų | 137 | 76.3 Ų | 76.3 | 63% | 0.634 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -114.1 | 19.7 | 179 | -54.7 | 84.2 | 0 | 0 | 0 | 112.3 | S515 V516 E520 | S515-H518 PolarHBondContact O-N 3.43Å; V516-H518 PolarHBondContact O-N 3.27Å; H518-E520 PolarHBondContact O-N 3.23Å |
| 519 | F | 89.1 | Confident | 88.1 | Confident | 27 Ų | 27 | 81 Ų | 81 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | trans | -67.5 | 124.6 | 174.7 | -87.5 | 19.8 | 0 | 0 | 0 | 110.6 | M508 R512 L513 V516 D523 W524 F527 | M508-F519 HydrophobicContact CE-CE1 3.95Å; M508-F519 HydrophobicContact CE-CE2 4.17Å; M508-F519 HydrophobicContact CE-CZ 3.5Å; R512-F519 HydrophobicContact CB-CE1 4.04Å; R512-F519 WeakPolarHBondContact O-CE1 3.47Å; L513-F519 HydrophobicContact CD2-CZ 4Å; V516-F519 HydrophobicContact CG1-CD2 4.17Å; V516-F519 HydrophobicContact CG1-CE2 4.38Å; V516-F519 HydrophobicContact CG1-CG 4.29Å; V516-F519 HydrophobicContact CG2-CZ 4.47Å; V516-F519 WeakPolarHBondContact O-CB 3.47Å; V516-F519 PolarHBondContact O-N 2.67Å; F519-D523 HydrophobicContact CB-CB 4.04Å; F519-D523 HydrophobicContact CD1-CB 3.92Å; F519-D523 HydrophobicContact CD2-CB 3.99Å; F519-D523 HydrophobicContact CE1-CB 4.32Å; F519-D523 HydrophobicContact CE2-CB 4.43Å; F519-D523 HydrophobicContact CG-CB 3.74Å; F519-W524 HydrophobicContact CB-CG 4.45Å; F519-W524 AromaticContact CD2-CD2 3.8Å; F519-W524 HydrophobicContact CD2-CD2 3.8Å; F519-W524 AromaticContact CD2-CE2 3.74Å; F519-W524 HydrophobicContact CD2-CE3 4.16Å; F519-W524 HydrophobicContact CD2-CG 4.15Å; F519-W524 HydrophobicContact CD2-CH2 4.42Å; F519-W524 HydrophobicContact CD2-CZ2 4.08Å; F519-W524 HydrophobicContact CD2-CZ3 4.46Å; F519-F527 HydrophobicContact CE2-CB 4.35Å | ||
| 520 | E | 87.2 | Confident | 88.2 | Confident | 128 Ų | 128 | 79.7 Ų | 79.7 | 60% | 0.598 | 42% | 0.417 | S | S | * | . | trans | -84.6 | 166.5 | 165.4 | -63.9 | 172.9 | -165.9 | 0 | 0 | 109.5 | H518 E522 D523 W524 | H518-E520 PolarHBondContact O-N 3.23Å; E520-E522 PolarHBondContact O-N 3.2Å; E520-E522 VanDerWaalsContact O-N 3.12Å; E520-D523 PolarHBondContact N-OD2 3.12Å; E520-D523 WeakPolarHBondContact O-CB 3.42Å; E520-D523 PolarHBondContact O-N 3.05Å; E520-W524 PolarHBondContact O-N 3.37Å; E520-W524 VanDerWaalsContact O-N 3.15Å | ||
| 521 | D | 86 | Confident | 88.4 | Confident | 145 Ų | 145 | 81 Ų | 81 | 78% | 0.775 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -55.7 | -32.8 | 179.2 | -67.4 | -21.5 | 0 | 0 | 0 | 112.2 | W524 A525 | D521-W524 PolarHBondContact O-N 3.39Å; D521-A525 WeakPolarHBondContact O-CB 3.45Å; D521-A525 PolarHBondContact O-N 3.36Å |
| 522 | E | 88.8 | Confident | 88.6 | Confident | 112 Ų | 112 | 79.4 Ų | 79.4 | 52% | 0.523 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 175 | -167.1 | -177.6 | 169.2 | 0 | 0 | 112.5 | E520 A525 R526 | E520-E522 PolarHBondContact O-N 3.2Å; E520-E522 VanDerWaalsContact O-N 3.12Å; E522-A525 PolarHBondContact O-N 2.76Å; E522-R526 WeakPolarHBondContact O-CG 3.48Å; E522-R526 PolarHBondContact O-N 3.08Å; E522-R526 IonicContact OE1-CZ 3.74Å; E522-R526 IonicContact OE1-NE 3.1Å; E522-R526 PolarHBondContact OE1-NE 3.14Å; E522-R526 IonicContact OE1-NH2 3.06Å; E522-R526 PolarHBondContact OE1-NH2 3.38Å |
| 523 | D | 88.7 | Confident | 88.8 | Confident | 14 Ų | 14 | 81.5 Ų | 81.5 | 8% | 0.075 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.7 | -75 | -42.7 | 0 | 0 | 0 | 110.5 | M508 R512 F519 E520 R526 F527 | M508-D523 HydrophobicContact CE-CB 4.46Å; R512-D523 IonicContact CZ-OD2 3.8Å; R512-D523 IonicContact NH1-OD1 3.89Å; R512-D523 IonicContact NH1-OD2 3.09Å; R512-D523 PolarHBondContact NH1-OD2 3.17Å; F519-D523 HydrophobicContact CB-CB 4.04Å; F519-D523 HydrophobicContact CD1-CB 3.92Å; F519-D523 HydrophobicContact CD2-CB 3.99Å; F519-D523 HydrophobicContact CE1-CB 4.32Å; F519-D523 HydrophobicContact CE2-CB 4.43Å; F519-D523 HydrophobicContact CG-CB 3.74Å; E520-D523 PolarHBondContact N-OD2 3.12Å; E520-D523 WeakPolarHBondContact O-CB 3.42Å; E520-D523 PolarHBondContact O-N 3.05Å; D523-R526 PolarHBondContact O-N 3.29Å; D523-F527 WeakPolarHBondContact O-CB 3Å; D523-F527 PolarHBondContact O-N 3.14Å |
| 524 | W | 90.5 | Very high | 89.1 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 45% | 0.451 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 174.4 | -79.8 | 113 | 0 | 0 | 0 | 112.7 | V516 F519 E520 D521 F527 S528 | V516-W524 HydrophobicContact CG1-CH2 4.01Å; V516-W524 HydrophobicContact CG1-CZ2 3.94Å; F519-W524 HydrophobicContact CB-CG 4.45Å; F519-W524 AromaticContact CD2-CD2 3.8Å; F519-W524 HydrophobicContact CD2-CD2 3.8Å; F519-W524 AromaticContact CD2-CE2 3.74Å; F519-W524 HydrophobicContact CD2-CE3 4.16Å; F519-W524 HydrophobicContact CD2-CG 4.15Å; F519-W524 HydrophobicContact CD2-CH2 4.42Å; F519-W524 HydrophobicContact CD2-CZ2 4.08Å; F519-W524 HydrophobicContact CD2-CZ3 4.46Å; E520-W524 PolarHBondContact O-N 3.37Å; E520-W524 VanDerWaalsContact O-N 3.15Å; D521-W524 PolarHBondContact O-N 3.39Å; W524-F527 HydrophobicContact CE3-CD1 4.36Å; W524-F527 HydrophobicContact CZ3-CD1 4.32Å; W524-S528 VanDerWaalsContact O-CB 3.31Å; W524-S528 WeakPolarHBondContact O-CB 2.87Å; W524-S528 PolarHBondContact O-N 2.92Å; W524-S528 PolarHBondContact O-OG 3.38Å |
| 525 | A | 89.7 | Confident | 89.4 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 50% | 0.496 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D521 E522 S528 Q529 | D521-A525 WeakPolarHBondContact O-CB 3.45Å; D521-A525 PolarHBondContact O-N 3.36Å; E522-A525 PolarHBondContact O-N 2.76Å; A525-S528 PolarHBondContact O-N 2.58Å; A525-Q529 WeakPolarHBondContact O-CB 3.35Å; A525-Q529 PolarHBondContact O-N 3.39Å |
| 526 | R | 91 | Very high | 89.6 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 32% | 0.317 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.4 | -73.5 | -179.5 | -173.6 | -154 | 7.7 | 112.2 | G506 G507 M508 E522 D523 Q529 G530 | G506-R526 WeakPolarHBondContact CA-O 3.27Å; G506-R526 WeakPolarHBondContact O-CB 3.3Å; G506-R526 WeakPolarHBondContact O-CG 3.35Å; G507-R526 PolarHBondContact O-NH1 3.21Å; M508-R526 HydrophobicContact SD-CB 4.39Å; E522-R526 WeakPolarHBondContact O-CG 3.48Å; E522-R526 PolarHBondContact O-N 3.08Å; E522-R526 IonicContact OE1-CZ 3.74Å; E522-R526 IonicContact OE1-NE 3.1Å; E522-R526 PolarHBondContact OE1-NE 3.14Å; E522-R526 IonicContact OE1-NH2 3.06Å; E522-R526 PolarHBondContact OE1-NH2 3.38Å; D523-R526 PolarHBondContact O-N 3.29Å; R526-Q529 PolarHBondContact O-N 3.41Å; R526-G530 PolarHBondContact O-N 2.97Å |
| 527 | F | 92 | Very high | 90 | Very high | 64 Ų | 64 | 78.7 Ų | 78.7 | 28% | 0.281 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 176.2 | 177.9 | -105.2 | 0 | 0 | 0 | 111.7 | V502 M508 L513 F519 D523 W524 Q529 G530 V531 | V502-F527 HydrophobicContact CG1-CD2 3.72Å; V502-F527 HydrophobicContact CG1-CE2 3.66Å; M508-F527 HydrophobicContact SD-CB 3.96Å; L513-F527 HydrophobicContact CD2-CD2 3.61Å; L513-F527 HydrophobicContact CD2-CE2 3.92Å; F519-F527 HydrophobicContact CE2-CB 4.35Å; D523-F527 WeakPolarHBondContact O-CB 3Å; D523-F527 PolarHBondContact O-N 3.14Å; W524-F527 HydrophobicContact CE3-CD1 4.36Å; W524-F527 HydrophobicContact CZ3-CD1 4.32Å; F527-Q529 VanDerWaalsContact C-N 3.32Å; F527-Q529 PolarHBondContact O-N 3.45Å; F527-G530 PolarHBondContact O-N 2.95Å; F527-G530 VanDerWaalsContact O-N 3.12Å; F527-V531 HydrophobicContact CD1-CG2 4.38Å; F527-V531 HydrophobicContact CE1-CG2 3.95Å; F527-V531 HydrophobicContact CE2-CG2 4.16Å; F527-V531 HydrophobicContact CZ-CG2 3.84Å; F527-V531 WeakPolarHBondContact O-CG2 3.46Å; F527-V531 PolarHBondContact O-N 3.25Å |
| 528 | S | 91.5 | Very high | 90.5 | Very high | 70 Ų | 70 | 77 Ų | 77 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | W524 A525 V531 G532 | W524-S528 VanDerWaalsContact O-CB 3.31Å; W524-S528 WeakPolarHBondContact O-CB 2.87Å; W524-S528 PolarHBondContact O-N 2.92Å; W524-S528 PolarHBondContact O-OG 3.38Å; A525-S528 PolarHBondContact O-N 2.58Å; S528-V531 PolarHBondContact O-N 3.4Å; S528-G532 PolarHBondContact O-N 2.85Å |
| 529 | Q | 92.2 | Very high | 91 | Very high | 98 Ų | 98 | 71.9 Ų | 71.9 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 173.3 | -176.2 | 178.9 | 38.6 | 0 | 0 | 111.6 | A525 R526 F527 G532 R533 | A525-Q529 WeakPolarHBondContact O-CB 3.35Å; A525-Q529 PolarHBondContact O-N 3.39Å; R526-Q529 PolarHBondContact O-N 3.41Å; F527-Q529 VanDerWaalsContact C-N 3.32Å; F527-Q529 PolarHBondContact O-N 3.45Å; Q529-G532 PolarHBondContact O-N 3.42Å; Q529-R533 WeakPolarHBondContact O-CG 3.3Å; Q529-R533 PolarHBondContact O-N 2.64Å |
| 530 | G | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R526 F527 G532 R533 M534 | R526-G530 PolarHBondContact O-N 2.97Å; F527-G530 PolarHBondContact O-N 2.95Å; F527-G530 VanDerWaalsContact O-N 3.12Å; G530-G532 VanDerWaalsContact C-N 3.33Å; G530-G532 PolarHBondContact O-N 3.22Å; G530-R533 PolarHBondContact O-N 2.79Å; G530-M534 WeakPolarHBondContact O-CG 3.37Å; G530-M534 PolarHBondContact O-N 2.85Å; G530-M534 VanDerWaalsContact O-N 3.11Å |
| 531 | V | 93.6 | Very high | 91.7 | Very high | 55 Ų | 55 | 70.4 Ų | 70.4 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | V502 F527 S528 R533 M534 T535 | V502-V531 HydrophobicContact CG1-CG2 3.7Å; V502-V531 HydrophobicContact CG2-CG2 4.29Å; F527-V531 HydrophobicContact CD1-CG2 4.38Å; F527-V531 HydrophobicContact CE1-CG2 3.95Å; F527-V531 HydrophobicContact CE2-CG2 4.16Å; F527-V531 HydrophobicContact CZ-CG2 3.84Å; F527-V531 WeakPolarHBondContact O-CG2 3.46Å; F527-V531 PolarHBondContact O-N 3.25Å; S528-V531 PolarHBondContact O-N 3.4Å; V531-R533 VanDerWaalsContact C-N 3.34Å; V531-R533 PolarHBondContact O-N 2.84Å; V531-M534 PolarHBondContact O-N 2.8Å; V531-T535 WeakPolarHBondContact O-CB 3.4Å; V531-T535 PolarHBondContact O-N 2.85Å; V531-T535 PolarHBondContact O-OG1 2.87Å |
| 532 | G | 92.6 | Very high | 92 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S528 Q529 G530 | S528-G532 PolarHBondContact O-N 2.85Å; Q529-G532 PolarHBondContact O-N 3.42Å; G530-G532 VanDerWaalsContact C-N 3.33Å; G530-G532 PolarHBondContact O-N 3.22Å |
| 533 | R | 91.8 | Very high | 92.1 | Very high | 135 Ų | 135 | 63.3 Ų | 63.3 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.4 | -34.8 | 177.4 | -74.8 | -177.6 | 178.1 | -173.4 | -2.6 | 113.5 | A505 Q529 G530 V531 R537 | A505-R533 HydrophobicContact CB-CB 4.14Å; A505-R533 PolarHBondContact O-NH1 2.86Å; Q529-R533 WeakPolarHBondContact O-CG 3.3Å; Q529-R533 PolarHBondContact O-N 2.64Å; G530-R533 PolarHBondContact O-N 2.79Å; V531-R533 VanDerWaalsContact C-N 3.34Å; V531-R533 PolarHBondContact O-N 2.84Å; R533-R537 PolarHBondContact O-NE 2.83Å |
| 534 | M | 92.4 | Very high | 92 | Very high | 29 Ų | 29 | 67.5 Ų | 67.5 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -81 | -22.8 | 179.8 | -67.3 | -49.8 | -52.1 | 0 | 0 | 113.2 | M501 V502 A505 G530 V531 G536 R537 I539 | M501-M534 HydrophobicContact CB-CE 4.01Å; M501-M534 HydrophobicContact CB-CG 4.42Å; M501-M534 HydrophobicContact CB-SD 4.1Å; M501-M534 HydrophobicContact CE-CE 3.52Å; M501-M534 HydrophobicContact CE-SD 4.44Å; M501-M534 HydrophobicContact SD-CE 4Å; V502-M534 HydrophobicContact CG2-CG 4.21Å; A505-M534 HydrophobicContact CB-CG 4.25Å; A505-M534 HydrophobicContact CB-SD 4.31Å; G530-M534 WeakPolarHBondContact O-CG 3.37Å; G530-M534 PolarHBondContact O-N 2.85Å; G530-M534 VanDerWaalsContact O-N 3.11Å; V531-M534 PolarHBondContact O-N 2.8Å; M534-G536 PolarHBondContact O-N 3.36Å; M534-R537 HydrophobicContact CE-CB 4.34Å; M534-R537 HydrophobicContact CE-CG 4.15Å; M534-R537 WeakPolarHBondContact O-CB 3.27Å; M534-R537 WeakPolarHBondContact O-CG 3.42Å; M534-R537 PolarHBondContact O-N 2.82Å; M534-I539 HydrophobicContact CE-CD1 3.4Å |
| 535 | T | 91.6 | Very high | 91.7 | Very high | 104 Ų | 104 | 64.6 Ų | 64.6 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 126.3 | 179.3 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | V531 | V531-T535 WeakPolarHBondContact O-CB 3.4Å; V531-T535 PolarHBondContact O-N 2.85Å; V531-T535 PolarHBondContact O-OG1 2.87Å |
| 536 | G | 89.2 | Confident | 91.2 | Very high | 73 Ų | 73 | 67 Ų | 67 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 2.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M534 | M534-G536 PolarHBondContact O-N 3.36Š|
| 537 | R | 92.3 | Very high | 91 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | trans | -72.9 | 137 | 172 | -62.3 | -57.7 | -171.9 | 101.5 | -5.6 | 111.2 | D476 T479 E480 R533 M534 I539 | D476-R537 PolarHBondContact O-NH1 3.02Å; D476-R537 IonicContact OD1-CZ 3.38Å; D476-R537 IonicContact OD1-NH1 3.97Å; D476-R537 PolarHBondContact OD1-NH1 2.89Å; D476-R537 VanDerWaalsContact OD1-NH1 3.1Å; D476-R537 IonicContact OD1-NH2 2.85Å; T479-R537 PolarHBondContact OG1-NH1 3.48Å; E480-R537 VanDerWaalsContact CB-NH1 3.33Å; E480-R537 IonicContact OE1-NH2 3.1Å; R533-R537 PolarHBondContact O-NE 2.83Å; M534-R537 HydrophobicContact CE-CB 4.34Å; M534-R537 HydrophobicContact CE-CG 4.15Å; M534-R537 WeakPolarHBondContact O-CB 3.27Å; M534-R537 WeakPolarHBondContact O-CG 3.42Å; M534-R537 PolarHBondContact O-N 2.82Å; R537-I539 VanDerWaalsContact C-N 3.31Å; R537-I539 HydrophobicContact CB-CD1 3.76Å; R537-I539 HydrophobicContact CB-CG1 4.12Å; R537-I539 PolarHBondContact O-N 3.12Å | ||
| 538 | N | 93.6 | Very high | 90.7 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | trans | -82.2 | 71.2 | -180 | -74.4 | -17.5 | 0 | 0 | 0 | 111.3 | G484 V485 W540 | G484-N538 CarbonylContact C-O 3.59Å; G484-N538 WeakPolarHBondContact CA-O 3.44Å; V485-N538 PolarHBondContact N-O 3.47Å; N538-W540 HydrophobicContact CB-CH2 3.55Å; N538-W540 HydrophobicContact CB-CZ2 4.36Å; N538-W540 HydrophobicContact CB-CZ3 3.74Å; N538-W540 WeakPolarHBondContact O-CZ3 3.3Å | ||
| 539 | I | 95.7 | Very high | 90.5 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 16% | 0.159 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.5 | -179.5 | -55.2 | 159.4 | 0 | 0 | 0 | 108.8 | I475 T479 M501 M534 R537 M541 | I475-I539 HydrophobicContact CG2-CD1 4.16Å; I475-I539 HydrophobicContact CG2-CG1 4.04Å; I475-I539 HydrophobicContact CG2-CG2 4.3Å; T479-I539 HydrophobicContact CG2-CD1 4.23Å; T479-I539 HydrophobicContact CG2-CG1 3.53Å; M501-I539 HydrophobicContact CE-CD1 3.5Å; M501-I539 VanDerWaalsContact CE-CD1 3.5Å; M501-I539 HydrophobicContact SD-CD1 4.06Å; M534-I539 HydrophobicContact CE-CD1 3.4Å; R537-I539 VanDerWaalsContact C-N 3.31Å; R537-I539 HydrophobicContact CB-CD1 3.76Å; R537-I539 HydrophobicContact CB-CG1 4.12Å; R537-I539 PolarHBondContact O-N 3.12Å; I539-M541 HydrophobicContact CG2-CG 4.17Å |
| 540 | W | 96 | Very high | 90 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.9 | 174.7 | -61.2 | -92.4 | 0 | 0 | 0 | 109.7 | V485 L486 L487 N538 H559 H563 E565 T566 | V485-W540 PolarHBondContact O-N 3.29Å; L486-W540 WeakPolarHBondContact CA-O 3.5Å; L486-W540 HydrophobicContact CD1-CB 3.97Å; L487-W540 PolarHBondContact N-O 2.81Å; N538-W540 HydrophobicContact CB-CH2 3.55Å; N538-W540 HydrophobicContact CB-CZ2 4.36Å; N538-W540 HydrophobicContact CB-CZ3 3.74Å; N538-W540 WeakPolarHBondContact O-CZ3 3.3Å; W540-H559 AromaticContact CD1-CE1 3.91Å; W540-H559 AromaticContact CD2-CE1 3.36Å; W540-H559 AromaticContact CD2-NE2 3.88Å; W540-H559 AromaticContact CE2-CE1 3.93Å; W540-H559 AromaticContact CE3-CE1 3.61Å; W540-H559 AromaticContact CE3-NE2 3.61Å; W540-H559 AromaticContact CG-CE1 3.38Å; W540-H563 AromaticContact CE2-CG 3.95Å; W540-H563 AromaticContact CE2-ND1 3.88Å; W540-H563 HydrophobicContact CH2-CB 4.11Å; W540-H563 AromaticContact CH2-ND1 3.97Å; W540-H563 HydrophobicContact CZ2-CB 4.19Å; W540-H563 AromaticContact CZ2-CE1 3.78Å; W540-H563 AromaticContact CZ2-CG 3.68Å; W540-H563 AromaticContact CZ2-ND1 3.33Å; W540-H563 VanDerWaalsContact CZ2-ND1 3.33Å; W540-H563 WeakPolarHBondContact CZ2-ND1 3.23Å; W540-H563 HydrophobicContact CZ3-CB 4.49Å; W540-H563 AromaticContact NE1-CE1 3.84Å; W540-H563 AromaticContact NE1-NE2 3.73Å; W540-E565 HydrophobicContact CH2-CG 4.03Å; W540-E565 VanDerWaalsContact CH2-OE1 3.3Å; W540-E565 WeakPolarHBondContact CH2-OE1 3.31Å; W540-T566 WeakPolarHBondContact CZ3-OG1 3.38Å |
| 541 | M | 95.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.3 | -176.4 | -57.8 | -179.8 | -79.5 | 0 | 0 | 111.6 | L487 N494 I497 I539 | L487-M541 HydrophobicContact CB-CG 4.28Å; L487-M541 HydrophobicContact CD2-CG 4.25Å; L487-M541 HydrophobicContact CD2-SD 4.41Å; L487-M541 CarbonylContact O-C 3.49Å; L487-M541 VanDerWaalsContact O-CA 3.29Å; L487-M541 WeakPolarHBondContact O-CA 3.42Å; N494-M541 HydrophobicContact CB-CE 4.34Å; N494-M541 WeakPolarHBondContact OD1-CB 3.11Å; I497-M541 HydrophobicContact CB-SD 4.12Å; I497-M541 HydrophobicContact CG2-SD 3.78Å; I539-M541 HydrophobicContact CG2-CG 4.17Å |
| 542 | V | 92.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.3 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | L486 L487 F488 T489 Q544 L547 T555 | L486-V542 HydrophobicContact CD1-CG2 4.1Å; L487-V542 PolarHBondContact O-N 3.33Å; F488-V542 HydrophobicContact CD1-CB 3.68Å; F488-V542 HydrophobicContact CD1-CG1 3.88Å; F488-V542 HydrophobicContact CD1-CG2 4.09Å; F488-V542 HydrophobicContact CE1-CB 4Å; F488-V542 HydrophobicContact CE1-CG1 4.08Å; F488-V542 HydrophobicContact CE1-CG2 3.92Å; F488-V542 HydrophobicContact CG-CB 4.42Å; T489-V542 PolarHBondContact N-O 3.37Å; V542-Q544 HydrophobicContact CG1-CB 4.33Å; V542-L547 HydrophobicContact CG1-CD1 4.24Å; V542-T555 HydrophobicContact CG2-CG2 4.23Å |
| 543 | D | 90.8 | Very high | 89.3 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 87.1 | 176 | 178.4 | 3.3 | 0 | 0 | 0 | 109.1 | T489 A493 N494 | T489-D543 HydrophobicContact CG2-CB 4.02Å; T489-D543 WeakPolarHBondContact O-CA 3.49Å; A493-D543 WeakPolarHBondContact CA-OD2 3.46Å; N494-D543 HydrophobicContact CB-CB 4.25Å; N494-D543 VanDerWaalsContact CG-CB 3.43Å; N494-D543 PolarHBondContact N-OD2 3.32Å; N494-D543 WeakPolarHBondContact OD1-CB 3.48Å |
| 544 | Q | 86.6 | Confident | 88.9 | Confident | 103 Ų | 103 | 55 Ų | 55 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | trans | -145 | 123.3 | 178.3 | -171.8 | 171.6 | -7.5 | 0 | 0 | 110.8 | T489 V542 L547 | T489-Q544 PolarHBondContact O-N 3.49Å; V542-Q544 HydrophobicContact CG1-CB 4.33Å; Q544-L547 HydrophobicContact CB-CD1 4.15Å; Q544-L547 HydrophobicContact CB-CD2 4.08Å; Q544-L547 HydrophobicContact CB-CG 4.04Å; Q544-L547 HydrophobicContact CG-CD2 3.89Å; Q544-L547 HydrophobicContact CG-CG 4.13Å | ||
| 545 | A | 82.7 | Confident | 88.6 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 156.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L547 | A545-L547 VanDerWaalsContact C-N 3.26Å; A545-L547 PolarHBondContact O-N 3.47Å |
| 546 | N | 80.5 | Confident | 88.4 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 24 | 171.9 | -56.8 | -47.3 | 0 | 0 | 0 | 116.1 | K578 | N546-K578 HydrophobicContact CB-CD 4.28Å; N546-K578 WeakPolarHBondContact O-CB 3.31Å |
| 547 | L | 86 | Confident | 88.1 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -58.7 | 137.8 | 171.7 | -69.8 | 171.6 | 0 | 0 | 0 | 111.5 | F488 M490 V542 Q544 A545 E551 I552 I577 K578 | F488-L547 HydrophobicContact CD1-CD1 3.84Å; F488-L547 HydrophobicContact CE1-CD1 4.42Å; M490-L547 HydrophobicContact CE-CB 3.74Å; M490-L547 HydrophobicContact CE-CG 4.31Å; M490-L547 HydrophobicContact SD-CB 4.47Å; V542-L547 HydrophobicContact CG1-CD1 4.24Å; Q544-L547 HydrophobicContact CB-CD1 4.15Å; Q544-L547 HydrophobicContact CB-CD2 4.08Å; Q544-L547 HydrophobicContact CB-CG 4.04Å; Q544-L547 HydrophobicContact CG-CD2 3.89Å; Q544-L547 HydrophobicContact CG-CG 4.13Å; A545-L547 VanDerWaalsContact C-N 3.26Å; A545-L547 PolarHBondContact O-N 3.47Å; L547-E551 HydrophobicContact CD2-CB 4.21Å; L547-I552 HydrophobicContact CB-CD1 4.41Å; L547-I552 HydrophobicContact CB-CG1 4.13Å; L547-I552 HydrophobicContact CD1-CG1 4.32Å; L547-I577 CarbonylContact O-C 3.55Å; L547-I577 WeakPolarHBondContact O-CA 3.46Å; L547-I577 WeakPolarHBondContact O-CG2 3.05Å; L547-K578 PolarHBondContact O-N 3.39Å | ||
| 548 | T | 85.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -88.1 | 159.5 | 169.7 | 63.8 | 0 | 0 | 0 | 0 | 111 | D550 E551 I552 K578 | T548-D550 PolarHBondContact O-N 3.05Å; T548-E551 WeakPolarHBondContact CB-OE2 3.3Å; T548-E551 PolarHBondContact N-OE2 2.9Å; T548-E551 PolarHBondContact O-N 3.29Å; T548-E551 VanDerWaalsContact O-N 3.15Å; T548-E551 VanDerWaalsContact OG1-CG 3.29Å; T548-E551 WeakPolarHBondContact OG1-CG 3.29Å; T548-E551 PolarHBondContact OG1-N 3.08Å; T548-E551 PolarHBondContact OG1-OE2 2.92Å; T548-I552 WeakPolarHBondContact O-CG1 3.42Å; T548-I552 PolarHBondContact O-N 3.38Å; T548-K578 HydrophobicContact CG2-CB 4.25Å |
| 549 | I | 87.4 | Confident | 87 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 177.8 | -170 | 57.7 | 0 | 0 | 0 | 112.7 | I552 C553 L596 | I549-I552 PolarHBondContact O-N 2.93Å; I549-C553 WeakPolarHBondContact O-CB 3.36Å; I549-C553 PolarHBondContact O-N 3.22Å; I549-C553 PolarHBondContact O-SG 3.34Å; I549-L596 HydrophobicContact CD1-CD2 3.63Å; I549-L596 HydrophobicContact CD1-CG 3.84Å |
| 550 | D | 82 | Confident | 86.4 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 177 | -66.2 | -32.4 | 0 | 0 | 0 | 111.4 | T548 C553 A554 R580 | T548-D550 PolarHBondContact O-N 3.05Å; D550-C553 PolarHBondContact O-N 3Å; D550-A554 WeakPolarHBondContact O-CB 3.35Å; D550-A554 PolarHBondContact O-N 2.99Å; D550-R580 IonicContact OD2-CZ 3.76Å; D550-R580 IonicContact OD2-NE 2.84Å; D550-R580 IonicContact OD2-NH1 3.74Å; D550-R580 IonicContact OD2-NH2 3.94Å |
| 551 | E | 87.4 | Confident | 85.4 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 177.2 | -72.5 | 161.8 | 152 | 0 | 0 | 111.7 | L547 T548 A554 T555 | L547-E551 HydrophobicContact CD2-CB 4.21Å; T548-E551 WeakPolarHBondContact CB-OE2 3.3Å; T548-E551 PolarHBondContact N-OE2 2.9Å; T548-E551 PolarHBondContact O-N 3.29Å; T548-E551 VanDerWaalsContact O-N 3.15Å; T548-E551 VanDerWaalsContact OG1-CG 3.29Å; T548-E551 WeakPolarHBondContact OG1-CG 3.29Å; T548-E551 PolarHBondContact OG1-N 3.08Å; T548-E551 PolarHBondContact OG1-OE2 2.92Å; E551-A554 PolarHBondContact O-N 3.24Å; E551-T555 VanDerWaalsContact O-CB 3.25Å; E551-T555 WeakPolarHBondContact O-CB 3.49Å; E551-T555 PolarHBondContact O-N 3.27Å; E551-T555 PolarHBondContact O-OG1 3.29Å |
| 552 | I | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 172.3 | -65.7 | 171.5 | 0 | 0 | 0 | 109.4 | F488 L547 T548 I549 A554 T555 T556 I577 L599 | F488-I552 HydrophobicContact CD1-CG1 4.37Å; F488-I552 HydrophobicContact CD2-CG2 4.33Å; F488-I552 HydrophobicContact CE1-CG1 4.37Å; F488-I552 HydrophobicContact CE1-CG2 4.34Å; F488-I552 HydrophobicContact CE2-CG2 3.97Å; F488-I552 HydrophobicContact CZ-CG2 3.96Å; L547-I552 HydrophobicContact CB-CD1 4.41Å; L547-I552 HydrophobicContact CB-CG1 4.13Å; L547-I552 HydrophobicContact CD1-CG1 4.32Å; T548-I552 WeakPolarHBondContact O-CG1 3.42Å; T548-I552 PolarHBondContact O-N 3.38Å; I549-I552 PolarHBondContact O-N 2.93Å; I552-A554 PolarHBondContact O-N 3.24Å; I552-T555 PolarHBondContact O-N 3.48Å; I552-T556 WeakPolarHBondContact O-CB 3.33Å; I552-T556 PolarHBondContact O-N 3.23Å; I552-T556 PolarHBondContact O-OG1 3.09Å; I552-I577 HydrophobicContact CD1-CD1 3.79Å; I552-I577 HydrophobicContact CD1-CG1 3.94Å; I552-I577 HydrophobicContact CD1-CG2 4.41Å; I552-L599 HydrophobicContact CG2-CD2 4.08Å |
| 553 | C | 86.8 | Confident | 84.4 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 178.8 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | I549 D550 K557 L599 | I549-C553 WeakPolarHBondContact O-CB 3.36Å; I549-C553 PolarHBondContact O-N 3.22Å; I549-C553 PolarHBondContact O-SG 3.34Å; D550-C553 PolarHBondContact O-N 3Å; C553-K557 WeakPolarHBondContact O-CB 3.45Å; C553-K557 VanDerWaalsContact O-CG 3.26Å; C553-K557 WeakPolarHBondContact O-CG 3.33Å; C553-K557 PolarHBondContact O-N 2.81Å; C553-L599 HydrophobicContact CB-CD1 4.34Å |
| 554 | A | 82.2 | Confident | 84.1 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D550 E551 I552 K557 H558 | D550-A554 WeakPolarHBondContact O-CB 3.35Å; D550-A554 PolarHBondContact O-N 2.99Å; E551-A554 PolarHBondContact O-N 3.24Å; I552-A554 PolarHBondContact O-N 3.24Å; A554-K557 PolarHBondContact O-N 2.91Å; A554-H558 WeakPolarHBondContact O-CB 3.5Å; A554-H558 PolarHBondContact O-N 3.27Å |
| 555 | T | 86.7 | Confident | 84.2 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 179 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | F488 V542 E551 I552 H558 H559 | F488-T555 HydrophobicContact CE1-CG2 4.01Å; F488-T555 HydrophobicContact CZ-CG2 4.12Å; V542-T555 HydrophobicContact CG2-CG2 4.23Å; E551-T555 VanDerWaalsContact O-CB 3.25Å; E551-T555 WeakPolarHBondContact O-CB 3.49Å; E551-T555 PolarHBondContact O-N 3.27Å; E551-T555 PolarHBondContact O-OG1 3.29Å; I552-T555 PolarHBondContact O-N 3.48Å; T555-H558 PolarHBondContact O-N 3.03Å; T555-H559 VanDerWaalsContact O-CB 3.26Å; T555-H559 WeakPolarHBondContact O-CB 3.32Å; T555-H559 PolarHBondContact O-N 3.49Å |
| 556 | T | 87.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | L486 F488 I552 H558 H559 L560 V569 L599 F605 | L486-T556 HydrophobicContact CD2-CG2 4.37Å; F488-T556 WeakPolarHBondContact CE2-OG1 3.46Å; F488-T556 WeakPolarHBondContact CZ-OG1 3.11Å; I552-T556 WeakPolarHBondContact O-CB 3.33Å; I552-T556 PolarHBondContact O-N 3.23Å; I552-T556 PolarHBondContact O-OG1 3.09Å; T556-H558 PolarHBondContact O-N 3.47Å; T556-H559 PolarHBondContact O-N 2.81Å; T556-L560 HydrophobicContact CG2-CD1 3.73Å; T556-L560 HydrophobicContact CG2-CG 4.35Å; T556-L560 VanDerWaalsContact O-CG 3.27Å; T556-L560 WeakPolarHBondContact O-CG 3.38Å; T556-L560 PolarHBondContact O-N 3.26Å; T556-V569 HydrophobicContact CG2-CG2 3.98Å; T556-L599 HydrophobicContact CG2-CD1 4.18Å; T556-L599 HydrophobicContact CG2-CD2 4.33Å; T556-F605 HydrophobicContact CG2-CE1 4.06Å; T556-F605 HydrophobicContact CG2-CZ 3.65Å |
| 557 | K | 83 | Confident | 85.1 | Confident | 122 Ų | 122 | 55.8 Ų | 55.8 | 53% | 0.53 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.5 | -75.7 | 177.9 | 179.1 | -171.9 | 0 | 112.1 | C553 A554 H559 L560 I561 | C553-K557 WeakPolarHBondContact O-CB 3.45Å; C553-K557 VanDerWaalsContact O-CG 3.26Å; C553-K557 WeakPolarHBondContact O-CG 3.33Å; C553-K557 PolarHBondContact O-N 2.81Å; A554-K557 PolarHBondContact O-N 2.91Å; K557-H559 VanDerWaalsContact C-N 3.3Å; K557-H559 PolarHBondContact O-N 3.27Å; K557-L560 PolarHBondContact O-N 3.02Å; K557-I561 WeakPolarHBondContact O-CG1 3.23Å; K557-I561 PolarHBondContact O-N 3.01Å |
| 558 | H | 77.5 | Confident | 85.5 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 177.1 | -173.2 | 64.3 | 0 | 0 | 0 | 112.5 | A554 T555 T556 K562 | A554-H558 WeakPolarHBondContact O-CB 3.5Å; A554-H558 PolarHBondContact O-N 3.27Å; T555-H558 PolarHBondContact O-N 3.03Å; T556-H558 PolarHBondContact O-N 3.47Å; H558-K562 WeakPolarHBondContact NE2-CE 3.33Å; H558-K562 PolarHBondContact NE2-NZ 2.95Å; H558-K562 PolarHBondContact O-N 3.14Å |
| 559 | H | 85.2 | Confident | 86 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.5 | 178.3 | 74.2 | 0 | 0 | 0 | 111.8 | L486 W540 T555 T556 K557 I561 K562 H563 T566 | L486-H559 HydrophobicContact CD2-CB 4.09Å; W540-H559 AromaticContact CD1-CE1 3.91Å; W540-H559 AromaticContact CD2-CE1 3.36Å; W540-H559 AromaticContact CD2-NE2 3.88Å; W540-H559 AromaticContact CE2-CE1 3.93Å; W540-H559 AromaticContact CE3-CE1 3.61Å; W540-H559 AromaticContact CE3-NE2 3.61Å; W540-H559 AromaticContact CG-CE1 3.38Å; T555-H559 VanDerWaalsContact O-CB 3.26Å; T555-H559 WeakPolarHBondContact O-CB 3.32Å; T555-H559 PolarHBondContact O-N 3.49Å; T556-H559 PolarHBondContact O-N 2.81Å; K557-H559 VanDerWaalsContact C-N 3.3Å; K557-H559 PolarHBondContact O-N 3.27Å; H559-I561 VanDerWaalsContact C-N 3.27Å; H559-I561 PolarHBondContact O-N 3.36Å; H559-K562 CarbonylContact O-C 3.57Å; H559-K562 PolarHBondContact O-N 2.87Å; H559-H563 AromaticContact CE1-CD2 3.42Å; H559-H563 PolarHBondContact CE1-CD2 3.14Å; H559-H563 VanDerWaalsContact CE1-CD2 3.42Å; H559-H563 AromaticContact CE1-CG 3.75Å; H559-H563 AromaticContact ND1-CD2 3.58Å; H559-H563 PolarHBondContact O-N 3.4Å; H559-T566 PolarHBondContact NE2-OG1 3.48Å |
| 560 | L | 82.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -29.7 | -179.4 | -69.8 | 163.6 | 0 | 0 | 0 | 113.4 | T556 K557 K562 H563 P564 T566 F605 | T556-L560 HydrophobicContact CG2-CD1 3.73Å; T556-L560 HydrophobicContact CG2-CG 4.35Å; T556-L560 VanDerWaalsContact O-CG 3.27Å; T556-L560 WeakPolarHBondContact O-CG 3.38Å; T556-L560 PolarHBondContact O-N 3.26Å; K557-L560 PolarHBondContact O-N 3.02Å; L560-K562 VanDerWaalsContact C-N 3.3Å; L560-H563 CarbonylContact O-C 3.55Å; L560-P564 WeakPolarHBondContact O-CA 3.42Å; L560-T566 HydrophobicContact CD2-CG2 4.13Å; L560-F605 HydrophobicContact CD1-CD1 3.89Å; L560-F605 HydrophobicContact CD1-CE1 3.33Å; L560-F605 HydrophobicContact CD1-CZ 4.25Å; L560-F605 HydrophobicContact CD2-CD1 4.43Å |
| 561 | I | 75.8 | Confident | 87 | Confident | 136 Ų | 136 | 49.3 Ų | 49.3 | 70% | 0.697 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.8 | -38.1 | 172.4 | -67.8 | 165.9 | 0 | 0 | 0 | 110.8 | K557 H559 | K557-I561 WeakPolarHBondContact O-CG1 3.23Å; K557-I561 PolarHBondContact O-N 3.01Å; H559-I561 VanDerWaalsContact C-N 3.27Å; H559-I561 PolarHBondContact O-N 3.36Å |
| 562 | K | 79.6 | Confident | 87.2 | Confident | 132 Ų | 132 | 45.7 Ų | 45.7 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -83.7 | -32.6 | -179.3 | -68.2 | -176 | 175.9 | -172.8 | 0 | 113.3 | H558 H559 L560 | H558-K562 WeakPolarHBondContact NE2-CE 3.33Å; H558-K562 PolarHBondContact NE2-NZ 2.95Å; H558-K562 PolarHBondContact O-N 3.14Å; H559-K562 CarbonylContact O-C 3.57Å; H559-K562 PolarHBondContact O-N 2.87Å; L560-K562 VanDerWaalsContact C-N 3.3Å |
| 563 | H | 87 | Confident | 86.6 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | trans | -132.5 | 72.4 | -173.1 | -62.2 | -68.9 | 0 | 0 | 0 | 109.6 | W540 H559 L560 E565 T566 | W540-H563 AromaticContact CE2-CG 3.95Å; W540-H563 AromaticContact CE2-ND1 3.88Å; W540-H563 HydrophobicContact CH2-CB 4.11Å; W540-H563 AromaticContact CH2-ND1 3.97Å; W540-H563 HydrophobicContact CZ2-CB 4.19Å; W540-H563 AromaticContact CZ2-CE1 3.78Å; W540-H563 AromaticContact CZ2-CG 3.68Å; W540-H563 AromaticContact CZ2-ND1 3.33Å; W540-H563 VanDerWaalsContact CZ2-ND1 3.33Å; W540-H563 WeakPolarHBondContact CZ2-ND1 3.23Å; W540-H563 HydrophobicContact CZ3-CB 4.49Å; W540-H563 AromaticContact NE1-CE1 3.84Å; W540-H563 AromaticContact NE1-NE2 3.73Å; H559-H563 AromaticContact CE1-CD2 3.42Å; H559-H563 PolarHBondContact CE1-CD2 3.14Å; H559-H563 VanDerWaalsContact CE1-CD2 3.42Å; H559-H563 AromaticContact CE1-CG 3.75Å; H559-H563 AromaticContact ND1-CD2 3.58Å; H559-H563 PolarHBondContact O-N 3.4Å; L560-H563 CarbonylContact O-C 3.55Å; H563-E565 VanDerWaalsContact CA-OE2 3.28Å; H563-E565 WeakPolarHBondContact CA-OE2 3.41Å; H563-E565 IonicContact CG-OE1 3.11Å; H563-E565 IonicContact ND1-OE1 3.73Å; H563-E565 PolarHBondContact ND1-OE1 3.2Å; H563-E565 PolarHBondContact O-N 3.43Å; H563-T566 WeakPolarHBondContact O-CB 3.47Å; H563-T566 PolarHBondContact O-N 3.05Å; H563-T566 PolarHBondContact O-OG1 3.47Å | ||
| 564 | P | 84.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 66% | 0.662 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.3 | -179.9 | 27.4 | -35.6 | 0 | 0 | 0 | 113.3 | L560 T566 | L560-P564 WeakPolarHBondContact O-CA 3.42Å; P564-T566 PolarHBondContact O-N 2.82Å |
| 565 | E | 88 | Confident | 85.9 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.4 | 173.9 | 67.7 | -84.3 | -165.7 | 0 | 0 | 114.2 | G484 W540 H563 A567 | G484-E565 PolarHBondContact N-O 3.06Å; W540-E565 HydrophobicContact CH2-CG 4.03Å; W540-E565 VanDerWaalsContact CH2-OE1 3.3Å; W540-E565 WeakPolarHBondContact CH2-OE1 3.31Å; H563-E565 VanDerWaalsContact CA-OE2 3.28Å; H563-E565 WeakPolarHBondContact CA-OE2 3.41Å; H563-E565 IonicContact CG-OE1 3.11Å; H563-E565 IonicContact ND1-OE1 3.73Å; H563-E565 PolarHBondContact ND1-OE1 3.2Å; H563-E565 PolarHBondContact O-N 3.43Å; E565-A567 PolarHBondContact O-N 3.47Å |
| 566 | T | 90.8 | Very high | 85.5 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 109.5 | 179.3 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | G484 L486 W540 H559 L560 H563 P564 | G484-T566 CarbonylContact O-C 3.58Å; G484-T566 WeakPolarHBondContact O-CA 3.44Å; L486-T566 HydrophobicContact CB-CG2 4.09Å; W540-T566 WeakPolarHBondContact CZ3-OG1 3.38Å; H559-T566 PolarHBondContact NE2-OG1 3.48Å; L560-T566 HydrophobicContact CD2-CG2 4.13Å; H563-T566 WeakPolarHBondContact O-CB 3.47Å; H563-T566 PolarHBondContact O-N 3.05Å; H563-T566 PolarHBondContact O-OG1 3.47Å; P564-T566 PolarHBondContact O-N 2.82Å |
| 567 | A | 91.2 | Very high | 85.3 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -13 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L437 H483 G484 E565 P606 | L437-A567 HydrophobicContact CD1-CB 4.17Å; L437-A567 HydrophobicContact CD2-CB 4.34Å; H483-A567 HydrophobicContact CB-CB 3.85Å; G484-A567 PolarHBondContact O-N 3.36Å; E565-A567 PolarHBondContact O-N 3.47Å; A567-P606 VanDerWaalsContact O-CD 3.29Å; A567-P606 WeakPolarHBondContact O-CD 3.47Å |
| 568 | L | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 138.1 | -177.5 | 176.8 | 65.9 | 0 | 0 | 0 | 111.3 | L437 M451 I474 V478 G484 V485 L486 V570 P606 I608 | L437-L568 HydrophobicContact CD2-CB 3.77Å; L437-L568 HydrophobicContact CD2-CD1 4.36Å; L437-L568 HydrophobicContact CD2-CG 4.45Å; M451-L568 HydrophobicContact CE-CD1 4.32Å; I474-L568 HydrophobicContact CG2-CD2 4.27Å; V478-L568 HydrophobicContact CG1-CB 4.44Å; V478-L568 HydrophobicContact CG1-CD2 4.44Å; V478-L568 HydrophobicContact CG2-CD2 4.22Å; G484-L568 PolarHBondContact O-N 2.81Å; V485-L568 WeakPolarHBondContact CA-O 3.34Å; V485-L568 HydrophobicContact CG1-CB 4.43Å; V485-L568 HydrophobicContact CG1-CD2 4.37Å; V485-L568 HydrophobicContact CG1-CG 4.38Å; V485-L568 HydrophobicContact CG2-CB 4.16Å; V485-L568 HydrophobicContact CG2-CD2 4.33Å; L486-L568 PolarHBondContact N-O 3.37Å; L568-V570 HydrophobicContact CD1-CG2 4.45Å; L568-V570 HydrophobicContact CD2-CG2 3.93Å; L568-V570 HydrophobicContact CG-CG2 3.88Å; L568-P606 HydrophobicContact CD1-CB 4.43Å; L568-P606 HydrophobicContact CD1-CG 4.19Å; L568-P606 WeakPolarHBondContact CD1-O 3.39Å; L568-I608 HydrophobicContact CD1-CD1 3.88Å; L568-I608 HydrophobicContact CD1-CG1 3.95Å; L568-I608 HydrophobicContact CD2-CD1 4.09Å |
| 569 | V | 95.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.5 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | L486 F488 T556 F605 P606 L607 I608 | L486-V569 HydrophobicContact CB-CG2 4.38Å; L486-V569 CarbonylContact O-C 3.55Å; L486-V569 WeakPolarHBondContact O-CA 3.33Å; F488-V569 HydrophobicContact CD2-CG1 4.11Å; F488-V569 HydrophobicContact CE2-CG1 3.91Å; T556-V569 HydrophobicContact CG2-CG2 3.98Å; V569-F605 HydrophobicContact CB-CD2 4.1Å; V569-F605 HydrophobicContact CB-CE2 3.76Å; V569-F605 HydrophobicContact CG2-CD2 3.67Å; V569-F605 HydrophobicContact CG2-CE1 4.41Å; V569-F605 HydrophobicContact CG2-CE2 3.37Å; V569-F605 HydrophobicContact CG2-CG 4.33Å; V569-F605 HydrophobicContact CG2-CZ 3.79Å; V569-P606 PolarHBondContact N-O 3.29Å; V569-L607 HydrophobicContact CB-CD1 4.43Å; V569-L607 HydrophobicContact CB-CG 4.32Å; V569-L607 HydrophobicContact CG1-CD1 4.26Å; V569-L607 HydrophobicContact CG1-CG 4.41Å; V569-L607 CarbonylContact O-C 3.48Å; V569-L607 WeakPolarHBondContact O-CA 3.4Å; V569-I608 PolarHBondContact O-N 3.17Å |
| 570 | V | 96.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.5 | -179.1 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | A471 I475 V485 L486 L487 F488 L568 I608 | A471-V570 HydrophobicContact CB-CG1 4.32Å; I475-V570 HydrophobicContact CD1-CB 4.27Å; I475-V570 HydrophobicContact CD1-CG1 4.47Å; I475-V570 HydrophobicContact CD1-CG2 3.92Å; I475-V570 HydrophobicContact CG1-CG2 4.05Å; V485-V570 HydrophobicContact CG1-CG2 4.14Å; L486-V570 PolarHBondContact O-N 3.35Å; L487-V570 CarbonylContact C-O 3.45Å; L487-V570 WeakPolarHBondContact CA-O 3.31Å; L487-V570 HydrophobicContact CD1-CB 3.71Å; L487-V570 HydrophobicContact CD1-CG1 3.65Å; F488-V570 PolarHBondContact N-O 3.35Å; L568-V570 HydrophobicContact CD1-CG2 4.45Å; L568-V570 HydrophobicContact CD2-CG2 3.93Å; L568-V570 HydrophobicContact CG-CG2 3.88Å; V570-I608 CarbonylContact C-O 3.57Å; V570-I608 VanDerWaalsContact CA-O 3.31Å; V570-I608 WeakPolarHBondContact CA-O 3.5Å; V570-I608 HydrophobicContact CG1-CB 4.32Å; V570-I608 HydrophobicContact CG1-CG2 4.3Å; V570-I608 HydrophobicContact CG2-CB 4.25Å |
| 571 | V | 94 | Very high | 82.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.7 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | F488 I577 L596 L607 I608 L610 | F488-V571 HydrophobicContact CB-CG1 4.35Å; F488-V571 HydrophobicContact CB-CG2 4.37Å; F488-V571 HydrophobicContact CD2-CG2 4.14Å; V571-I577 HydrophobicContact CG1-CD1 4.08Å; V571-L596 HydrophobicContact CG2-CD2 4.43Å; V571-L607 HydrophobicContact CG2-CD2 4.37Å; V571-I608 PolarHBondContact N-O 3.47Å; V571-L610 PolarHBondContact O-N 2.89Å |
| 572 | D | 90.8 | Very high | 81.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 105.1 | 177.9 | -171 | 1.3 | 0 | 0 | 0 | 111.6 | K467 T468 F488 M490 L610 | K467-D572 IonicContact NZ-OD1 3.99Å; T468-D572 VanDerWaalsContact CG2-OD2 3.24Å; T468-D572 WeakPolarHBondContact CG2-OD2 3.27Å; T468-D572 PolarHBondContact OG1-OD2 3.47Å; F488-D572 PolarHBondContact O-N 3.19Å; M490-D572 PolarHBondContact N-O 2.9Å; D572-L610 HydrophobicContact CB-CD1 3.77Å; D572-L610 HydrophobicContact CB-CG 4.22Å |
| 573 | Y | 77.4 | Confident | 80.6 | Confident | 35 Ų | 35 | 50 Ų | 50 | 14% | 0.137 | 28% | 0.28 | C | S | . | . | cis | -133.6 | 163.6 | -8.7 | 67.7 | -81.2 | 0 | 0 | 0 | 110.1 | E491 G575 L576 L610 Q612 | E491-Y573 HydrophobicContact CB-CD1 4.34Å; E491-Y573 HydrophobicContact CB-CE1 4.36Å; E491-Y573 HydrophobicContact CG-CE1 4.4Å; E491-Y573 WeakPolarHBondContact OE2-CD1 3.45Å; E491-Y573 WeakPolarHBondContact OE2-CE1 3.45Å; Y573-G575 PolarHBondContact O-N 3.42Å; Y573-L576 HydrophobicContact CD1-CD1 3.9Å; Y573-L576 HydrophobicContact CD1-CG 4.14Å; Y573-L576 HydrophobicContact CE1-CD1 3.55Å; Y573-L576 HydrophobicContact CE1-CD2 4.34Å; Y573-L576 HydrophobicContact CE1-CG 3.66Å; Y573-L576 PolarHBondContact O-N 3.42Å; Y573-L610 WeakPolarHBondContact CB-O 3.27Å; Y573-Q612 HydrophobicContact CD2-CB 4.46Å; Y573-Q612 HydrophobicContact CE2-CB 4.24Å | ||
| 574 | L | 79.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -52.5 | -31.4 | -169.1 | -171.7 | 141.8 | 0 | 0 | 0 | 114.7 | F458 L576 I577 V589 I592 L596 L610 I636 | F458-L574 HydrophobicContact CE1-CD1 3.56Å; F458-L574 HydrophobicContact CZ-CD1 3.76Å; L574-L576 PolarHBondContact O-N 3.44Å; L574-I577 PolarHBondContact O-N 2.9Å; L574-V589 HydrophobicContact CD2-CG1 3.85Å; L574-V589 HydrophobicContact CD2-CG2 4.28Å; L574-I592 HydrophobicContact CD1-CG2 3.96Å; L574-I592 HydrophobicContact CD2-CG2 4.36Å; L574-I592 HydrophobicContact CG-CG2 3.84Å; L574-L596 HydrophobicContact CD1-CD1 3.97Å; L574-L610 WeakPolarHBondContact CB-O 3.22Å; L574-L610 PolarHBondContact N-O 3.25Å; L574-I636 HydrophobicContact CD2-CD1 4.49Å |
| 575 | G | 74.4 | Confident | 78.1 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -71.9 | -7.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y573 | Y573-G575 PolarHBondContact O-N 3.42Š|
| 576 | L | 80 | Confident | 76.8 | Confident | 56 Ų | 56 | 57 Ų | 57 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -101.2 | -5.6 | 178.5 | -63.4 | 178.4 | 0 | 0 | 0 | 113.4 | M490 E491 Y573 L574 K578 | M490-L576 HydrophobicContact CB-CB 3.88Å; M490-L576 HydrophobicContact CB-CD1 3.74Å; M490-L576 HydrophobicContact CB-CG 4.48Å; M490-L576 HydrophobicContact CE-CB 4.1Å; M490-L576 WeakPolarHBondContact CE-O 3.48Å; M490-L576 HydrophobicContact SD-CB 4.05Å; E491-L576 HydrophobicContact CB-CD1 3.86Å; Y573-L576 HydrophobicContact CD1-CD1 3.9Å; Y573-L576 HydrophobicContact CD1-CG 4.14Å; Y573-L576 HydrophobicContact CE1-CD1 3.55Å; Y573-L576 HydrophobicContact CE1-CD2 4.34Å; Y573-L576 HydrophobicContact CE1-CG 3.66Å; Y573-L576 PolarHBondContact O-N 3.42Å; L574-L576 PolarHBondContact O-N 3.44Å; L576-K578 PolarHBondContact O-N 2.84Å |
| 577 | I | 81.8 | Confident | 75.6 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 124.7 | 177.1 | -61.3 | 172.3 | 0 | 0 | 0 | 108.8 | M490 L547 I552 V571 L574 I592 L596 | M490-I577 HydrophobicContact SD-CG1 3.92Å; L547-I577 CarbonylContact O-C 3.55Å; L547-I577 WeakPolarHBondContact O-CA 3.46Å; L547-I577 WeakPolarHBondContact O-CG2 3.05Å; I552-I577 HydrophobicContact CD1-CD1 3.79Å; I552-I577 HydrophobicContact CD1-CG1 3.94Å; I552-I577 HydrophobicContact CD1-CG2 4.41Å; V571-I577 HydrophobicContact CG1-CD1 4.08Å; L574-I577 PolarHBondContact O-N 2.9Å; I577-I592 HydrophobicContact CB-CD1 3.9Å; I577-I592 HydrophobicContact CB-CG1 4.32Å; I577-I592 HydrophobicContact CB-CG2 4.28Å; I577-I592 HydrophobicContact CD1-CG2 3.58Å; I577-I592 HydrophobicContact CG2-CD1 3.98Å; I577-I592 HydrophobicContact CG2-CG1 3.92Å; I577-I592 HydrophobicContact CG2-CG2 4.21Å; I577-L596 HydrophobicContact CD1-CD1 4.46Å |
| 578 | K | 78.5 | Confident | 74.7 | Confident | 122 Ų | 122 | 60.5 Ų | 60.5 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 129.3 | -177.4 | -174.1 | 177.9 | 179.5 | -177.6 | 0 | 110.5 | N546 L547 T548 L576 | N546-K578 HydrophobicContact CB-CD 4.28Å; N546-K578 WeakPolarHBondContact O-CB 3.31Å; L547-K578 PolarHBondContact O-N 3.39Å; T548-K578 HydrophobicContact CG2-CB 4.25Å; L576-K578 PolarHBondContact O-N 2.84Å |
| 579 | T | 74.3 | Confident | 73.8 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 27% | 0.27 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 143.8 | 170.2 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | T581 A588 I592 | T579-T581 VanDerWaalsContact C-N 3.3Å; T579-A588 HydrophobicContact CG2-CB 3.6Å; T579-I592 HydrophobicContact CG2-CD1 3.64Å; T579-I592 HydrophobicContact CG2-CG1 3.89Å |
| 580 | R | 64.6 | Low | 73 | Confident | 193 Ų | 193 | 60.9 Ų | 60.9 | 73% | 0.728 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -75.5 | -20.5 | 178.8 | -67.4 | -176.4 | 178.7 | -174.5 | 1.8 | 112.7 | D550 | D550-R580 IonicContact OD2-CZ 3.76Å; D550-R580 IonicContact OD2-NE 2.84Å; D550-R580 IonicContact OD2-NH1 3.74Å; D550-R580 IonicContact OD2-NH2 3.94Å |
| 581 | T | 59.2 | Low | 72.3 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | trans | -94.1 | 125.7 | -176.1 | -46.4 | 0 | 0 | 0 | 0 | 110.4 | T579 G583 | T579-T581 VanDerWaalsContact C-N 3.3Å; T581-G583 PolarHBondContact O-N 2.73Å | ||
| 582 | T | 53.1 | Low | 72 | Confident | 155 Ų | 155 | 66.2 Ų | 66.2 | 95% | 0.951 | 34% | 0.341 | S | S | * | . | trans | -72.4 | 19.9 | 171.9 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 583 | G | 56 | Low | 71.8 | Confident | 42 Ų | 42 | 66 Ų | 66 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -73 | 179.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | T581 H585 | T581-G583 PolarHBondContact O-N 2.73Å; G583-H585 PolarHBondContact O-N 3.4Å |
| 584 | R | 57.8 | Low | 72.3 | Confident | 176 Ų | 176 | 70.2 Ų | 70.2 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | trans | -56 | 135.1 | 175.8 | -64.4 | 179.3 | 173.3 | 168.5 | 0.4 | 110.1 | D586 L587 A588 | R584-D586 WeakPolarHBondContact CB-OD1 3.4Å; R584-D586 PolarHBondContact O-N 3.04Å; R584-D586 VanDerWaalsContact O-N 3.12Å; R584-L587 PolarHBondContact O-N 3.04Å; R584-A588 PolarHBondContact O-N 2.7Å | ||
| 585 | H | 62.2 | Low | 72.7 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 62% | 0.616 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.4 | -18.8 | -173.9 | -166 | -52.2 | 0 | 0 | 0 | 113.8 | G583 V589 N632 | G583-H585 PolarHBondContact O-N 3.4Å; H585-V589 WeakPolarHBondContact O-CG2 3.33Å; H585-V589 PolarHBondContact O-N 3.22Å; H585-N632 PolarHBondContact O-ND2 3.11Å |
| 586 | D | 60.8 | Low | 73.6 | Confident | 66 Ų | 66 | 69.1 Ų | 69.1 | 35% | 0.353 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.2 | -53.3 | 172.1 | 52.3 | -12 | 0 | 0 | 0 | 111.4 | R584 A588 V589 G590 N632 | R584-D586 WeakPolarHBondContact CB-OD1 3.4Å; R584-D586 PolarHBondContact O-N 3.04Å; R584-D586 VanDerWaalsContact O-N 3.12Å; D586-A588 PolarHBondContact O-N 2.81Å; D586-V589 PolarHBondContact O-N 3.44Å; D586-G590 PolarHBondContact O-N 2.92Å; D586-N632 HydrophobicContact CB-CB 4.44Å |
| 587 | L | 65.7 | Low | 74.2 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -38 | 177.9 | -65.6 | 170.4 | 0 | 0 | 0 | 112.1 | R584 V589 G590 E591 | R584-L587 PolarHBondContact O-N 3.04Å; L587-V589 VanDerWaalsContact C-N 3.31Å; L587-V589 PolarHBondContact O-N 3.22Å; L587-G590 PolarHBondContact O-N 3.4Å; L587-E591 WeakPolarHBondContact O-CG 3.33Å; L587-E591 PolarHBondContact O-N 3.19Å |
| 588 | A | 71.9 | Confident | 74.6 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T579 R584 D586 I592 | T579-A588 HydrophobicContact CG2-CB 3.6Å; R584-A588 PolarHBondContact O-N 2.7Å; D586-A588 PolarHBondContact O-N 2.81Å; A588-I592 WeakPolarHBondContact O-CD1 3.35Å; A588-I592 VanDerWaalsContact O-CG1 3.27Å; A588-I592 WeakPolarHBondContact O-CG1 3.38Å; A588-I592 PolarHBondContact O-N 2.88Å |
| 589 | V | 76.1 | Confident | 75.2 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.3 | -36.5 | 179.7 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | L574 H585 D586 L587 I592 S593 N632 I636 | L574-V589 HydrophobicContact CD2-CG1 3.85Å; L574-V589 HydrophobicContact CD2-CG2 4.28Å; H585-V589 WeakPolarHBondContact O-CG2 3.33Å; H585-V589 PolarHBondContact O-N 3.22Å; D586-V589 PolarHBondContact O-N 3.44Å; L587-V589 VanDerWaalsContact C-N 3.31Å; L587-V589 PolarHBondContact O-N 3.22Å; V589-I592 PolarHBondContact O-N 2.95Å; V589-S593 WeakPolarHBondContact O-CB 3.36Å; V589-S593 PolarHBondContact O-N 2.99Å; V589-N632 HydrophobicContact CB-CB 4.47Å; V589-N632 HydrophobicContact CG1-CB 4.32Å; V589-I636 HydrophobicContact CG1-CD1 3.6Å; V589-I636 HydrophobicContact CG1-CG1 3.67Å |
| 590 | G | 79.1 | Confident | 76 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D586 L587 I592 S593 K594 E635 | D586-G590 PolarHBondContact O-N 2.92Å; L587-G590 PolarHBondContact O-N 3.4Å; G590-I592 VanDerWaalsContact C-N 3.33Å; G590-I592 PolarHBondContact O-N 3Å; G590-S593 PolarHBondContact O-N 3.21Å; G590-K594 WeakPolarHBondContact O-CB 3.47Å; G590-K594 WeakPolarHBondContact O-CG 3.42Å; G590-K594 PolarHBondContact O-N 3.03Å; G590-E635 WeakPolarHBondContact CA-OE2 3.29Å; G590-E635 PolarHBondContact N-OE2 2.87Å |
| 591 | E | 81.9 | Confident | 77.2 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.6 | -74.1 | 178.8 | 175 | 0 | 0 | 111.4 | L587 G595 | L587-E591 WeakPolarHBondContact O-CG 3.33Å; L587-E591 PolarHBondContact O-N 3.19Å; E591-G595 PolarHBondContact O-N 3.13Å |
| 592 | I | 86.7 | Confident | 78.3 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 176.6 | -65.8 | 161.6 | 0 | 0 | 0 | 110.8 | L574 I577 T579 A588 V589 G590 K594 G595 L596 | L574-I592 HydrophobicContact CD1-CG2 3.96Å; L574-I592 HydrophobicContact CD2-CG2 4.36Å; L574-I592 HydrophobicContact CG-CG2 3.84Å; I577-I592 HydrophobicContact CB-CD1 3.9Å; I577-I592 HydrophobicContact CB-CG1 4.32Å; I577-I592 HydrophobicContact CB-CG2 4.28Å; I577-I592 HydrophobicContact CD1-CG2 3.58Å; I577-I592 HydrophobicContact CG2-CD1 3.98Å; I577-I592 HydrophobicContact CG2-CG1 3.92Å; I577-I592 HydrophobicContact CG2-CG2 4.21Å; T579-I592 HydrophobicContact CG2-CD1 3.64Å; T579-I592 HydrophobicContact CG2-CG1 3.89Å; A588-I592 WeakPolarHBondContact O-CD1 3.35Å; A588-I592 VanDerWaalsContact O-CG1 3.27Å; A588-I592 WeakPolarHBondContact O-CG1 3.38Å; A588-I592 PolarHBondContact O-N 2.88Å; V589-I592 PolarHBondContact O-N 2.95Å; G590-I592 VanDerWaalsContact C-N 3.33Å; G590-I592 PolarHBondContact O-N 3Å; I592-K594 PolarHBondContact O-N 3.15Å; I592-G595 PolarHBondContact O-N 2.88Å; I592-L596 HydrophobicContact CG2-CD1 4.08Å; I592-L596 HydrophobicContact CG2-CG 4.37Å; I592-L596 WeakPolarHBondContact O-CG 3.42Å; I592-L596 PolarHBondContact O-N 2.81Å |
| 593 | S | 87.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | V589 G590 G595 L596 K597 D639 | V589-S593 WeakPolarHBondContact O-CB 3.36Å; V589-S593 PolarHBondContact O-N 2.99Å; G590-S593 PolarHBondContact O-N 3.21Å; S593-G595 PolarHBondContact O-N 2.86Å; S593-L596 PolarHBondContact O-N 3.48Å; S593-K597 PolarHBondContact O-N 2.8Å; S593-D639 WeakPolarHBondContact CB-OD2 3.13Å; S593-D639 VanDerWaalsContact OG-CB 3.27Å; S593-D639 WeakPolarHBondContact OG-CB 3.23Å; S593-D639 PolarHBondContact OG-OD2 3.45Å |
| 594 | K | 87.3 | Confident | 81 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 53% | 0.53 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.3 | -74.1 | 174.9 | -177.3 | 163.8 | 0 | 112.6 | G590 I592 K597 G598 D639 | G590-K594 WeakPolarHBondContact O-CB 3.47Å; G590-K594 WeakPolarHBondContact O-CG 3.42Å; G590-K594 PolarHBondContact O-N 3.03Å; I592-K594 PolarHBondContact O-N 3.15Å; K594-K597 PolarHBondContact O-N 3.17Å; K594-G598 PolarHBondContact O-N 2.99Å; K594-D639 WeakPolarHBondContact CG-OD2 3.42Å; K594-D639 PolarHBondContact N-OD2 3.42Å |
| 595 | G | 88.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E591 I592 S593 G598 L599 | E591-G595 PolarHBondContact O-N 3.13Å; I592-G595 PolarHBondContact O-N 2.88Å; S593-G595 PolarHBondContact O-N 2.86Å; G595-G598 PolarHBondContact O-N 2.96Å; G595-L599 PolarHBondContact O-N 2.95Å |
| 596 | L | 92.3 | Very high | 84 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.8 | -68.6 | 176.4 | 0 | 0 | 0 | 111.9 | L456 I549 V571 L574 I577 I592 S593 G598 L599 A600 L607 A609 | L456-L596 HydrophobicContact CD1-CB 4.15Å; L456-L596 HydrophobicContact CD2-CB 4.45Å; I549-L596 HydrophobicContact CD1-CD2 3.63Å; I549-L596 HydrophobicContact CD1-CG 3.84Å; V571-L596 HydrophobicContact CG2-CD2 4.43Å; L574-L596 HydrophobicContact CD1-CD1 3.97Å; I577-L596 HydrophobicContact CD1-CD1 4.46Å; I592-L596 HydrophobicContact CG2-CD1 4.08Å; I592-L596 HydrophobicContact CG2-CG 4.37Å; I592-L596 WeakPolarHBondContact O-CG 3.42Å; I592-L596 PolarHBondContact O-N 2.81Å; S593-L596 PolarHBondContact O-N 3.48Å; L596-G598 VanDerWaalsContact C-N 3.31Å; L596-G598 PolarHBondContact O-N 3.14Å; L596-L599 PolarHBondContact O-N 3.11Å; L596-A600 PolarHBondContact O-N 2.91Å; L596-L607 HydrophobicContact CB-CD1 4.5Å; L596-L607 HydrophobicContact CB-CD2 4.36Å; L596-L607 HydrophobicContact CD1-CD2 4.45Å; L596-L607 HydrophobicContact CD2-CD1 4.03Å; L596-L607 HydrophobicContact CD2-CD2 4.27Å; L596-A609 HydrophobicContact CD1-CB 4.12Å |
| 597 | K | 92.5 | Very high | 85.7 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.7 | -176 | 57 | 176.8 | 169.8 | 0 | 111.9 | G454 L456 S593 K594 K601 D641 | G454-K597 PolarHBondContact O-NZ 3.36Å; L456-K597 HydrophobicContact CB-CD 3.83Å; L456-K597 HydrophobicContact CD2-CB 3.92Å; L456-K597 HydrophobicContact CD2-CD 4.49Å; S593-K597 PolarHBondContact O-N 2.8Å; K594-K597 PolarHBondContact O-N 3.17Å; K597-K601 WeakPolarHBondContact O-CB 3.36Å; K597-K601 WeakPolarHBondContact O-CG 3.42Å; K597-K601 PolarHBondContact O-N 3.47Å; K597-D641 WeakPolarHBondContact CE-OD2 3.2Å; K597-D641 IonicContact NZ-OD1 3.36Å; K597-D641 PolarHBondContact NZ-OD1 2.92Å; K597-D641 IonicContact NZ-OD2 3.75Å; K597-D641 PolarHBondContact NZ-OD2 3.31Å |
| 598 | G | 90 | Very high | 87.1 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 37% | 0.371 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K594 G595 L596 K601 S602 | K594-G598 PolarHBondContact O-N 2.99Å; G595-G598 PolarHBondContact O-N 2.96Å; L596-G598 VanDerWaalsContact C-N 3.31Å; L596-G598 PolarHBondContact O-N 3.14Å; G598-K601 PolarHBondContact O-N 2.91Å; G598-S602 VanDerWaalsContact O-CB 3.3Å; G598-S602 WeakPolarHBondContact O-CB 3.36Å; G598-S602 PolarHBondContact O-N 2.85Å; G598-S602 PolarHBondContact O-OG 2.66Å |
| 599 | L | 90.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 175.9 | -179.8 | 59 | 0 | 0 | 0 | 111.4 | I552 C553 T556 G595 L596 K601 S602 G603 F605 L607 | I552-L599 HydrophobicContact CG2-CD2 4.08Å; C553-L599 HydrophobicContact CB-CD1 4.34Å; T556-L599 HydrophobicContact CG2-CD1 4.18Å; T556-L599 HydrophobicContact CG2-CD2 4.33Å; G595-L599 PolarHBondContact O-N 2.95Å; L596-L599 PolarHBondContact O-N 3.11Å; L599-K601 PolarHBondContact O-N 3.04Å; L599-S602 PolarHBondContact O-N 3.37Å; L599-S602 PolarHBondContact O-OG 2.8Å; L599-G603 PolarHBondContact O-N 2.84Å; L599-F605 HydrophobicContact CD1-CZ 4.21Å; L599-F605 HydrophobicContact CG-CZ 3.97Å; L599-L607 HydrophobicContact CD2-CD1 4.07Å; L599-L607 HydrophobicContact CG-CD1 4.43Å |
| 600 | A | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | G454 L596 G603 G604 L607 | G454-A600 WeakPolarHBondContact CA-O 3.25Å; L596-A600 PolarHBondContact O-N 2.91Å; A600-G603 PolarHBondContact O-N 3.26Å; A600-G604 PolarHBondContact O-N 2.9Å; A600-L607 HydrophobicContact CB-CB 3.94Å |
| 601 | K | 88.4 | Confident | 89.6 | Confident | 146 Ų | 146 | 31 Ų | 31 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -63.3 | -45.9 | 179.2 | -80.3 | -174 | 161.8 | -173.6 | 0 | 113.4 | K597 G598 L599 G603 | K597-K601 WeakPolarHBondContact O-CB 3.36Å; K597-K601 WeakPolarHBondContact O-CG 3.42Å; K597-K601 PolarHBondContact O-N 3.47Å; G598-K601 PolarHBondContact O-N 2.91Å; L599-K601 PolarHBondContact O-N 3.04Å; K601-G603 VanDerWaalsContact C-N 3.34Å |
| 602 | S | 83.1 | Confident | 89.9 | Confident | 84 Ų | 84 | 27.9 Ų | 27.9 | 59% | 0.587 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -74.1 | -27 | -178.1 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | G598 L599 | G598-S602 VanDerWaalsContact O-CB 3.3Å; G598-S602 WeakPolarHBondContact O-CB 3.36Å; G598-S602 PolarHBondContact O-N 2.85Å; G598-S602 PolarHBondContact O-OG 2.66Å; L599-S602 PolarHBondContact O-N 3.37Å; L599-S602 PolarHBondContact O-OG 2.8Å |
| 603 | G | 80.3 | Confident | 89.9 | Confident | 35 Ų | 35 | 27.5 Ų | 27.5 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -89.7 | -16 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L599 A600 K601 F605 | L599-G603 PolarHBondContact O-N 2.84Å; A600-G603 PolarHBondContact O-N 3.26Å; K601-G603 VanDerWaalsContact C-N 3.34Å; G603-F605 VanDerWaalsContact C-CD1 3.49Å; G603-F605 VanDerWaalsContact CA-CE1 3.45Å; G603-F605 VanDerWaalsContact O-CD1 3.27Å; G603-F605 WeakPolarHBondContact O-CD1 3.35Å |
| 604 | G | 85.1 | Confident | 89.8 | Confident | 47 Ų | 47 | 29.1 Ų | 29.1 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 29.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P453 A600 | P453-G604 WeakPolarHBondContact CB-O 3.15Å; A600-G604 PolarHBondContact O-N 2.9Å |
| 605 | F | 89.9 | Confident | 89.6 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -134.1 | 154.2 | 177.6 | 53.3 | -100.1 | 0 | 0 | 0 | 110.8 | G454 T556 L560 V569 L599 G603 L607 | G454-F605 PolarHBondContact N-O 3.12Å; G454-F605 VanDerWaalsContact N-O 3.11Å; T556-F605 HydrophobicContact CG2-CE1 4.06Å; T556-F605 HydrophobicContact CG2-CZ 3.65Å; L560-F605 HydrophobicContact CD1-CD1 3.89Å; L560-F605 HydrophobicContact CD1-CE1 3.33Å; L560-F605 HydrophobicContact CD1-CZ 4.25Å; L560-F605 HydrophobicContact CD2-CD1 4.43Å; V569-F605 HydrophobicContact CB-CD2 4.1Å; V569-F605 HydrophobicContact CB-CE2 3.76Å; V569-F605 HydrophobicContact CG2-CD2 3.67Å; V569-F605 HydrophobicContact CG2-CE1 4.41Å; V569-F605 HydrophobicContact CG2-CE2 3.37Å; V569-F605 HydrophobicContact CG2-CG 4.33Å; V569-F605 HydrophobicContact CG2-CZ 3.79Å; L599-F605 HydrophobicContact CD1-CZ 4.21Å; L599-F605 HydrophobicContact CG-CZ 3.97Å; G603-F605 VanDerWaalsContact C-CD1 3.49Å; G603-F605 VanDerWaalsContact CA-CE1 3.45Å; G603-F605 VanDerWaalsContact O-CD1 3.27Å; G603-F605 WeakPolarHBondContact O-CD1 3.35Å; F605-L607 HydrophobicContact CE2-CB 4.43Å; F605-L607 HydrophobicContact CE2-CD1 4.32Å |
| 606 | P | 94 | Very high | 89.4 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | trans | -68.4 | 142.3 | 166.7 | 28.6 | -36.1 | 0 | 0 | 0 | 111.7 | L437 M451 D455 A567 L568 V569 | L437-P606 HydrophobicContact CB-CG 4.03Å; L437-P606 HydrophobicContact CD2-CG 3.68Å; M451-P606 HydrophobicContact CB-CB 3.65Å; M451-P606 HydrophobicContact CB-CG 4.04Å; M451-P606 HydrophobicContact SD-CB 4.36Å; D455-P606 WeakPolarHBondContact O-CA 3.39Å; A567-P606 VanDerWaalsContact O-CD 3.29Å; A567-P606 WeakPolarHBondContact O-CD 3.47Å; L568-P606 HydrophobicContact CD1-CB 4.43Å; L568-P606 HydrophobicContact CD1-CG 4.19Å; L568-P606 WeakPolarHBondContact CD1-O 3.39Å; V569-P606 PolarHBondContact N-O 3.29Å | ||
| 607 | L | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.4 | 176.7 | -169.5 | 153.6 | 0 | 0 | 0 | 110.4 | D455 L456 V457 V569 V571 L596 L599 A600 F605 A609 | D455-L607 PolarHBondContact O-N 2.91Å; L456-L607 HydrophobicContact CD1-CB 4.29Å; L456-L607 HydrophobicContact CD1-CD2 3.51Å; L456-L607 HydrophobicContact CD1-CG 4.45Å; V457-L607 PolarHBondContact N-O 2.83Å; V569-L607 HydrophobicContact CB-CD1 4.43Å; V569-L607 HydrophobicContact CB-CG 4.32Å; V569-L607 HydrophobicContact CG1-CD1 4.26Å; V569-L607 HydrophobicContact CG1-CG 4.41Å; V569-L607 CarbonylContact O-C 3.48Å; V569-L607 WeakPolarHBondContact O-CA 3.4Å; V571-L607 HydrophobicContact CG2-CD2 4.37Å; L596-L607 HydrophobicContact CB-CD1 4.5Å; L596-L607 HydrophobicContact CB-CD2 4.36Å; L596-L607 HydrophobicContact CD1-CD2 4.45Å; L596-L607 HydrophobicContact CD2-CD1 4.03Å; L596-L607 HydrophobicContact CD2-CD2 4.27Å; L599-L607 HydrophobicContact CD2-CD1 4.07Å; L599-L607 HydrophobicContact CG-CD1 4.43Å; A600-L607 HydrophobicContact CB-CB 3.94Å; F605-L607 HydrophobicContact CE2-CB 4.43Å; F605-L607 HydrophobicContact CE2-CD1 4.32Å; L607-A609 HydrophobicContact CD2-CB 4.09Å |
| 608 | I | 96.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.1 | 173 | -64.6 | 170.1 | 0 | 0 | 0 | 109.6 | M451 V457 I459 I474 L568 V569 V570 V571 L610 | M451-I608 HydrophobicContact SD-CD1 4.03Å; M451-I608 HydrophobicContact SD-CG1 4.2Å; V457-I608 HydrophobicContact CB-CG1 4.06Å; V457-I608 HydrophobicContact CG1-CG1 4.39Å; V457-I608 CarbonylContact O-C 3.51Å; V457-I608 VanDerWaalsContact O-CA 3.31Å; V457-I608 WeakPolarHBondContact O-CA 3.3Å; I459-I608 HydrophobicContact CD1-CG2 3.69Å; I459-I608 HydrophobicContact CG1-CG2 4.07Å; I474-I608 HydrophobicContact CD1-CD1 4.3Å; I474-I608 HydrophobicContact CG2-CD1 4.09Å; L568-I608 HydrophobicContact CD1-CD1 3.88Å; L568-I608 HydrophobicContact CD1-CG1 3.95Å; L568-I608 HydrophobicContact CD2-CD1 4.09Å; V569-I608 PolarHBondContact O-N 3.17Å; V570-I608 CarbonylContact C-O 3.57Å; V570-I608 VanDerWaalsContact CA-O 3.31Å; V570-I608 WeakPolarHBondContact CA-O 3.5Å; V570-I608 HydrophobicContact CG1-CB 4.32Å; V570-I608 HydrophobicContact CG1-CG2 4.3Å; V570-I608 HydrophobicContact CG2-CB 4.25Å; V571-I608 PolarHBondContact N-O 3.47Å; I608-L610 HydrophobicContact CG2-CD2 4.25Å |
| 609 | A | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L456 V457 F458 I459 L596 L607 | L456-A609 HydrophobicContact CD1-CB 4.33Å; V457-A609 PolarHBondContact O-N 2.92Å; F458-A609 WeakPolarHBondContact CA-O 3.48Å; F458-A609 HydrophobicContact CD1-CB 3.92Å; F458-A609 WeakPolarHBondContact CD1-O 3.27Å; F458-A609 HydrophobicContact CE1-CB 3.59Å; F458-A609 HydrophobicContact CZ-CB 4.11Å; I459-A609 PolarHBondContact N-O 3.24Å; I459-A609 VanDerWaalsContact N-O 3.11Å; L596-A609 HydrophobicContact CD1-CB 4.12Å; L607-A609 HydrophobicContact CD2-CB 4.09Å |
| 610 | L | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.4 | 173.9 | -55.8 | -163.8 | 0 | 0 | 0 | 110.2 | I459 K467 A471 V571 D572 Y573 L574 I608 | I459-L610 HydrophobicContact CB-CD2 3.59Å; I459-L610 HydrophobicContact CD1-CD2 4.11Å; I459-L610 HydrophobicContact CG1-CD2 4.3Å; I459-L610 HydrophobicContact CG2-CD2 4.09Å; I459-L610 WeakPolarHBondContact O-CA 3.17Å; K467-L610 HydrophobicContact CG-CD1 4.32Å; A471-L610 HydrophobicContact CB-CD1 4.28Å; A471-L610 HydrophobicContact CB-CD2 4.1Å; V571-L610 PolarHBondContact O-N 2.89Å; D572-L610 HydrophobicContact CB-CD1 3.77Å; D572-L610 HydrophobicContact CB-CG 4.22Å; Y573-L610 WeakPolarHBondContact CB-O 3.27Å; L574-L610 WeakPolarHBondContact CB-O 3.22Å; L574-L610 PolarHBondContact N-O 3.25Å; I608-L610 HydrophobicContact CG2-CD2 4.25Å |
| 611 | S | 90.8 | Very high | 87.6 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | I459 A460 A461 | I459-S611 PolarHBondContact O-N 3.41Å; A460-S611 VanDerWaalsContact CA-O 3.31Å; A460-S611 WeakPolarHBondContact CA-O 3.26Å; A461-S611 PolarHBondContact N-O 3.46Å |
| 612 | Q | 87.7 | Confident | 87.4 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.4 | 178.1 | -165.6 | -170.4 | 31.8 | 0 | 0 | 110.5 | Y573 | Y573-Q612 HydrophobicContact CD2-CB 4.46Å; Y573-Q612 HydrophobicContact CE2-CB 4.24Å |
| 613 | L | 87.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 149.6 | 176.2 | -61.5 | 174.2 | 0 | 0 | 0 | 112.7 | A460 A461 R462 P625 D629 L630 M645 | A460-L613 HydrophobicContact CB-CD2 3.75Å; A460-L613 HydrophobicContact CB-CG 4.22Å; A461-L613 PolarHBondContact O-N 2.94Å; A461-L613 VanDerWaalsContact O-N 3.09Å; R462-L613 HydrophobicContact CG-CB 4.35Å; R462-L613 PolarHBondContact NH1-O 3.22Å; L613-P625 HydrophobicContact CD1-CB 3.5Å; L613-P625 HydrophobicContact CD1-CG 3.41Å; L613-P625 VanDerWaalsContact CD1-CG 3.41Å; L613-D629 HydrophobicContact CD2-CB 4.04Å; L613-L630 HydrophobicContact CD2-CD2 4.05Å; L613-L630 HydrophobicContact CD2-CG 4.42Å; L613-M645 HydrophobicContact CD2-CE 4.45Å; L613-M645 HydrophobicContact CD2-SD 4.39Å |
| 614 | S | 84.6 | Confident | 88.3 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 153.1 | 172.8 | 83 | 0 | 0 | 0 | 0 | 111.4 | G616 V617 D629 | S614-G616 PolarHBondContact O-N 3.13Å; S614-G616 PolarHBondContact OG-N 3.13Å; S614-V617 WeakPolarHBondContact O-CG1 3.42Å; S614-D629 WeakPolarHBondContact CB-O 3.49Å; S614-D629 PolarHBondContact N-O 3.49Å; S614-D629 PolarHBondContact OG-O 3.04Å |
| 615 | R | 84.1 | Confident | 88.5 | Confident | 200 Ų | 200 | 41.7 Ų | 41.7 | 76% | 0.755 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -67.1 | -13.9 | 176.7 | -65.2 | -174.2 | -178.8 | -170.7 | 0.1 | 112.8 | V617 E618 | R615-V617 PolarHBondContact O-N 3.47Å; R615-E618 PolarHBondContact O-N 3.42Å |
| 616 | G | 83 | Confident | 88.5 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61 | -29.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S614 E618 S619 | S614-G616 PolarHBondContact O-N 3.13Å; S614-G616 PolarHBondContact OG-N 3.13Å; G616-E618 PolarHBondContact O-N 3.39Å; G616-E618 VanDerWaalsContact O-N 3.16Å; G616-S619 PolarHBondContact O-N 3.41Å; G616-S619 VanDerWaalsContact O-N 3.08Å; G616-S619 PolarHBondContact O-OG 2.63Å |
| 617 | V | 85 | Confident | 88.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -54 | -34.7 | 176.3 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | R462 S614 R615 S619 R620 K623 P625 | R462-V617 HydrophobicContact CG-CG1 3.62Å; S614-V617 WeakPolarHBondContact O-CG1 3.42Å; R615-V617 PolarHBondContact O-N 3.47Å; V617-S619 VanDerWaalsContact C-N 3.3Å; V617-S619 PolarHBondContact O-N 3.49Å; V617-R620 PolarHBondContact O-N 2.99Å; V617-K623 VanDerWaalsContact CG2-O 3.23Å; V617-K623 WeakPolarHBondContact CG2-O 3.38Å; V617-P625 HydrophobicContact CG2-CG 4.35Å |
| 618 | E | 85.4 | Confident | 87.7 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -75.5 | -20.3 | -176.4 | -63.4 | 174.1 | 172.2 | 0 | 0 | 113 | R462 R615 G616 Y652 | R462-E618 IonicContact CZ-OE1 2.73Å; R462-E618 IonicContact NE-OE1 3.54Å; R462-E618 PolarHBondContact NE-OE1 3.47Å; R462-E618 VanDerWaalsContact NH2-CD 3.3Å; R462-E618 IonicContact NH2-OE1 2.69Å; R462-E618 PolarHBondContact NH2-OE1 2.76Å; R462-E618 IonicContact NH2-OE2 3.46Å; R462-E618 PolarHBondContact NH2-OE2 2.89Å; R615-E618 PolarHBondContact O-N 3.42Å; G616-E618 PolarHBondContact O-N 3.39Å; G616-E618 VanDerWaalsContact O-N 3.16Å; E618-Y652 HydrophobicContact CG-CE1 4.08Å |
| 619 | S | 82.7 | Confident | 87.2 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -84.3 | -14.4 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | G616 V617 | G616-S619 PolarHBondContact O-N 3.41Å; G616-S619 VanDerWaalsContact O-N 3.08Å; G616-S619 PolarHBondContact O-OG 2.63Å; V617-S619 VanDerWaalsContact C-N 3.3Å; V617-S619 PolarHBondContact O-N 3.49Å |
| 620 | R | 85.5 | Confident | 86.6 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -81.3 | 145.4 | -178.7 | -63.7 | -170.7 | -70.7 | 126.3 | 8.1 | 110.3 | V617 N622 R624 M626 D629 | V617-R620 PolarHBondContact O-N 2.99Å; R620-N622 VanDerWaalsContact C-N 3.26Å; R620-N622 WeakPolarHBondContact CB-O 3.38Å; R620-N622 PolarHBondContact O-N 3.27Å; R620-R624 PolarHBondContact NH2-O 2.99Å; R620-M626 PolarHBondContact NH1-SD 3.2Å; R620-D629 IonicContact CZ-OD1 2.81Å; R620-D629 IonicContact CZ-OD2 3.53Å; R620-D629 IonicContact NE-OD1 3.42Å; R620-D629 IonicContact NH2-OD1 3.02Å; R620-D629 IonicContact NH2-OD2 3.6Å; R620-D629 PolarHBondContact NH2-OD2 3.16Å |
| 621 | P | 81.7 | Confident | 85.3 | Confident | 113 Ų | 113 | 55 Ų | 55 | 73% | 0.734 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -56.6 | -40.6 | 174.2 | -25.8 | 33.8 | 0 | 0 | 0 | 112.8 | P1016 | P621-P1016 HydrophobicContact CG-CG 3.81Š|
| 622 | N | 85.9 | Confident | 83.9 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -95.8 | 110.6 | 167.8 | -175.4 | -0.3 | 0 | 0 | 0 | 108.8 | R620 R624 | R620-N622 VanDerWaalsContact C-N 3.26Å; R620-N622 WeakPolarHBondContact CB-O 3.38Å; R620-N622 PolarHBondContact O-N 3.27Å; N622-R624 VanDerWaalsContact C-N 3.25Å; N622-R624 PolarHBondContact O-N 3.43Å; N622-R624 WeakPolarHBondContact OD1-CB 3.38Å; N622-R624 WeakPolarHBondContact OD1-CG 3.49Å; N622-R624 PolarHBondContact OD1-N 3.33Å; N622-R624 VanDerWaalsContact OD1-N 3.1Å |
| 623 | K | 89.6 | Confident | 82.7 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | trans | -84 | 6.1 | -177.5 | -62.4 | 176.8 | -175.8 | 162.7 | 0 | 113.4 | V617 Y647 Y652 | V617-K623 VanDerWaalsContact CG2-O 3.23Å; V617-K623 WeakPolarHBondContact CG2-O 3.38Å; K623-Y647 HydrophobicContact CB-CE2 4.01Å; K623-Y647 WeakPolarHBondContact O-CE2 3.45Å; K623-Y652 HydrophobicContact CB-CD2 4.03Å; K623-Y652 HydrophobicContact CB-CE2 4.01Å; K623-Y652 HydrophobicContact CB-CG 4.49Å; K623-Y652 HydrophobicContact CD-CD1 3.59Å; K623-Y652 HydrophobicContact CD-CD2 3.86Å; K623-Y652 HydrophobicContact CD-CE1 4.08Å; K623-Y652 HydrophobicContact CD-CE2 4.31Å; K623-Y652 HydrophobicContact CD-CG 3.45Å; K623-Y652 VanDerWaalsContact CD-CG 3.45Å | ||
| 624 | R | 90.8 | Very high | 81.9 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | trans | -67 | 126.9 | 173.1 | -72.7 | -178.4 | 175.6 | 83.7 | -4.5 | 110.5 | R620 N622 Y647 E663 S698 | R620-R624 PolarHBondContact NH2-O 2.99Å; N622-R624 VanDerWaalsContact C-N 3.25Å; N622-R624 PolarHBondContact O-N 3.43Å; N622-R624 WeakPolarHBondContact OD1-CB 3.38Å; N622-R624 WeakPolarHBondContact OD1-CG 3.49Å; N622-R624 PolarHBondContact OD1-N 3.33Å; N622-R624 VanDerWaalsContact OD1-N 3.1Å; R624-Y647 HydrophobicContact CG-CD1 3.82Å; R624-Y647 HydrophobicContact CG-CD2 4.01Å; R624-Y647 HydrophobicContact CG-CE1 3.89Å; R624-Y647 HydrophobicContact CG-CE2 4.05Å; R624-Y647 HydrophobicContact CG-CG 3.89Å; R624-E663 IonicContact CZ-OE1 3.69Å; R624-E663 IonicContact CZ-OE2 2.62Å; R624-E663 IonicContact NE-OE1 3.4Å; R624-E663 PolarHBondContact NE-OE1 3.09Å; R624-E663 IonicContact NE-OE2 3.63Å; R624-E663 PolarHBondContact NE-OE2 2.89Å; R624-E663 IonicContact NH2-OE1 3.78Å; R624-E663 PolarHBondContact NH2-OE1 2.95Å; R624-E663 IonicContact NH2-OE2 2.68Å; R624-S698 PolarHBondContact NH2-O 3.05Å; R624-S698 VanDerWaalsContact NH2-O 3.08Å | ||
| 625 | P | 91.3 | Very high | 81.5 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | trans | -58.7 | 150.9 | 178.5 | -28.3 | 37.3 | 0 | 0 | 0 | 114.1 | L613 V617 D629 M645 | L613-P625 HydrophobicContact CD1-CB 3.5Å; L613-P625 HydrophobicContact CD1-CG 3.41Å; L613-P625 VanDerWaalsContact CD1-CG 3.41Å; V617-P625 HydrophobicContact CG2-CG 4.35Å; P625-D629 WeakPolarHBondContact CA-OD2 3.42Å; P625-M645 HydrophobicContact CB-CB 3.88Å; P625-M645 HydrophobicContact CB-CG 4.21Å; P625-M645 HydrophobicContact CB-SD 3.36Å; P625-M645 WeakPolarHBondContact CB-SD 3.06Å; P625-M645 HydrophobicContact CG-CB 4.39Å | ||
| 626 | M | 89.3 | Confident | 81.4 | Confident | 84 Ų | 84 | 52 Ų | 52 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | trans | -135 | 163.8 | 171.1 | 51.5 | 177.9 | 41.7 | 0 | 0 | 110.7 | R620 S628 D629 M645 | R620-M626 PolarHBondContact NH1-SD 3.2Å; M626-S628 VanDerWaalsContact CG-OG 3.31Å; M626-S628 WeakPolarHBondContact CG-OG 3.14Å; M626-S628 PolarHBondContact O-N 2.72Å; M626-S628 PolarHBondContact SD-OG 3.42Å; M626-D629 VanDerWaalsContact CG-OD2 3.28Å; M626-D629 WeakPolarHBondContact CG-OD2 3.38Å; M626-D629 PolarHBondContact N-OD2 3.3Å; M626-D629 VanDerWaalsContact O-CB 3.28Å; M626-D629 WeakPolarHBondContact O-CB 3.46Å; M626-D629 PolarHBondContact O-N 3.1Å; M626-M645 WeakPolarHBondContact O-CE 3.26Å | ||
| 627 | N | 88.2 | Confident | 81.4 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -50.9 | -36.5 | -178.2 | -66.9 | -8 | 0 | 0 | 0 | 113.4 | D629 L630 S633 E637 T667 | N627-D629 PolarHBondContact O-N 2.95Å; N627-L630 WeakPolarHBondContact O-CB 3.47Å; N627-L630 PolarHBondContact O-N 3.11Å; N627-S633 WeakPolarHBondContact O-CB 3.46Å; N627-E637 HydrophobicContact CB-CG 4.43Å; N627-E637 WeakPolarHBondContact CB-OE1 3.45Å; N627-E637 PolarHBondContact ND2-OE1 3.31Å; N627-T667 PolarHBondContact ND2-O 2.94Å; N627-T667 WeakPolarHBondContact OD1-CB 3.47Å; N627-T667 PolarHBondContact OD1-OG1 3.28Å |
| 628 | S | 84.1 | Confident | 81.4 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -66.6 | -14.9 | 177.2 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | M626 | M626-S628 VanDerWaalsContact CG-OG 3.31Å; M626-S628 WeakPolarHBondContact CG-OG 3.14Å; M626-S628 PolarHBondContact O-N 2.72Å; M626-S628 PolarHBondContact SD-OG 3.42Å |
| 629 | D | 86.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -82.1 | -14.7 | 176.8 | -63.5 | -45.4 | 0 | 0 | 0 | 112.9 | L613 S614 R620 P625 M626 N627 K631 | L613-D629 HydrophobicContact CD2-CB 4.04Å; S614-D629 WeakPolarHBondContact CB-O 3.49Å; S614-D629 PolarHBondContact N-O 3.49Å; S614-D629 PolarHBondContact OG-O 3.04Å; R620-D629 IonicContact CZ-OD1 2.81Å; R620-D629 IonicContact CZ-OD2 3.53Å; R620-D629 IonicContact NE-OD1 3.42Å; R620-D629 IonicContact NH2-OD1 3.02Å; R620-D629 IonicContact NH2-OD2 3.6Å; R620-D629 PolarHBondContact NH2-OD2 3.16Å; P625-D629 WeakPolarHBondContact CA-OD2 3.42Å; M626-D629 VanDerWaalsContact CG-OD2 3.28Å; M626-D629 WeakPolarHBondContact CG-OD2 3.38Å; M626-D629 PolarHBondContact N-OD2 3.3Å; M626-D629 VanDerWaalsContact O-CB 3.28Å; M626-D629 WeakPolarHBondContact O-CB 3.46Å; M626-D629 PolarHBondContact O-N 3.1Å; N627-D629 PolarHBondContact O-N 2.95Å; D629-K631 PolarHBondContact O-N 3.27Å |
| 630 | L | 82 | Confident | 81.8 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 127.5 | 170.9 | -70 | 166.9 | 0 | 0 | 0 | 108.4 | A460 L613 N627 N632 S633 I636 I643 M645 | A460-L630 HydrophobicContact CB-CD2 3.44Å; A460-L630 VanDerWaalsContact CB-CD2 3.44Å; L613-L630 HydrophobicContact CD2-CD2 4.05Å; L613-L630 HydrophobicContact CD2-CG 4.42Å; N627-L630 WeakPolarHBondContact O-CB 3.47Å; N627-L630 PolarHBondContact O-N 3.11Å; L630-N632 PolarHBondContact O-N 2.71Å; L630-N632 VanDerWaalsContact O-N 3.15Å; L630-S633 WeakPolarHBondContact O-CA 3.33Å; L630-S633 WeakPolarHBondContact O-CB 3.33Å; L630-S633 PolarHBondContact O-N 3.43Å; L630-I636 HydrophobicContact CD1-CG2 4.17Å; L630-I643 HydrophobicContact CD1-CD1 3.99Å; L630-I643 HydrophobicContact CD1-CG2 4.24Å; L630-M645 HydrophobicContact CD1-CE 3.99Å; L630-M645 HydrophobicContact CD2-CE 4.23Å; L630-M645 HydrophobicContact CG-CE 3.82Å |
| 631 | K | 64.8 | Low | 82.2 | Confident | 96 Ų | 96 | 47 Ų | 47 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 124.4 | 175.7 | -76.7 | 178.7 | 175.2 | 177.6 | 0 | 108.4 | D629 | D629-K631 PolarHBondContact O-N 3.27Š|
| 632 | N | 62.6 | Low | 82.8 | Confident | 67 Ų | 67 | 42 Ų | 42 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 44 | -175.8 | -48.8 | -30.4 | 0 | 0 | 0 | 112.6 | H585 D586 V589 L630 G634 | H585-N632 PolarHBondContact O-ND2 3.11Å; D586-N632 HydrophobicContact CB-CB 4.44Å; V589-N632 HydrophobicContact CB-CB 4.47Å; V589-N632 HydrophobicContact CG1-CB 4.32Å; L630-N632 PolarHBondContact O-N 2.71Å; L630-N632 VanDerWaalsContact O-N 3.15Å; N632-G634 PolarHBondContact O-N 3.01Å |
| 633 | S | 61.8 | Low | 83.1 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -46.1 | -32.2 | -166.5 | 66.6 | 0 | 0 | 0 | 0 | 116.9 | N627 L630 E635 E637 | N627-S633 WeakPolarHBondContact O-CB 3.46Å; L630-S633 WeakPolarHBondContact O-CA 3.33Å; L630-S633 WeakPolarHBondContact O-CB 3.33Å; L630-S633 PolarHBondContact O-N 3.43Å; S633-E635 PolarHBondContact O-N 3.28Å; S633-E637 WeakPolarHBondContact O-CB 3.47Å; S633-E637 PolarHBondContact O-N 3.25Å |
| 634 | G | 71.6 | Confident | 83.4 | Confident | 53 Ų | 53 | 35.4 Ų | 35.4 | 55% | 0.546 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -43.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N632 A638 | N632-G634 PolarHBondContact O-N 3.01Å; G634-A638 WeakPolarHBondContact O-CB 3.28Å; G634-A638 PolarHBondContact O-N 2.66Å |
| 635 | E | 75.5 | Confident | 83.6 | Confident | 61 Ų | 61 | 33 Ų | 33 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -85.6 | -41.8 | -173.7 | -64.6 | -175.2 | 130 | 0 | 0 | 112 | G590 S633 E637 A638 D639 | G590-E635 WeakPolarHBondContact CA-OE2 3.29Å; G590-E635 PolarHBondContact N-OE2 2.87Å; S633-E635 PolarHBondContact O-N 3.28Å; E635-E637 VanDerWaalsContact C-N 3.33Å; E635-E637 PolarHBondContact O-N 3.29Å; E635-A638 PolarHBondContact O-N 3.42Å; E635-A638 VanDerWaalsContact O-N 3.14Å; E635-D639 PolarHBondContact O-N 3.44Å; E635-D639 VanDerWaalsContact O-N 3.14Å |
| 636 | I | 81.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 173.5 | -61.8 | 179.5 | 0 | 0 | 0 | 110.1 | F458 L574 V589 L630 A638 D639 A640 | F458-I636 HydrophobicContact CD1-CG2 4.06Å; F458-I636 HydrophobicContact CD2-CG2 3.89Å; F458-I636 HydrophobicContact CE1-CG2 3.89Å; F458-I636 HydrophobicContact CE2-CG2 3.68Å; F458-I636 HydrophobicContact CG-CG2 4.05Å; F458-I636 HydrophobicContact CZ-CG2 3.69Å; L574-I636 HydrophobicContact CD2-CD1 4.49Å; V589-I636 HydrophobicContact CG1-CD1 3.6Å; V589-I636 HydrophobicContact CG1-CG1 3.67Å; L630-I636 HydrophobicContact CD1-CG2 4.17Å; I636-A638 VanDerWaalsContact C-N 3.27Å; I636-A638 PolarHBondContact O-N 3.05Å; I636-D639 PolarHBondContact O-N 2.96Å; I636-A640 VanDerWaalsContact O-CB 3.3Å; I636-A640 WeakPolarHBondContact O-CB 3.16Å; I636-A640 PolarHBondContact O-N 2.94Å; I636-A640 VanDerWaalsContact O-N 3.08Å |
| 637 | E | 84.6 | Confident | 84 | Confident | 65 Ų | 65 | 28.9 Ų | 28.9 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.1 | -37 | 178.9 | -175.6 | 175.2 | -171.3 | 0 | 0 | 110.7 | N627 S633 E635 I643 K668 | N627-E637 HydrophobicContact CB-CG 4.43Å; N627-E637 WeakPolarHBondContact CB-OE1 3.45Å; N627-E637 PolarHBondContact ND2-OE1 3.31Å; S633-E637 WeakPolarHBondContact O-CB 3.47Å; S633-E637 PolarHBondContact O-N 3.25Å; E635-E637 VanDerWaalsContact C-N 3.33Å; E635-E637 PolarHBondContact O-N 3.29Å; E637-I643 HydrophobicContact CG-CD1 4.38Å; E637-K668 HydrophobicContact CG-CD 4.35Å; E637-K668 PolarHBondContact O-NZ 2.75Å |
| 638 | A | 84.5 | Confident | 84.2 | Confident | 56 Ų | 56 | 29.1 Ų | 29.1 | 46% | 0.463 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G634 E635 I636 R670 | G634-A638 WeakPolarHBondContact O-CB 3.28Å; G634-A638 PolarHBondContact O-N 2.66Å; E635-A638 PolarHBondContact O-N 3.42Å; E635-A638 VanDerWaalsContact O-N 3.14Å; I636-A638 VanDerWaalsContact C-N 3.27Å; I636-A638 PolarHBondContact O-N 3.05Å; A638-R670 PolarHBondContact O-NH2 3.49Å |
| 639 | D | 86.3 | Confident | 84.5 | Confident | 29 Ų | 29 | 26.8 Ų | 26.8 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -81.1 | -28.8 | -171.9 | -63 | -33 | 0 | 0 | 0 | 113.9 | L456 S593 K594 E635 I636 | L456-D639 HydrophobicContact CD2-CB 4.48Å; S593-D639 WeakPolarHBondContact CB-OD2 3.13Å; S593-D639 VanDerWaalsContact OG-CB 3.27Å; S593-D639 WeakPolarHBondContact OG-CB 3.23Å; S593-D639 PolarHBondContact OG-OD2 3.45Å; K594-D639 WeakPolarHBondContact CG-OD2 3.42Å; K594-D639 PolarHBondContact N-OD2 3.42Å; E635-D639 PolarHBondContact O-N 3.44Å; E635-D639 VanDerWaalsContact O-N 3.14Å; I636-D639 PolarHBondContact O-N 2.96Å |
| 640 | A | 90.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -63.5 | 140.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F458 I636 I643 K668 R670 | F458-A640 HydrophobicContact CD2-CB 3.55Å; F458-A640 HydrophobicContact CE2-CB 4.03Å; I636-A640 VanDerWaalsContact O-CB 3.3Å; I636-A640 WeakPolarHBondContact O-CB 3.16Å; I636-A640 PolarHBondContact O-N 2.94Å; I636-A640 VanDerWaalsContact O-N 3.08Å; A640-I643 HydrophobicContact CB-CD1 3.87Å; A640-I643 HydrophobicContact CB-CG1 3.61Å; A640-K668 WeakPolarHBondContact O-CE 3.36Å; A640-K668 PolarHBondContact O-NZ 3.04Å; A640-R670 PolarHBondContact O-NE 2.99Å | ||
| 641 | D | 92.7 | Very high | 85 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -93.5 | -38.2 | 171 | -51.2 | -77.9 | 0 | 0 | 0 | 111.3 | D455 L456 K597 Q669 R670 | D455-D641 WeakPolarHBondContact CA-OD2 3.38Å; D455-D641 HydrophobicContact CB-CB 4.32Å; L456-D641 PolarHBondContact N-OD2 3.23Å; L456-D641 PolarHBondContact O-N 2.84Å; K597-D641 WeakPolarHBondContact CE-OD2 3.2Å; K597-D641 IonicContact NZ-OD1 3.36Å; K597-D641 PolarHBondContact NZ-OD1 2.92Å; K597-D641 IonicContact NZ-OD2 3.75Å; K597-D641 PolarHBondContact NZ-OD2 3.31Å; D641-Q669 WeakPolarHBondContact O-CA 3.3Å; D641-R670 PolarHBondContact O-N 3.26Å; D641-R670 WeakPolarHBondContact OD1-CD 3.3Å; D641-R670 IonicContact OD1-CZ 2.71Å; D641-R670 IonicContact OD1-NE 2.98Å; D641-R670 IonicContact OD1-NH1 2.81Å; D641-R670 PolarHBondContact OD1-NH1 3.06Å |
| 642 | I | 93.7 | Very high | 86.1 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.1 | 176.4 | -52.7 | 179.9 | 0 | 0 | 0 | 109.5 | T448 V457 F458 L644 K668 | T448-I642 HydrophobicContact CG2-CD1 4.46Å; V457-I642 WeakPolarHBondContact CA-O 3.02Å; V457-I642 HydrophobicContact CB-CB 4.48Å; V457-I642 HydrophobicContact CG1-CB 4.12Å; V457-I642 HydrophobicContact CG1-CG2 4.27Å; V457-I642 HydrophobicContact CG2-CB 4.14Å; V457-I642 HydrophobicContact CG2-CD1 4.26Å; V457-I642 HydrophobicContact CG2-CG1 4.44Å; F458-I642 PolarHBondContact N-O 2.99Å; I642-L644 HydrophobicContact CG2-CD2 3.83Å; I642-L644 HydrophobicContact CG2-CG 4.15Å; I642-K668 CarbonylContact C-O 3.58Å; I642-K668 WeakPolarHBondContact CA-O 3.44Å |
| 643 | I | 93.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 112.7 | 173.7 | -55.8 | 174.7 | 0 | 0 | 0 | 109.5 | F458 L630 E637 A640 M645 T667 K668 | F458-I643 HydrophobicContact CB-CG1 4.34Å; F458-I643 HydrophobicContact CB-CG2 4.44Å; L630-I643 HydrophobicContact CD1-CD1 3.99Å; L630-I643 HydrophobicContact CD1-CG2 4.24Å; E637-I643 HydrophobicContact CG-CD1 4.38Å; A640-I643 HydrophobicContact CB-CD1 3.87Å; A640-I643 HydrophobicContact CB-CG1 3.61Å; I643-M645 HydrophobicContact CG2-CE 3.72Å; I643-M645 HydrophobicContact CG2-CG 4.2Å; I643-T667 WeakPolarHBondContact CG2-OG1 3.04Å; I643-T667 PolarHBondContact O-N 2.89Å; I643-T667 PolarHBondContact O-OG1 3.48Å; I643-K668 HydrophobicContact CB-CB 3.82Å; I643-K668 HydrophobicContact CD1-CB 3.74Å; I643-K668 HydrophobicContact CD1-CD 3.74Å; I643-K668 HydrophobicContact CD1-CG 4.36Å; I643-K668 HydrophobicContact CG1-CB 3.75Å; I643-K668 HydrophobicContact CG1-CD 4.19Å; I643-K668 PolarHBondContact N-O 3.22Å; I643-K668 PolarHBondContact O-N 2.77Å |
| 644 | L | 95 | Very high | 88.3 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.9 | 175.6 | -53.6 | -177.8 | 0 | 0 | 0 | 109.6 | L444 V457 F458 I459 A460 I642 I664 N665 I666 | L444-L644 HydrophobicContact CD1-CD1 4.44Å; L444-L644 HydrophobicContact CD1-CD2 4.03Å; L444-L644 HydrophobicContact CD2-CD1 4.06Å; V457-L644 HydrophobicContact CG1-CD1 4.4Å; F458-L644 PolarHBondContact O-N 3.45Å; I459-L644 CarbonylContact C-O 3.54Å; I459-L644 WeakPolarHBondContact CA-O 3.42Å; I459-L644 HydrophobicContact CG1-CB 4.29Å; I459-L644 HydrophobicContact CG1-CD1 4.21Å; A460-L644 PolarHBondContact N-O 3.26Å; I642-L644 HydrophobicContact CG2-CD2 3.83Å; I642-L644 HydrophobicContact CG2-CG 4.15Å; L644-I664 HydrophobicContact CB-CG2 4.24Å; L644-I664 HydrophobicContact CD1-CG2 4.49Å; L644-I664 HydrophobicContact CD2-CG2 4.39Å; L644-N665 CarbonylContact C-O 3.54Å; L644-N665 WeakPolarHBondContact CA-O 3.39Å; L644-I666 HydrophobicContact CD2-CB 4.36Å; L644-I666 HydrophobicContact CD2-CG1 3.79Å; L644-I666 HydrophobicContact CD2-CG2 4.42Å |
| 645 | M | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.7 | 177.9 | -62.1 | -162.7 | 178.9 | 0 | 0 | 111.8 | A460 L613 P625 M626 L630 I643 N665 T667 | A460-M645 HydrophobicContact CB-CG 4.41Å; A460-M645 VanDerWaalsContact O-CA 3.3Å; A460-M645 WeakPolarHBondContact O-CA 3.13Å; L613-M645 HydrophobicContact CD2-CE 4.45Å; L613-M645 HydrophobicContact CD2-SD 4.39Å; P625-M645 HydrophobicContact CB-CB 3.88Å; P625-M645 HydrophobicContact CB-CG 4.21Å; P625-M645 HydrophobicContact CB-SD 3.36Å; P625-M645 WeakPolarHBondContact CB-SD 3.06Å; P625-M645 HydrophobicContact CG-CB 4.39Å; M626-M645 WeakPolarHBondContact O-CE 3.26Å; L630-M645 HydrophobicContact CD1-CE 3.99Å; L630-M645 HydrophobicContact CD2-CE 4.23Å; L630-M645 HydrophobicContact CG-CE 3.82Å; I643-M645 HydrophobicContact CG2-CE 3.72Å; I643-M645 HydrophobicContact CG2-CG 4.2Å; M645-N665 HydrophobicContact CB-CB 4.35Å; M645-N665 PolarHBondContact N-O 3.22Å; M645-N665 WeakPolarHBondContact O-CB 3.43Å; M645-N665 PolarHBondContact O-N 2.91Å; M645-T667 HydrophobicContact CB-CG2 4.09Å; M645-T667 HydrophobicContact CE-CG2 4.49Å; M645-T667 HydrophobicContact CG-CG2 3.81Å; M645-T667 HydrophobicContact SD-CG2 3.83Å |
| 646 | L | 94.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.9 | 180 | -71.9 | 175.8 | 0 | 0 | 0 | 112 | I459 A460 A461 M465 G466 L470 E663 I664 F686 | I459-L646 HydrophobicContact CG2-CD1 4.39Å; A460-L646 PolarHBondContact O-N 2.89Å; A460-L646 VanDerWaalsContact O-N 3.07Å; A461-L646 HydrophobicContact CB-CB 3.81Å; A461-L646 HydrophobicContact CB-CD1 4.33Å; M465-L646 HydrophobicContact CB-CB 4.49Å; G466-L646 WeakPolarHBondContact O-CD1 3.22Å; L470-L646 HydrophobicContact CB-CD1 4.03Å; L470-L646 HydrophobicContact CD2-CD1 4.12Å; L470-L646 HydrophobicContact CD2-CD2 3.78Å; L470-L646 HydrophobicContact CD2-CG 4.08Å; L646-E663 WeakPolarHBondContact CA-O 3.16Å; L646-I664 HydrophobicContact CD2-CB 4.46Å; L646-I664 HydrophobicContact CD2-CG1 3.78Å; L646-F686 HydrophobicContact CD1-CZ 4.2Å; L646-F686 HydrophobicContact CD2-CE1 4.32Å; L646-F686 HydrophobicContact CD2-CZ 4.05Å |
| 647 | Y | 94.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.2 | 173.1 | 179.7 | -101.2 | 0 | 0 | 0 | 111.4 | K623 R624 D649 Y652 E663 | K623-Y647 HydrophobicContact CB-CE2 4.01Å; K623-Y647 WeakPolarHBondContact O-CE2 3.45Å; R624-Y647 HydrophobicContact CG-CD1 3.82Å; R624-Y647 HydrophobicContact CG-CD2 4.01Å; R624-Y647 HydrophobicContact CG-CE1 3.89Å; R624-Y647 HydrophobicContact CG-CE2 4.05Å; R624-Y647 HydrophobicContact CG-CG 3.89Å; Y647-D649 HydrophobicContact CE1-CB 3.79Å; Y647-D649 PolarHBondContact OH-OD1 3.03Å; Y647-Y652 HydrophobicContact CD2-CE2 4.18Å; Y647-Y652 AromaticContact CE2-CD2 3.71Å; Y647-Y652 HydrophobicContact CE2-CD2 3.71Å; Y647-Y652 AromaticContact CE2-CE2 3.7Å; Y647-Y652 HydrophobicContact CE2-CE2 3.7Å; Y647-E663 HydrophobicContact CD1-CG 4.35Å; Y647-E663 PolarHBondContact N-O 2.82Å; Y647-E663 PolarHBondContact O-N 3.08Å |
| 648 | R | 93 | Very high | 89.7 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | trans | -130.3 | 113.7 | 173.3 | -77.3 | 170.6 | 58.3 | -152.2 | -1.7 | 108.4 | S464 M465 E650 V651 A662 | S464-R648 PolarHBondContact O-NH1 3.31Å; S464-R648 VanDerWaalsContact O-NH1 3.15Å; M465-R648 WeakPolarHBondContact O-CD 3.4Å; M465-R648 HydrophobicContact SD-CB 3.98Å; R648-E650 VanDerWaalsContact C-N 3.3Å; R648-E650 HydrophobicContact CB-CG 4.35Å; R648-E650 IonicContact CZ-OE1 3.81Å; R648-E650 VanDerWaalsContact CZ-OE1 3.26Å; R648-E650 IonicContact NE-OE1 3.67Å; R648-E650 PolarHBondContact NE-OE1 2.95Å; R648-E650 IonicContact NH2-OE1 3.6Å; R648-E650 PolarHBondContact NH2-OE1 2.87Å; R648-E650 PolarHBondContact O-N 3.14Å; R648-V651 HydrophobicContact CB-CG2 3.88Å; R648-V651 PolarHBondContact O-N 3.47Å; R648-A662 HydrophobicContact CG-CB 3.64Å | ||
| 649 | D | 90.2 | Very high | 89.8 | Confident | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -66.7 | -35.3 | -175.2 | -161.7 | 58.4 | 0 | 0 | 0 | 111.9 | Y647 V651 Y652 N653 T656 | Y647-D649 HydrophobicContact CE1-CB 3.79Å; Y647-D649 PolarHBondContact OH-OD1 3.03Å; D649-V651 PolarHBondContact O-N 3.06Å; D649-V651 VanDerWaalsContact O-N 3.1Å; D649-Y652 PolarHBondContact O-N 3.2Å; D649-N653 PolarHBondContact O-N 2.86Å; D649-N653 PolarHBondContact OD1-ND2 3.47Å; D649-N653 PolarHBondContact OD2-ND2 3.44Å; D649-T656 HydrophobicContact CB-CG2 4.15Å; D649-T656 WeakPolarHBondContact OD2-CB 3.29Å; D649-T656 PolarHBondContact OD2-OG1 3.49Å |
| 650 | E | 89.6 | Confident | 90 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -58.9 | -24.6 | -179.9 | 65.4 | -176.7 | -175.9 | 0 | 0 | 114.4 | R648 Y652 N653 T656 R659 G660 | R648-E650 VanDerWaalsContact C-N 3.3Å; R648-E650 HydrophobicContact CB-CG 4.35Å; R648-E650 IonicContact CZ-OE1 3.81Å; R648-E650 VanDerWaalsContact CZ-OE1 3.26Å; R648-E650 IonicContact NE-OE1 3.67Å; R648-E650 PolarHBondContact NE-OE1 2.95Å; R648-E650 IonicContact NH2-OE1 3.6Å; R648-E650 PolarHBondContact NH2-OE1 2.87Å; R648-E650 PolarHBondContact O-N 3.14Å; E650-Y652 VanDerWaalsContact C-N 3.26Å; E650-Y652 PolarHBondContact O-N 2.86Å; E650-N653 WeakPolarHBondContact CA-O 3.27Å; E650-T656 HydrophobicContact CB-CG2 4.02Å; E650-R659 HydrophobicContact CB-CG 4.41Å; E650-R659 WeakPolarHBondContact OE2-CG 3.48Å; E650-G660 PolarHBondContact OE2-N 2.8Å |
| 651 | V | 89.7 | Confident | 90.1 | Very high | 66 Ų | 66 | 45 Ų | 45 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -70.4 | -28.6 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | M465 R648 D649 | M465-V651 HydrophobicContact CE-CB 3.85Å; M465-V651 HydrophobicContact CE-CG1 3.67Å; M465-V651 HydrophobicContact CE-CG2 4.2Å; M465-V651 HydrophobicContact SD-CB 4.26Å; M465-V651 HydrophobicContact SD-CG1 4.42Å; M465-V651 HydrophobicContact SD-CG2 3.94Å; R648-V651 HydrophobicContact CB-CG2 3.88Å; R648-V651 PolarHBondContact O-N 3.47Å; D649-V651 PolarHBondContact O-N 3.06Å; D649-V651 VanDerWaalsContact O-N 3.1Å |
| 652 | Y | 88 | Confident | 90.2 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -30.2 | -178.9 | -62 | -57.6 | 0 | 0 | 0 | 113.1 | M465 E618 K623 Y647 D649 E650 | M465-Y652 HydrophobicContact CE-CD2 4.24Å; M465-Y652 HydrophobicContact CE-CE1 4.22Å; M465-Y652 HydrophobicContact CE-CE2 3.33Å; M465-Y652 WeakPolarHBondContact CE-OH 3.19Å; E618-Y652 HydrophobicContact CG-CE1 4.08Å; K623-Y652 HydrophobicContact CB-CD2 4.03Å; K623-Y652 HydrophobicContact CB-CE2 4.01Å; K623-Y652 HydrophobicContact CB-CG 4.49Å; K623-Y652 HydrophobicContact CD-CD1 3.59Å; K623-Y652 HydrophobicContact CD-CD2 3.86Å; K623-Y652 HydrophobicContact CD-CE1 4.08Å; K623-Y652 HydrophobicContact CD-CE2 4.31Å; K623-Y652 HydrophobicContact CD-CG 3.45Å; K623-Y652 VanDerWaalsContact CD-CG 3.45Å; Y647-Y652 HydrophobicContact CD2-CE2 4.18Å; Y647-Y652 AromaticContact CE2-CD2 3.71Å; Y647-Y652 HydrophobicContact CE2-CD2 3.71Å; Y647-Y652 AromaticContact CE2-CE2 3.7Å; Y647-Y652 HydrophobicContact CE2-CE2 3.7Å; D649-Y652 PolarHBondContact O-N 3.2Å; E650-Y652 VanDerWaalsContact C-N 3.26Å; E650-Y652 PolarHBondContact O-N 2.86Å |
| 653 | N | 86.4 | Confident | 90.3 | Very high | 72 Ų | 72 | 44.6 Ų | 44.6 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -132.5 | 88.1 | -175.5 | -57 | -39.4 | 0 | 0 | 0 | 108.9 | D649 E650 D655 T656 | D649-N653 PolarHBondContact O-N 2.86Å; D649-N653 PolarHBondContact OD1-ND2 3.47Å; D649-N653 PolarHBondContact OD2-ND2 3.44Å; E650-N653 WeakPolarHBondContact CA-O 3.27Å; N653-D655 PolarHBondContact O-N 3.32Å; N653-D655 VanDerWaalsContact O-N 3.13Å; N653-T656 VanDerWaalsContact O-CB 3.3Å; N653-T656 WeakPolarHBondContact O-CB 3.29Å; N653-T656 WeakPolarHBondContact O-CG2 3.42Å; N653-T656 PolarHBondContact O-N 2.87Å; N653-T656 VanDerWaalsContact O-N 3.08Å | ||
| 654 | P | 84 | Confident | 90.3 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 58% | 0.584 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.5 | -175.5 | -28 | 36.2 | 0 | 0 | 0 | 115 | T656 | P654-T656 VanDerWaalsContact C-N 3.34Š|
| 655 | D | 84.2 | Confident | 90.3 | Very high | 165 Ų | 165 | 45.1 Ų | 45.1 | 88% | 0.882 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 14.4 | -178.6 | -56.5 | -46.8 | 0 | 0 | 0 | 113.6 | N653 | N653-D655 PolarHBondContact O-N 3.32Å; N653-D655 VanDerWaalsContact O-N 3.13Å |
| 656 | T | 86.5 | Confident | 90.3 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 17% | 0.172 | 23% | 0.229 | C | C | . | . | trans | -64.4 | 144.4 | 179.9 | -171.5 | 0 | 0 | 0 | 0 | 112.5 | D649 E650 N653 P654 A658 R659 | D649-T656 HydrophobicContact CB-CG2 4.15Å; D649-T656 WeakPolarHBondContact OD2-CB 3.29Å; D649-T656 PolarHBondContact OD2-OG1 3.49Å; E650-T656 HydrophobicContact CB-CG2 4.02Å; N653-T656 VanDerWaalsContact O-CB 3.3Å; N653-T656 WeakPolarHBondContact O-CB 3.29Å; N653-T656 WeakPolarHBondContact O-CG2 3.42Å; N653-T656 PolarHBondContact O-N 2.87Å; N653-T656 VanDerWaalsContact O-N 3.08Å; P654-T656 VanDerWaalsContact C-N 3.34Å; T656-A658 HydrophobicContact CG2-CB 4.42Å; T656-A658 PolarHBondContact O-N 3.26Å; T656-A658 PolarHBondContact OG1-N 2.92Å; T656-R659 HydrophobicContact CG2-CB 4.42Å; T656-R659 PolarHBondContact O-N 2.7Å | ||
| 657 | Q | 85.7 | Confident | 90.1 | Very high | 140 Ų | 140 | 46.6 Ų | 46.6 | 65% | 0.654 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.3 | 172.2 | -65.7 | -174.8 | -1.3 | 0 | 0 | 111.9 | R659 L697 | Q657-R659 PolarHBondContact O-N 3.22Å; Q657-L697 HydrophobicContact CB-CD2 4.23Å |
| 658 | A | 85.2 | Confident | 90 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 23.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T656 G660 I661 | T656-A658 HydrophobicContact CG2-CB 4.42Å; T656-A658 PolarHBondContact O-N 3.26Å; T656-A658 PolarHBondContact OG1-N 2.92Å; A658-G660 PolarHBondContact O-N 3.28Å; A658-I661 WeakPolarHBondContact O-CB 3.49Å; A658-I661 PolarHBondContact O-N 3.05Å |
| 659 | R | 88.1 | Confident | 89.9 | Confident | 190 Ų | 190 | 47.4 Ų | 47.4 | 72% | 0.717 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 132.8 | -178.5 | -171.9 | 177.5 | 177 | -176.1 | -0.5 | 110.5 | E650 T656 Q657 I661 | E650-R659 HydrophobicContact CB-CG 4.41Å; E650-R659 WeakPolarHBondContact OE2-CG 3.48Å; T656-R659 HydrophobicContact CG2-CB 4.42Å; T656-R659 PolarHBondContact O-N 2.7Å; Q657-R659 PolarHBondContact O-N 3.22Å; R659-I661 VanDerWaalsContact C-N 3.29Å |
| 660 | G | 90.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 9.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E650 A658 R680 F681 | E650-G660 PolarHBondContact OE2-N 2.8Å; A658-G660 PolarHBondContact O-N 3.28Å; G660-R680 CarbonylContact O-C 3.54Å; G660-R680 WeakPolarHBondContact O-CA 3.36Å; G660-F681 PolarHBondContact O-N 3.44Å |
| 661 | I | 93 | Very high | 88.9 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.3 | 175.4 | -60.9 | 169.1 | 0 | 0 | 0 | 109.2 | A658 R659 Y678 A694 L697 | A658-I661 WeakPolarHBondContact O-CB 3.49Å; A658-I661 PolarHBondContact O-N 3.05Å; R659-I661 VanDerWaalsContact C-N 3.29Å; I661-Y678 HydrophobicContact CG2-CD1 3.85Å; I661-A694 HydrophobicContact CD1-CB 3.98Å; I661-A694 HydrophobicContact CG2-CB 4.06Å; I661-L697 HydrophobicContact CD1-CB 3.98Å; I661-L697 HydrophobicContact CD1-CD1 3.73Å |
| 662 | A | 94.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R648 Y678 R679 F681 F686 | R648-A662 HydrophobicContact CG-CB 3.64Å; A662-Y678 WeakPolarHBondContact O-CA 3.12Å; A662-R679 PolarHBondContact N-O 2.81Å; A662-R679 PolarHBondContact O-N 3.19Å; A662-F681 HydrophobicContact CB-CB 4.11Å; A662-F686 HydrophobicContact CB-CD1 4.24Å; A662-F686 HydrophobicContact CB-CE1 3.52Å; A662-F686 HydrophobicContact CB-CZ 4.44Å |
| 663 | E | 94.5 | Very high | 88 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.6 | 175.6 | -61 | 178.7 | -169.9 | 0 | 0 | 109.5 | R624 L646 Y647 T676 Y678 | R624-E663 IonicContact CZ-OE1 3.69Å; R624-E663 IonicContact CZ-OE2 2.62Å; R624-E663 IonicContact NE-OE1 3.4Å; R624-E663 PolarHBondContact NE-OE1 3.09Å; R624-E663 IonicContact NE-OE2 3.63Å; R624-E663 PolarHBondContact NE-OE2 2.89Å; R624-E663 IonicContact NH2-OE1 3.78Å; R624-E663 PolarHBondContact NH2-OE1 2.95Å; R624-E663 IonicContact NH2-OE2 2.68Å; L646-E663 WeakPolarHBondContact CA-O 3.16Å; Y647-E663 HydrophobicContact CD1-CG 4.35Å; Y647-E663 PolarHBondContact N-O 2.82Å; Y647-E663 PolarHBondContact O-N 3.08Å; E663-T676 HydrophobicContact CB-CG2 3.87Å; E663-T676 HydrophobicContact CG-CG2 4.13Å; E663-Y678 HydrophobicContact CG-CD1 3.99Å; E663-Y678 HydrophobicContact CG-CE1 3.73Å |
| 664 | I | 95.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 102.8 | 166.5 | -50.8 | 178.9 | 0 | 0 | 0 | 106.9 | L470 L644 L646 T676 I677 R679 | L470-I664 HydrophobicContact CD1-CD1 3.74Å; L470-I664 HydrophobicContact CD2-CD1 4.22Å; L470-I664 HydrophobicContact CD2-CG2 4.41Å; L644-I664 HydrophobicContact CB-CG2 4.24Å; L644-I664 HydrophobicContact CD1-CG2 4.49Å; L644-I664 HydrophobicContact CD2-CG2 4.39Å; L646-I664 HydrophobicContact CD2-CB 4.46Å; L646-I664 HydrophobicContact CD2-CG1 3.78Å; I664-T676 WeakPolarHBondContact O-CA 3.31Å; I664-I677 HydrophobicContact CB-CB 4.34Å; I664-I677 PolarHBondContact N-O 3.19Å; I664-I677 PolarHBondContact O-N 3.01Å; I664-R679 HydrophobicContact CD1-CG 3.72Å; I664-R679 HydrophobicContact CG1-CG 4.4Å |
| 665 | N | 93.5 | Very high | 88.5 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115 | -177.5 | -65 | -57.1 | 0 | 0 | 0 | 110.5 | L644 M645 T667 T676 | L644-N665 CarbonylContact C-O 3.54Å; L644-N665 WeakPolarHBondContact CA-O 3.39Å; M645-N665 HydrophobicContact CB-CB 4.35Å; M645-N665 PolarHBondContact N-O 3.22Å; M645-N665 WeakPolarHBondContact O-CB 3.43Å; M645-N665 PolarHBondContact O-N 2.91Å; N665-T667 HydrophobicContact CB-CG2 4.13Å; N665-T667 PolarHBondContact O-N 2.86Å; N665-T667 VanDerWaalsContact O-N 3.16Å; N665-T676 WeakPolarHBondContact OD1-CB 3.42Å; N665-T676 WeakPolarHBondContact OD1-CG2 3.28Å; N665-T676 PolarHBondContact OD1-OG1 3.43Å |
| 666 | I | 94.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 96.1 | 170.8 | -49.7 | 175.9 | 0 | 0 | 0 | 107.3 | L444 K447 T448 L644 Q669 L674 G675 I677 | L444-I666 HydrophobicContact CD1-CD1 3.95Å; L444-I666 HydrophobicContact CD1-CG1 4.26Å; K447-I666 HydrophobicContact CB-CD1 3.76Å; K447-I666 HydrophobicContact CD-CD1 3.85Å; K447-I666 HydrophobicContact CG-CD1 4.48Å; T448-I666 HydrophobicContact CG2-CD1 4.13Å; L644-I666 HydrophobicContact CD2-CB 4.36Å; L644-I666 HydrophobicContact CD2-CG1 3.79Å; L644-I666 HydrophobicContact CD2-CG2 4.42Å; I666-Q669 HydrophobicContact CG2-CB 3.93Å; I666-L674 HydrophobicContact CG2-CD2 4.47Å; I666-G675 WeakPolarHBondContact CB-O 3.43Å; I666-G675 PolarHBondContact N-O 3.22Å; I666-I677 HydrophobicContact CD1-CD1 3.96Å; I666-I677 HydrophobicContact CG1-CD1 4.39Å |
| 667 | T | 91.7 | Very high | 89.2 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -19.4 | -174.7 | 54.8 | 0 | 0 | 0 | 0 | 113 | N627 I643 M645 N665 | N627-T667 PolarHBondContact ND2-O 2.94Å; N627-T667 WeakPolarHBondContact OD1-CB 3.47Å; N627-T667 PolarHBondContact OD1-OG1 3.28Å; I643-T667 WeakPolarHBondContact CG2-OG1 3.04Å; I643-T667 PolarHBondContact O-N 2.89Å; I643-T667 PolarHBondContact O-OG1 3.48Å; M645-T667 HydrophobicContact CB-CG2 4.09Å; M645-T667 HydrophobicContact CE-CG2 4.49Å; M645-T667 HydrophobicContact CG-CG2 3.81Å; M645-T667 HydrophobicContact SD-CG2 3.83Å; N665-T667 HydrophobicContact CB-CG2 4.13Å; N665-T667 PolarHBondContact O-N 2.86Å; N665-T667 VanDerWaalsContact O-N 3.16Å |
| 668 | K | 91.3 | Very high | 89.7 | Confident | 39 Ų | 39 | 42 Ų | 42 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 138.1 | 169.6 | -169.8 | -175.2 | -179.2 | -166.5 | 0 | 109.5 | E637 A640 I642 I643 | E637-K668 HydrophobicContact CG-CD 4.35Å; E637-K668 PolarHBondContact O-NZ 2.75Å; A640-K668 WeakPolarHBondContact O-CE 3.36Å; A640-K668 PolarHBondContact O-NZ 3.04Å; I642-K668 CarbonylContact C-O 3.58Å; I642-K668 WeakPolarHBondContact CA-O 3.44Å; I643-K668 HydrophobicContact CB-CB 3.82Å; I643-K668 HydrophobicContact CD1-CB 3.74Å; I643-K668 HydrophobicContact CD1-CD 3.74Å; I643-K668 HydrophobicContact CD1-CG 4.36Å; I643-K668 HydrophobicContact CG1-CB 3.75Å; I643-K668 HydrophobicContact CG1-CD 4.19Å; I643-K668 PolarHBondContact N-O 3.22Å; I643-K668 PolarHBondContact O-N 2.77Å |
| 669 | Q | 90.7 | Very high | 90.1 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 117.6 | 174.9 | 177.1 | 86.9 | 3 | 0 | 0 | 106.4 | T448 D641 I666 L674 | T448-Q669 VanDerWaalsContact CA-NE2 3.27Å; T448-Q669 PolarHBondContact O-NE2 3.46Å; D641-Q669 WeakPolarHBondContact O-CA 3.3Å; I666-Q669 HydrophobicContact CG2-CB 3.93Å; Q669-L674 HydrophobicContact CB-CD2 4.19Å |
| 670 | R | 82.7 | Confident | 90.4 | Very high | 125 Ų | 125 | 39.5 Ų | 39.5 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -70.8 | -36.4 | 178.8 | -75.6 | -176.8 | -179.5 | -173.8 | -10 | 112.9 | A638 A640 D641 | A638-R670 PolarHBondContact O-NH2 3.49Å; A640-R670 PolarHBondContact O-NE 2.99Å; D641-R670 PolarHBondContact O-N 3.26Å; D641-R670 WeakPolarHBondContact OD1-CD 3.3Å; D641-R670 IonicContact OD1-CZ 2.71Å; D641-R670 IonicContact OD1-NE 2.98Å; D641-R670 IonicContact OD1-NH1 2.81Å; D641-R670 PolarHBondContact OD1-NH1 3.06Å |
| 671 | N | 76.4 | Confident | 90.5 | Very high | 108 Ų | 108 | 40 Ų | 40 | 58% | 0.578 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -109.7 | 17.7 | -168.2 | -61.5 | -23.1 | 0 | 0 | 0 | 114 | ||
| 672 | G | 77.2 | Confident | 90.3 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -171 | -173.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 673 | S | 82.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 48 Ų | 48 | 48% | 0.483 | 25% | 0.245 | S | C | . | . | trans | -79.4 | 144.3 | -177.6 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 674 | L | 90.8 | Very high | 89.5 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 56% | 0.555 | 26% | 0.259 | S | S | * | . | trans | -72.4 | 160.9 | 165.4 | -54.9 | -179.9 | 0 | 0 | 0 | 110.6 | I666 Q669 | I666-L674 HydrophobicContact CG2-CD2 4.47Å; Q669-L674 HydrophobicContact CB-CD2 4.19Å | ||
| 675 | G | 90.1 | Very high | 89.3 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I666 | I666-G675 WeakPolarHBondContact CB-O 3.43Å; I666-G675 PolarHBondContact N-O 3.22Å |
| 676 | T | 92.7 | Very high | 89.3 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.5 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 109 | E663 I664 N665 Y678 | E663-T676 HydrophobicContact CB-CG2 3.87Å; E663-T676 HydrophobicContact CG-CG2 4.13Å; I664-T676 WeakPolarHBondContact O-CA 3.31Å; N665-T676 WeakPolarHBondContact OD1-CB 3.42Å; N665-T676 WeakPolarHBondContact OD1-CG2 3.28Å; N665-T676 PolarHBondContact OD1-OG1 3.43Å; T676-Y678 HydrophobicContact CG2-CE1 4.02Å; T676-Y678 HydrophobicContact CG2-CE2 4.27Å |
| 677 | I | 93 | Very high | 89.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.7 | 170.7 | -64.5 | 147.3 | 0 | 0 | 0 | 107.5 | E443 L444 K447 I664 I666 | E443-I677 HydrophobicContact CB-CG1 4.31Å; E443-I677 HydrophobicContact CB-CG2 3.74Å; L444-I677 HydrophobicContact CB-CD1 3.77Å; L444-I677 HydrophobicContact CD1-CD1 3.41Å; L444-I677 VanDerWaalsContact CD1-CD1 3.41Å; L444-I677 HydrophobicContact CG-CD1 4.19Å; K447-I677 HydrophobicContact CD-CD1 4Å; K447-I677 HydrophobicContact CD-CG1 3.83Å; I664-I677 HydrophobicContact CB-CB 4.34Å; I664-I677 PolarHBondContact N-O 3.19Å; I664-I677 PolarHBondContact O-N 3.01Å; I666-I677 HydrophobicContact CD1-CD1 3.96Å; I666-I677 HydrophobicContact CG1-CD1 4.39Å |
| 678 | Y | 94.9 | Very high | 89.1 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.4 | 178.3 | -58.4 | -82.9 | 0 | 0 | 0 | 110.2 | I661 A662 E663 T676 V689 Q691 A694 R695 S698 | I661-Y678 HydrophobicContact CG2-CD1 3.85Å; A662-Y678 WeakPolarHBondContact O-CA 3.12Å; E663-Y678 HydrophobicContact CG-CD1 3.99Å; E663-Y678 HydrophobicContact CG-CE1 3.73Å; T676-Y678 HydrophobicContact CG2-CE1 4.02Å; T676-Y678 HydrophobicContact CG2-CE2 4.27Å; Y678-V689 WeakPolarHBondContact O-CG1 3.17Å; Y678-Q691 PolarHBondContact O-NE2 3.5Å; Y678-A694 VanDerWaalsContact CB-CB 3.43Å; Y678-A694 HydrophobicContact CD1-CB 4.03Å; Y678-A694 HydrophobicContact CD2-CB 4.21Å; Y678-A694 HydrophobicContact CG-CB 3.62Å; Y678-R695 HydrophobicContact CD2-CB 4.31Å; Y678-R695 HydrophobicContact CE2-CB 3.6Å; Y678-R695 HydrophobicContact CE2-CG 3.97Å; Y678-S698 WeakPolarHBondContact CE1-OG 3.36Å |
| 679 | R | 94.5 | Very high | 89.1 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147.1 | 171.6 | -65.3 | -70.3 | -74.6 | -173.8 | -1.9 | 108.5 | E443 D473 A662 I664 F686 L687 | E443-R679 IonicContact OE2-NH1 2.86Å; D473-R679 IonicContact OD2-NH2 3.35Å; D473-R679 PolarHBondContact OD2-NH2 2.81Å; A662-R679 PolarHBondContact N-O 2.81Å; A662-R679 PolarHBondContact O-N 3.19Å; I664-R679 HydrophobicContact CD1-CG 3.72Å; I664-R679 HydrophobicContact CG1-CG 4.4Å; R679-F686 HydrophobicContact CB-CD1 3.74Å; R679-F686 HydrophobicContact CG-CD1 4.4Å; R679-L687 PolarHBondContact NE-O 3.09Å |
| 680 | R | 93.5 | Very high | 89.2 | Confident | 131 Ų | 131 | 59 Ų | 59 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130.3 | 170.3 | -178 | 174.5 | -171.3 | 148.8 | 1.7 | 108.4 | G660 F686 L687 V689 | G660-R680 CarbonylContact O-C 3.54Å; G660-R680 WeakPolarHBondContact O-CA 3.36Å; R680-F686 CarbonylContact O-C 3.56Å; R680-F686 WeakPolarHBondContact O-CA 3.38Å; R680-L687 HydrophobicContact CB-CB 4.24Å; R680-L687 PolarHBondContact N-O 2.83Å; R680-L687 PolarHBondContact O-N 2.79Å; R680-V689 HydrophobicContact CB-CB 4.08Å; R680-V689 HydrophobicContact CB-CG2 4.4Å |
| 681 | F | 92.5 | Very high | 89.6 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 102.8 | 173.9 | -167.3 | -97.5 | 0 | 0 | 0 | 109 | G660 A662 H685 F686 | G660-F681 PolarHBondContact O-N 3.44Å; A662-F681 HydrophobicContact CB-CB 4.11Å; F681-H685 WeakPolarHBondContact CA-O 3.39Å; F681-F686 AromaticContact CD2-CD1 4Å; F681-F686 HydrophobicContact CD2-CD1 4Å; F681-F686 HydrophobicContact CD2-CD2 4.19Å; F681-F686 AromaticContact CD2-CE1 3.86Å; F681-F686 HydrophobicContact CD2-CE1 3.86Å; F681-F686 HydrophobicContact CD2-CE2 4Å; F681-F686 HydrophobicContact CD2-CG 4.18Å; F681-F686 AromaticContact CD2-CZ 3.84Å; F681-F686 HydrophobicContact CD2-CZ 3.84Å; F681-F686 HydrophobicContact CE2-CD2 4.23Å; F681-F686 AromaticContact CE2-CE2 3.9Å; F681-F686 HydrophobicContact CE2-CE2 3.9Å; F681-F686 HydrophobicContact CE2-CZ 4.06Å |
| 682 | Y | 89.5 | Confident | 90.1 | Very high | 125 Ų | 125 | 55 Ų | 55 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.8 | -173.1 | -175.5 | -106.6 | 0 | 0 | 0 | 110.7 | G684 H685 | Y682-G684 PolarHBondContact O-N 2.83Å; Y682-H685 PolarHBondContact N-O 3.02Å; Y682-H685 PolarHBondContact O-N 3.31Å |
| 683 | N | 86.3 | Confident | 90.6 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 19.7 | -175 | -73.5 | -9.7 | 0 | 0 | 0 | 115.1 | P509 H685 | P509-N683 WeakPolarHBondContact CA-O 3.24Å; P509-N683 HydrophobicContact CB-CB 3.92Å; P509-N683 HydrophobicContact CG-CB 4.47Å; N683-H685 PolarHBondContact O-CD2 3.16Å |
| 684 | G | 86.8 | Confident | 90.9 | Very high | 30 Ų | 30 | 53 Ų | 53 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E469 Y682 | E469-G684 VanDerWaalsContact CG-O 3.22Å; E469-G684 WeakPolarHBondContact CG-O 3.01Å; Y682-G684 PolarHBondContact O-N 2.83Å |
| 685 | H | 90.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.7 | -177.1 | -55.8 | -65.2 | 0 | 0 | 0 | 111.8 | E469 A504 M508 F681 Y682 N683 | E469-H685 IonicContact OE1-CE1 3.19Å; E469-H685 IonicContact OE1-CG 2.59Å; E469-H685 IonicContact OE1-ND1 2.87Å; E469-H685 PolarHBondContact OE1-ND1 2.9Å; A504-H685 WeakPolarHBondContact CB-ND1 3.43Å; A504-H685 PolarHBondContact N-CE1 2.79Å; M508-H685 PolarHBondContact O-NE2 2.8Å; M508-H685 VanDerWaalsContact O-NE2 3.07Å; F681-H685 WeakPolarHBondContact CA-O 3.39Å; Y682-H685 PolarHBondContact N-O 3.02Å; Y682-H685 PolarHBondContact O-N 3.31Å; N683-H685 PolarHBondContact O-CD2 3.16Å |
| 686 | F | 92.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.8 | 175.6 | -72.4 | -84.8 | 0 | 0 | 0 | 111.2 | G466 E469 L470 L646 A662 R679 R680 F681 | G466-F686 WeakPolarHBondContact O-CE2 3.34Å; E469-F686 HydrophobicContact CB-CD2 4.16Å; E469-F686 HydrophobicContact CB-CE2 3.97Å; E469-F686 HydrophobicContact CG-CD2 3.94Å; E469-F686 HydrophobicContact CG-CE2 4.22Å; L470-F686 HydrophobicContact CB-CD2 4.24Å; L470-F686 HydrophobicContact CB-CE2 3.8Å; L470-F686 HydrophobicContact CB-CZ 4.3Å; L646-F686 HydrophobicContact CD1-CZ 4.2Å; L646-F686 HydrophobicContact CD2-CE1 4.32Å; L646-F686 HydrophobicContact CD2-CZ 4.05Å; A662-F686 HydrophobicContact CB-CD1 4.24Å; A662-F686 HydrophobicContact CB-CE1 3.52Å; A662-F686 HydrophobicContact CB-CZ 4.44Å; R679-F686 HydrophobicContact CB-CD1 3.74Å; R679-F686 HydrophobicContact CG-CD1 4.4Å; R680-F686 CarbonylContact O-C 3.56Å; R680-F686 WeakPolarHBondContact O-CA 3.38Å; F681-F686 AromaticContact CD2-CD1 4Å; F681-F686 HydrophobicContact CD2-CD1 4Å; F681-F686 HydrophobicContact CD2-CD2 4.19Å; F681-F686 AromaticContact CD2-CE1 3.86Å; F681-F686 HydrophobicContact CD2-CE1 3.86Å; F681-F686 HydrophobicContact CD2-CE2 4Å; F681-F686 HydrophobicContact CD2-CG 4.18Å; F681-F686 AromaticContact CD2-CZ 3.84Å; F681-F686 HydrophobicContact CD2-CZ 3.84Å; F681-F686 HydrophobicContact CE2-CD2 4.23Å; F681-F686 AromaticContact CE2-CE2 3.9Å; F681-F686 HydrophobicContact CE2-CE2 3.9Å; F681-F686 HydrophobicContact CE2-CZ 4.06Å |
| 687 | L | 90.9 | Very high | 90.3 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 38% | 0.382 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 156.9 | 179.6 | -62.1 | 174.3 | 0 | 0 | 0 | 110.8 | R679 R680 | R679-L687 PolarHBondContact NE-O 3.09Å; R680-L687 HydrophobicContact CB-CB 4.24Å; R680-L687 PolarHBondContact N-O 2.83Å; R680-L687 PolarHBondContact O-N 2.79Å |
| 688 | P | 90.7 | Very high | 89.9 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | trans | -57.3 | 147.8 | 172.3 | -22.8 | 33.7 | 0 | 0 | 0 | 112.6 | ||||
| 689 | V | 92 | Very high | 89 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | trans | -146.8 | 151.2 | 176.7 | 71.3 | 0 | 0 | 0 | 0 | 109.9 | Y678 R680 Q691 A694 | Y678-V689 WeakPolarHBondContact O-CG1 3.17Å; R680-V689 HydrophobicContact CB-CB 4.08Å; R680-V689 HydrophobicContact CB-CG2 4.4Å; V689-Q691 PolarHBondContact O-N 3.32Å; V689-Q691 PolarHBondContact O-NE2 2.83Å; V689-A694 HydrophobicContact CG1-CB 4.12Å; V689-A694 HydrophobicContact CG2-CB 4.31Å | ||
| 690 | D | 91.9 | Very high | 87.5 | Confident | 96 Ų | 96 | 64.7 Ų | 64.7 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | trans | -63.8 | 118.5 | 170.6 | 179.2 | 67.6 | 0 | 0 | 0 | 110.6 | E692 S693 A694 | D690-E692 PolarHBondContact O-N 3.46Å; D690-S693 WeakPolarHBondContact OD2-CB 3.31Å; D690-S693 PolarHBondContact OD2-N 3.39Å; D690-S693 PolarHBondContact OD2-OG 2.76Å; D690-A694 WeakPolarHBondContact O-CB 3.42Å; D690-A694 PolarHBondContact O-N 3.07Å | ||
| 691 | Q | 92.3 | Very high | 85.3 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 23% | 0.234 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | -171.7 | -64.2 | -61.4 | -44.7 | 0 | 0 | 112.4 | E443 Y678 V689 A694 R695 | E443-Q691 VanDerWaalsContact CD-NE2 3.34Å; E443-Q691 HydrophobicContact CG-CG 3.86Å; E443-Q691 PolarHBondContact OE1-NE2 3.07Å; Y678-Q691 PolarHBondContact O-NE2 3.5Å; V689-Q691 PolarHBondContact O-N 3.32Å; V689-Q691 PolarHBondContact O-NE2 2.83Å; Q691-A694 PolarHBondContact O-N 2.71Å; Q691-R695 VanDerWaalsContact O-CB 3.27Å; Q691-R695 WeakPolarHBondContact O-CB 3.37Å; Q691-R695 PolarHBondContact O-N 2.78Å |
| 692 | E | 87.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 47% | 0.467 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.1 | -44.9 | -176.3 | -177.2 | 56.9 | -162.4 | 0 | 0 | 111.2 | D690 A694 R695 V696 | D690-E692 PolarHBondContact O-N 3.46Å; E692-A694 VanDerWaalsContact C-N 3.31Å; E692-A694 PolarHBondContact O-N 3.15Å; E692-R695 WeakPolarHBondContact O-CB 3.29Å; E692-R695 PolarHBondContact O-N 3.3Å; E692-R695 IonicContact OE1-CZ 3.86Å; E692-R695 IonicContact OE1-NE 2.7Å; E692-R695 IonicContact OE1-NH2 3.3Å; E692-R695 PolarHBondContact OE1-NH2 2.65Å; E692-R695 IonicContact OE2-CZ 2.67Å; E692-R695 IonicContact OE2-NE 3.8Å; E692-R695 PolarHBondContact OE2-NE 2.93Å; E692-R695 IonicContact OE2-NH2 2.66Å; E692-R695 PolarHBondContact OE2-NH2 3.46Å; E692-V696 WeakPolarHBondContact O-CG2 3.43Å; E692-V696 PolarHBondContact O-N 2.92Å |
| 693 | S | 87.3 | Confident | 80.2 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.1 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | D690 V696 L697 | D690-S693 WeakPolarHBondContact OD2-CB 3.31Å; D690-S693 PolarHBondContact OD2-N 3.39Å; D690-S693 PolarHBondContact OD2-OG 2.76Å; S693-V696 PolarHBondContact O-N 3.4Å; S693-L697 WeakPolarHBondContact O-CG 3.42Å; S693-L697 PolarHBondContact O-N 3.38Å; S693-L697 VanDerWaalsContact O-N 3.16Å |
| 694 | A | 89.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.008 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I661 Y678 V689 D690 Q691 E692 L697 S698 | I661-A694 HydrophobicContact CD1-CB 3.98Å; I661-A694 HydrophobicContact CG2-CB 4.06Å; Y678-A694 VanDerWaalsContact CB-CB 3.43Å; Y678-A694 HydrophobicContact CD1-CB 4.03Å; Y678-A694 HydrophobicContact CD2-CB 4.21Å; Y678-A694 HydrophobicContact CG-CB 3.62Å; V689-A694 HydrophobicContact CG1-CB 4.12Å; V689-A694 HydrophobicContact CG2-CB 4.31Å; D690-A694 WeakPolarHBondContact O-CB 3.42Å; D690-A694 PolarHBondContact O-N 3.07Å; Q691-A694 PolarHBondContact O-N 2.71Å; E692-A694 VanDerWaalsContact C-N 3.31Å; E692-A694 PolarHBondContact O-N 3.15Å; A694-L697 PolarHBondContact O-N 2.9Å; A694-S698 VanDerWaalsContact O-CB 3.3Å; A694-S698 WeakPolarHBondContact O-CB 3.38Å; A694-S698 PolarHBondContact O-N 3.33Å; A694-S698 PolarHBondContact O-OG 2.85Å |
| 695 | R | 88.4 | Confident | 74.6 | Confident | 113 Ų | 113 | 81.6 Ų | 81.6 | 43% | 0.426 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.4 | -171.3 | -175.9 | 74.2 | 81 | 0.3 | 112.1 | Y678 Q691 E692 S698 T699 | Y678-R695 HydrophobicContact CD2-CB 4.31Å; Y678-R695 HydrophobicContact CE2-CB 3.6Å; Y678-R695 HydrophobicContact CE2-CG 3.97Å; Q691-R695 VanDerWaalsContact O-CB 3.27Å; Q691-R695 WeakPolarHBondContact O-CB 3.37Å; Q691-R695 PolarHBondContact O-N 2.78Å; E692-R695 WeakPolarHBondContact O-CB 3.29Å; E692-R695 PolarHBondContact O-N 3.3Å; E692-R695 IonicContact OE1-CZ 3.86Å; E692-R695 IonicContact OE1-NE 2.7Å; E692-R695 IonicContact OE1-NH2 3.3Å; E692-R695 PolarHBondContact OE1-NH2 2.65Å; E692-R695 IonicContact OE2-CZ 2.67Å; E692-R695 IonicContact OE2-NE 3.8Å; E692-R695 PolarHBondContact OE2-NE 2.93Å; E692-R695 IonicContact OE2-NH2 2.66Å; E692-R695 PolarHBondContact OE2-NH2 3.46Å; R695-S698 PolarHBondContact O-N 2.9Å; R695-T699 PolarHBondContact O-N 3.33Å; R695-T699 PolarHBondContact O-OG1 3.29Å |
| 696 | V | 86.1 | Confident | 71.7 | Confident | 88 Ų | 88 | 86.7 Ų | 86.7 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | E692 S693 S698 T699 | E692-V696 WeakPolarHBondContact O-CG2 3.43Å; E692-V696 PolarHBondContact O-N 2.92Å; S693-V696 PolarHBondContact O-N 3.4Å; V696-S698 VanDerWaalsContact C-N 3.29Å; V696-S698 PolarHBondContact O-N 3.21Å; V696-T699 PolarHBondContact O-N 3.11Å |
| 697 | L | 86.7 | Confident | 68.6 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.366 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 179.5 | -67.1 | 170.5 | 0 | 0 | 0 | 113.3 | Q657 I661 S693 A694 | Q657-L697 HydrophobicContact CB-CD2 4.23Å; I661-L697 HydrophobicContact CD1-CB 3.98Å; I661-L697 HydrophobicContact CD1-CD1 3.73Å; S693-L697 WeakPolarHBondContact O-CG 3.42Å; S693-L697 PolarHBondContact O-N 3.38Å; S693-L697 VanDerWaalsContact O-N 3.16Å; A694-L697 PolarHBondContact O-N 2.9Å |
| 698 | S | 83.6 | Confident | 65.4 | Low | 9 Ų | 9 | 105.3 Ų | 105.3 | 6% | 0.063 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -86.9 | -9.5 | -177 | -54.2 | 0 | 0 | 0 | 0 | 114.3 | R624 Y678 A694 R695 V696 P700 | R624-S698 PolarHBondContact NH2-O 3.05Å; R624-S698 VanDerWaalsContact NH2-O 3.08Å; Y678-S698 WeakPolarHBondContact CE1-OG 3.36Å; A694-S698 VanDerWaalsContact O-CB 3.3Å; A694-S698 WeakPolarHBondContact O-CB 3.38Å; A694-S698 PolarHBondContact O-N 3.33Å; A694-S698 PolarHBondContact O-OG 2.85Å; R695-S698 PolarHBondContact O-N 2.9Å; V696-S698 VanDerWaalsContact C-N 3.29Å; V696-S698 PolarHBondContact O-N 3.21Å; S698-P700 WeakPolarHBondContact O-CD 3.46Å |
| 699 | T | 76.6 | Confident | 62.5 | Low | 82 Ų | 82 | 111 Ų | 111 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -79.7 | 118.9 | -178.7 | -60 | 0 | 0 | 0 | 0 | 110.4 | R695 V696 M701 | R695-T699 PolarHBondContact O-N 3.33Å; R695-T699 PolarHBondContact O-OG1 3.29Å; V696-T699 PolarHBondContact O-N 3.11Å; T699-M701 PolarHBondContact O-N 3.36Å |
| 700 | P | 62.9 | Low | 59.4 | Low | 94 Ų | 94 | 117 Ų | 117 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 131.4 | 179.8 | -16.6 | 28.6 | 0 | 0 | 0 | 111.6 | S698 K702 | S698-P700 WeakPolarHBondContact O-CD 3.46Å; P700-K702 PolarHBondContact O-N 3.39Å |
| 701 | M | 46.8 | Very low | 56.3 | Low | 167 Ų | 167 | 119.2 Ų | 119.2 | 82% | 0.823 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.5 | 167.8 | -74.4 | -178.3 | 74.8 | 0 | 0 | 109.7 | T699 | T699-M701 PolarHBondContact O-N 3.36Š|
| 702 | K | 40.2 | Very low | 53.2 | Low | 201 Ų | 201 | 121.8 Ų | 121.8 | 87% | 0.874 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 128.5 | 176.1 | -79.3 | -177.6 | 178.3 | 176.8 | 0 | 110 | P700 G704 | P700-K702 PolarHBondContact O-N 3.39Å; K702-G704 PolarHBondContact O-N 3.48Å |
| 703 | P | 34.4 | Very low | 50.3 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.5 | 172 | -16.8 | 28.9 | 0 | 0 | 0 | 110.1 | ||
| 704 | G | 29.8 | Very low | 47.4 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 142.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K702 | K702-G704 PolarHBondContact O-N 3.48Š|
| 705 | N | 26.2 | Very low | 44.3 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 122.2 | -176.4 | -131 | 5.2 | 0 | 0 | 0 | 111.6 | R707 | N705-R707 PolarHBondContact O-N 3.2Š|
| 706 | P | 29.1 | Very low | 41.5 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.3 | 176.2 | -11.5 | 26.4 | 0 | 0 | 0 | 110 | R708 | P706-R708 PolarHBondContact O-N 3.45Š|
| 707 | R | 27.9 | Very low | 38.7 | Very low | 218 Ų | 218 | 145.4 Ų | 145.4 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.7 | 173.1 | -75 | 177.9 | 171.6 | 170.4 | -2.6 | 110.4 | N705 Y709 | N705-R707 PolarHBondContact O-N 3.2Å; R707-Y709 PolarHBondContact O-N 2.92Å |
| 708 | R | 25 | Very low | 36.2 | Very low | 251 Ų | 251 | 144.2 Ų | 144.2 | 95% | 0.947 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.6 | 167 | -81 | 178.2 | 169.5 | 174 | -3.6 | 109.7 | P706 | P706-R708 PolarHBondContact O-N 3.45Š|
| 709 | Y | 28.1 | Very low | 34 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 139.3 | 164.5 | -93.8 | -89.2 | 0 | 0 | 0 | 110.9 | R707 | R707-Y709 PolarHBondContact O-N 2.92Š|
| 710 | N | 27.7 | Very low | 32.2 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 143.7 | -172.5 | -152.7 | 0.6 | 0 | 0 | 0 | 111 | ||
| 711 | K | 26.6 | Very low | 31 | Very low | 143 Ų | 143 | 158.7 Ų | 158.7 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 136.1 | -176 | -75.6 | 178.4 | 173.2 | 179.9 | 0 | 112.2 | ||
| 712 | S | 27.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 154.6 Ų | 154.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -120.4 | 123.8 | 158.3 | 48 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 713 | Y | 26.5 | Very low | 31 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | trans | -78.6 | 135.8 | -173.7 | -74.9 | -102.1 | 0 | 0 | 0 | 111.7 | ||||
| 714 | W | 25.7 | Very low | 31.4 | Very low | 239 Ų | 239 | 148.4 Ų | 148.4 | 91% | 0.905 | 69% | 0.692 | S | S | * | * | trans | -124.1 | 116.9 | 161.5 | -73.7 | 98.4 | 0 | 0 | 0 | 109.8 | ||||
| 715 | Y | 25.3 | Very low | 32 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | trans | -78.9 | 137 | 168.5 | -89.8 | -101.3 | 0 | 0 | 0 | 109.5 | P743 | Y715-P743 HydrophobicContact CE1-CG 4.36Å; Y715-P743 WeakPolarHBondContact OH-CG 3.48Å | ||
| 716 | V | 28.1 | Very low | 32.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 81% | 0.806 | 66% | 0.661 | S | S | * | * | trans | -120.5 | 102 | 157.6 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 717 | M | 28.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | -78.5 | 135.8 | 161.3 | -74.9 | -141.3 | -67.3 | 0 | 0 | 108.4 | T719 | M717-T719 PolarHBondContact O-N 2.96Å; M717-T719 VanDerWaalsContact O-N 3.15Å | ||
| 718 | L | 33.3 | Very low | 33.6 | Very low | 45 Ų | 45 | 144.7 Ų | 144.7 | 24% | 0.236 | 65% | 0.651 | C | S | . | * | trans | -45.5 | 121.9 | 169.1 | -77.3 | 167.9 | 0 | 0 | 0 | 110 | E722 V738 | L718-E722 WeakPolarHBondContact CA-OE2 3.45Å; L718-E722 HydrophobicContact CD2-CB 3.82Å; L718-E722 HydrophobicContact CD2-CG 4.49Å; L718-V738 HydrophobicContact CD2-CG1 4.12Å | ||
| 719 | T | 38.3 | Very low | 34.1 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 44% | 0.442 | 65% | 0.652 | S | S | . | * | trans | -62.7 | 152.8 | 172.7 | 61.7 | 0 | 0 | 0 | 0 | 109.6 | M717 R721 E722 K723 | M717-T719 PolarHBondContact O-N 2.96Å; M717-T719 VanDerWaalsContact O-N 3.15Å; T719-R721 PolarHBondContact O-N 2.89Å; T719-R721 VanDerWaalsContact O-N 3.11Å; T719-E722 PolarHBondContact N-OE2 3.39Å; T719-E722 PolarHBondContact O-N 3.3Å; T719-E722 WeakPolarHBondContact OG1-CG 3.33Å; T719-E722 PolarHBondContact OG1-N 3.31Å; T719-E722 PolarHBondContact OG1-OE2 2.93Å; T719-K723 PolarHBondContact O-N 2.98Å | ||
| 720 | R | 37.5 | Very low | 34.2 | Very low | 217 Ų | 217 | 139.5 Ų | 139.5 | 82% | 0.819 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.8 | -33.5 | 173.9 | -143.4 | 176.1 | -170.9 | 179.9 | 1.4 | 111.3 | K723 D724 | R720-K723 PolarHBondContact O-N 2.93Å; R720-D724 VanDerWaalsContact O-CG 3.25Å; R720-D724 PolarHBondContact O-N 3.12Å |
| 721 | R | 37.9 | Very low | 34.5 | Very low | 200 Ų | 200 | 136 Ų | 136 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.3 | -44.3 | 176.4 | -152 | 178.6 | -171.4 | -177.5 | 1 | 112.7 | T719 D724 M725 | T719-R721 PolarHBondContact O-N 2.89Å; T719-R721 VanDerWaalsContact O-N 3.11Å; R721-D724 PolarHBondContact O-N 2.93Å; R721-M725 VanDerWaalsContact O-CG 3.24Å; R721-M725 WeakPolarHBondContact O-CG 3.33Å; R721-M725 PolarHBondContact O-N 3.45Å |
| 722 | E | 43.9 | Very low | 34.7 | Very low | 81 Ų | 81 | 136 Ų | 136 | 38% | 0.379 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70 | -33.2 | 177.3 | -69.2 | 160 | 134.6 | 0 | 0 | 112.1 | L718 T719 D724 L726 | L718-E722 WeakPolarHBondContact CA-OE2 3.45Å; L718-E722 HydrophobicContact CD2-CB 3.82Å; L718-E722 HydrophobicContact CD2-CG 4.49Å; T719-E722 PolarHBondContact N-OE2 3.39Å; T719-E722 PolarHBondContact O-N 3.3Å; T719-E722 WeakPolarHBondContact OG1-CG 3.33Å; T719-E722 PolarHBondContact OG1-N 3.31Å; T719-E722 PolarHBondContact OG1-OE2 2.93Å; E722-D724 VanDerWaalsContact C-N 3.34Å; E722-L726 PolarHBondContact O-N 3.49Å |
| 723 | K | 43.4 | Very low | 34.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.6 | -34.2 | 171.2 | -80.5 | -176.6 | 176 | 178.5 | 0 | 113 | T719 R720 | T719-K723 PolarHBondContact O-N 2.98Å; R720-K723 PolarHBondContact O-N 2.93Å |
| 724 | D | 43.2 | Very low | 35.3 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 45% | 0.449 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -78 | -34.5 | 177.7 | -67.2 | -27 | 0 | 0 | 0 | 111.4 | R720 R721 E722 L726 K727 Q728 | R720-D724 VanDerWaalsContact O-CG 3.25Å; R720-D724 PolarHBondContact O-N 3.12Å; R721-D724 PolarHBondContact O-N 2.93Å; E722-D724 VanDerWaalsContact C-N 3.34Å; D724-L726 VanDerWaalsContact C-N 3.3Å; D724-L726 PolarHBondContact O-N 3.25Å; D724-K727 PolarHBondContact O-N 3.07Å; D724-Q728 PolarHBondContact O-N 3.43Å |
| 725 | M | 41.2 | Very low | 35.9 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 44% | 0.438 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.3 | -29.6 | 173.3 | -71.5 | 173.4 | 77 | 0 | 0 | 113 | R721 K727 M731 | R721-M725 VanDerWaalsContact O-CG 3.24Å; R721-M725 WeakPolarHBondContact O-CG 3.33Å; R721-M725 PolarHBondContact O-N 3.45Å; M725-K727 PolarHBondContact O-N 3.45Å; M725-M731 HydrophobicContact CB-SD 4.37Å; M725-M731 HydrophobicContact CE-CE 4.29Å; M725-M731 HydrophobicContact CE-SD 3.35Å; M725-M731 WeakPolarHBondContact CE-SD 3.17Å |
| 726 | L | 38.7 | Very low | 36.9 | Very low | 92 Ų | 92 | 123.1 Ų | 123.1 | 48% | 0.482 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | -15.9 | 172.3 | -81.1 | 161.4 | 0 | 0 | 0 | 113.7 | E722 D724 | E722-L726 PolarHBondContact O-N 3.49Å; D724-L726 VanDerWaalsContact C-N 3.3Å; D724-L726 PolarHBondContact O-N 3.25Å |
| 727 | K | 42.6 | Very low | 38.1 | Very low | 165 Ų | 165 | 118 Ų | 118 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -16.9 | -178 | -74.5 | -178.6 | 176.4 | -179.2 | 0 | 114.2 | D724 M725 | D724-K727 PolarHBondContact O-N 3.07Å; M725-K727 PolarHBondContact O-N 3.45Å |
| 728 | Q | 36.5 | Very low | 39.3 | Very low | 144 Ų | 144 | 112.3 Ų | 112.3 | 67% | 0.673 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -108.5 | 122.3 | 179.5 | -72.6 | 178.5 | -20.6 | 0 | 0 | 108.8 | D724 D730 | D724-Q728 PolarHBondContact O-N 3.43Å; Q728-D730 PolarHBondContact O-N 2.98Å |
| 729 | Q | 35.9 | Very low | 40.3 | Very low | 206 Ų | 206 | 111.9 Ų | 111.9 | 96% | 0.963 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -65.5 | 13.2 | -178.8 | -81.6 | 176.4 | -40.5 | 0 | 0 | 114.9 | ||
| 730 | D | 30.5 | Very low | 41 | Very low | 150 Ų | 150 | 110.3 Ų | 110.3 | 80% | 0.802 | 55% | 0.553 | S | S | * | * | trans | -100.8 | 87.4 | 178.7 | -91.4 | -27.3 | 0 | 0 | 0 | 110.7 | Q728 | Q728-D730 PolarHBondContact O-N 2.98Š| ||
| 731 | M | 33.1 | Very low | 41.3 | Very low | 88 Ų | 88 | 103 Ų | 103 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | trans | -144.7 | 68.3 | 177.1 | -81.4 | -80 | -58.9 | 0 | 0 | 109.8 | M725 | M725-M731 HydrophobicContact CB-SD 4.37Å; M725-M731 HydrophobicContact CE-CE 4.29Å; M725-M731 HydrophobicContact CE-SD 3.35Å; M725-M731 WeakPolarHBondContact CE-SD 3.17Å | ||
| 732 | T | 31.7 | Very low | 41.9 | Very low | 142 Ų | 142 | 94.9 Ų | 94.9 | 87% | 0.871 | 50% | 0.499 | S | S | * | . | trans | -87.9 | 0.3 | 176.2 | 30.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 733 | E | 29.6 | Very low | 41.9 | Very low | 162 Ų | 162 | 93.5 Ų | 93.5 | 76% | 0.757 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -135.6 | 139 | -179.4 | -70.9 | -179.5 | 157.2 | 0 | 0 | 111.6 | ||
| 734 | T | 36.5 | Very low | 41.6 | Very low | 116 Ų | 116 | 92.5 Ų | 92.5 | 71% | 0.712 | 51% | 0.51 | S | S | * | . | trans | 76.1 | 114 | 177.2 | 31.7 | 0 | 0 | 0 | 0 | 119.5 | A736 | T734-A736 PolarHBondContact O-N 3.21Š| ||
| 735 | A | 38.1 | Very low | 41.8 | Very low | 73 Ų | 73 | 93.7 Ų | 93.7 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | trans | -68.8 | 82.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 736 | A | 47.1 | Very low | 42.2 | Very low | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | trans | -83.6 | 122.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T734 | T734-A736 PolarHBondContact O-N 3.21Š| ||
| 737 | A | 51.7 | Low | 42.9 | Very low | 26 Ų | 26 | 91.9 Ų | 91.9 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | trans | -93.6 | 128.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109 | M1057 V1080 | A737-M1057 HydrophobicContact CB-CE 3.81Å; A737-M1057 HydrophobicContact CB-CG 4.45Å; A737-M1057 HydrophobicContact CB-SD 3.54Å; A737-M1057 VanDerWaalsContact CB-SD 3.54Å; A737-V1080 HydrophobicContact CB-CG1 3.95Å | ||
| 738 | V | 55.6 | Low | 43 | Very low | 40 Ų | 40 | 87.3 Ų | 87.3 | 24% | 0.242 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 108 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | L718 A1063 I1064 G1065 | L718-V738 HydrophobicContact CD2-CG1 4.12Å; V738-A1063 PolarHBondContact N-O 3.39Å; V738-A1063 VanDerWaalsContact N-O 3.1Å; V738-I1064 HydrophobicContact CB-CG1 4.4Å; V738-I1064 WeakPolarHBondContact O-CA 3.34Å; V738-G1065 PolarHBondContact O-N 3.36Å |
| 739 | L | 52.7 | Low | 43.5 | Very low | 35 Ų | 35 | 82.9 Ų | 82.9 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.3 | 178.4 | -69.9 | 174.9 | 0 | 0 | 0 | 109.6 | M1047 V1053 F1073 T1076 A1077 V1080 | L739-M1047 HydrophobicContact CD2-CE 4.19Å; L739-M1047 HydrophobicContact CD2-SD 3.83Å; L739-V1053 HydrophobicContact CD2-CG1 4.16Å; L739-V1053 HydrophobicContact CD2-CG2 4.38Å; L739-F1073 HydrophobicContact CB-CE2 3.6Å; L739-F1073 HydrophobicContact CB-CZ 3.92Å; L739-T1076 HydrophobicContact CD1-CG2 4.33Å; L739-T1076 HydrophobicContact CD2-CG2 4.4Å; L739-A1077 HydrophobicContact CD1-CB 3.81Å; L739-V1080 HydrophobicContact CD1-CG2 4.49Å |
| 740 | H | 53.7 | Low | 44.1 | Very low | 39 Ų | 39 | 75.2 Ų | 75.2 | 18% | 0.181 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.7 | 176.6 | -73.1 | -64.3 | 0 | 0 | 0 | 111.7 | T756 G1065 V1066 E1067 F1073 | H740-T756 HydrophobicContact CB-CG2 4.34Å; H740-G1065 PolarHBondContact N-O 2.94Å; H740-V1066 HydrophobicContact CB-CG2 4.37Å; H740-E1067 PolarHBondContact O-N 3.45Å; H740-F1073 WeakPolarHBondContact O-CE2 3.31Å |
| 741 | F | 43.8 | Very low | 45.1 | Very low | 65 Ų | 65 | 77.7 Ų | 77.7 | 29% | 0.285 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.7 | 171.7 | 176.9 | -118.9 | 0 | 0 | 0 | 110.6 | P743 L1068 A1070 F1073 | F741-P743 HydrophobicContact CE1-CB 3.86Å; F741-P743 HydrophobicContact CE1-CG 4.3Å; F741-P743 HydrophobicContact CZ-CB 4.25Å; F741-L1068 WeakPolarHBondContact CE2-O 3.37Å; F741-A1070 HydrophobicContact CD2-CB 4.42Å; F741-A1070 HydrophobicContact CE1-CB 4.3Å; F741-A1070 HydrophobicContact CE2-CB 3.49Å; F741-A1070 VanDerWaalsContact CE2-CB 3.49Å; F741-A1070 HydrophobicContact CZ-CB 3.41Å; F741-A1070 VanDerWaalsContact CZ-CB 3.41Å; F741-F1073 HydrophobicContact CB-CD1 3.71Å; F741-F1073 HydrophobicContact CB-CD2 3.74Å; F741-F1073 HydrophobicContact CB-CE1 3.73Å; F741-F1073 HydrophobicContact CB-CE2 3.74Å; F741-F1073 HydrophobicContact CB-CG 3.72Å; F741-F1073 HydrophobicContact CB-CZ 3.75Å; F741-F1073 HydrophobicContact CD2-CB 3.81Å; F741-F1073 HydrophobicContact CD2-CD1 4.23Å; F741-F1073 HydrophobicContact CD2-CD2 4.4Å; F741-F1073 AromaticContact CD2-CG 3.88Å; F741-F1073 HydrophobicContact CD2-CG 3.88Å; F741-F1073 HydrophobicContact CG-CD1 4.1Å; F741-F1073 HydrophobicContact CG-CG 4.11Å; F741-F1073 VanDerWaalsContact N-CE2 3.34Å |
| 742 | L | 50.9 | Low | 46.3 | Very low | 29 Ų | 29 | 74.5 Ų | 74.5 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | trans | -111.3 | 106.3 | 175 | -65.2 | 173.7 | 0 | 0 | 0 | 110.8 | T756 V1066 E1067 | L742-T756 VanDerWaalsContact CD1-OG1 3.28Å; L742-T756 WeakPolarHBondContact CD1-OG1 3.28Å; L742-T756 WeakPolarHBondContact CD2-OG1 3.13Å; L742-V1066 HydrophobicContact CD1-CG1 3.53Å; L742-V1066 HydrophobicContact CG-CG1 4.1Å; L742-E1067 PolarHBondContact N-O 3.48Å | ||
| 743 | P | 44.5 | Very low | 47.7 | Very low | 51 Ų | 51 | 67.8 Ų | 67.8 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | trans | -69.4 | 155.6 | 174.2 | 22.6 | -26.7 | 0 | 0 | 0 | 113 | Y715 F741 | Y715-P743 HydrophobicContact CE1-CG 4.36Å; Y715-P743 WeakPolarHBondContact OH-CG 3.48Å; F741-P743 HydrophobicContact CE1-CB 3.86Å; F741-P743 HydrophobicContact CE1-CG 4.3Å; F741-P743 HydrophobicContact CZ-CB 4.25Å | ||
| 744 | A | 36.6 | Very low | 49 | Very low | 92 Ų | 92 | 63.1 Ų | 63.1 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -67.4 | 115.7 | -153.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 745 | D | 46.7 | Very low | 50.1 | Low | 108 Ų | 108 | 67.2 Ų | 67.2 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | S | Bend | -140.5 | 146.8 | 124.6 | 12.1 | -44.5 | 0 | 0 | 0 | 105.2 | M752 | D745-M752 HydrophobicContact CB-CE 4.32Å; D745-M752 WeakPolarHBondContact O-CE 3.39Å | |
| 746 | K | 49.3 | Very low | 51.1 | Low | 133 Ų | 133 | 64.2 Ų | 64.2 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | trans | -44.2 | 154.8 | -172.7 | -58.1 | 176.2 | 176.8 | -176.2 | 0 | 112.4 | V748 Q785 | K746-V748 HydrophobicContact CB-CB 3.97Å; K746-V748 HydrophobicContact CB-CG2 3.38Å; K746-V748 HydrophobicContact CD-CG2 3.85Å; K746-V748 HydrophobicContact CG-CG2 4.26Å; K746-V748 PolarHBondContact O-N 3.32Å; K746-Q785 HydrophobicContact CD-CB 4.36Å | ||
| 747 | W | 53.1 | Low | 51.7 | Low | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -7.7 | 173.1 | -61.1 | 100.6 | 0 | 0 | 0 | 114 | T749 M753 W795 F1045 F1046 V1066 L1068 | W747-T749 PolarHBondContact O-N 3.4Å; W747-M753 HydrophobicContact CZ3-CE 3.88Å; W747-W795 HydrophobicContact CB-CZ2 4.06Å; W747-W795 HydrophobicContact CD2-CZ2 4.44Å; W747-W795 HydrophobicContact CE3-CZ2 4.25Å; W747-W795 HydrophobicContact CG-CZ2 4.42Å; W747-W795 PolarHBondContact O-NE1 2.64Å; W747-F1045 WeakPolarHBondContact CH2-O 3.39Å; W747-F1046 HydrophobicContact CD2-CD1 4.44Å; W747-F1046 HydrophobicContact CD2-CE1 4.01Å; W747-F1046 HydrophobicContact CE3-CD1 4.42Å; W747-F1046 AromaticContact CE3-CE1 3.74Å; W747-F1046 HydrophobicContact CE3-CE1 3.74Å; W747-F1046 AromaticContact CH2-CD1 3.58Å; W747-F1046 HydrophobicContact CH2-CD1 3.58Å; W747-F1046 AromaticContact CH2-CE1 3.62Å; W747-F1046 HydrophobicContact CH2-CE1 3.62Å; W747-F1046 AromaticContact CZ2-CD1 3.58Å; W747-F1046 HydrophobicContact CZ2-CD1 3.58Å; W747-F1046 AromaticContact CZ2-CE1 3.89Å; W747-F1046 HydrophobicContact CZ2-CE1 3.89Å; W747-F1046 HydrophobicContact CZ3-CD1 4.01Å; W747-F1046 AromaticContact CZ3-CE1 3.53Å; W747-F1046 HydrophobicContact CZ3-CE1 3.53Å; W747-F1046 HydrophobicContact CZ3-CZ 4.49Å; W747-V1066 HydrophobicContact CH2-CG1 4.28Å; W747-L1068 HydrophobicContact CG-CD2 4.31Å; W747-L1068 HydrophobicContact CZ2-CB 3.78Å |
| 748 | V | 44.5 | Very low | 52.1 | Low | 68 Ų | 68 | 62.6 Ų | 62.6 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -34.5 | -32 | 172.3 | 174.8 | 0 | 0 | 0 | 0 | 116.1 | K746 Q785 | K746-V748 HydrophobicContact CB-CB 3.97Å; K746-V748 HydrophobicContact CB-CG2 3.38Å; K746-V748 HydrophobicContact CD-CG2 3.85Å; K746-V748 HydrophobicContact CG-CG2 4.26Å; K746-V748 PolarHBondContact O-N 3.32Å; V748-Q785 HydrophobicContact CG2-CB 3.93Å; V748-Q785 HydrophobicContact CG2-CG 4.16Å |
| 749 | T | 48.5 | Very low | 52.7 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | trans | -103.8 | 127.5 | -178.2 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | W747 R751 M752 | W747-T749 PolarHBondContact O-N 3.4Å; T749-R751 PolarHBondContact O-N 3.19Å; T749-M752 PolarHBondContact O-N 3.2Å; T749-M752 VanDerWaalsContact O-N 3.09Å | ||
| 750 | P | 48.2 | Very low | 53.8 | Low | 46 Ų | 46 | 63 Ų | 63 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -52.8 | -20.3 | 169.6 | -27.5 | 34.5 | 0 | 0 | 0 | 114 | M752 T754 H798 | P750-M752 VanDerWaalsContact C-N 3.32Å; P750-M752 PolarHBondContact O-N 3.06Å; P750-T754 PolarHBondContact O-N 2.82Å; P750-T754 PolarHBondContact O-OG1 2.91Å; P750-H798 HydrophobicContact CB-CB 4.02Å |
| 751 | R | 52.1 | Low | 55 | Low | 201 Ų | 201 | 64.3 Ų | 64.3 | 76% | 0.758 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.2 | -27.3 | 178.8 | -76 | -176.3 | 169.9 | 179.3 | -2.1 | 113.7 | T749 R755 | T749-R751 PolarHBondContact O-N 3.19Å; R751-R755 WeakPolarHBondContact O-CG 3.19Å; R751-R755 PolarHBondContact O-N 3.34Å |
| 752 | M | 56.9 | Low | 56.8 | Low | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.4 | -50.8 | -178.3 | -81.1 | -170.1 | 148.3 | 0 | 0 | 112.5 | D745 T749 P750 T754 R755 T756 | D745-M752 HydrophobicContact CB-CE 4.32Å; D745-M752 WeakPolarHBondContact O-CE 3.39Å; T749-M752 PolarHBondContact O-N 3.2Å; T749-M752 VanDerWaalsContact O-N 3.09Å; P750-M752 VanDerWaalsContact C-N 3.32Å; P750-M752 PolarHBondContact O-N 3.06Å; M752-T754 VanDerWaalsContact C-N 3.28Å; M752-T754 PolarHBondContact O-N 3.08Å; M752-R755 PolarHBondContact O-N 3.48Å; M752-R755 VanDerWaalsContact O-N 3.1Å; M752-T756 PolarHBondContact O-N 3.3Å; M752-T756 PolarHBondContact O-OG1 3.49Å |
| 753 | M | 60.7 | Low | 58.4 | Low | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.5 | -167.5 | 62.2 | 74.1 | 0 | 0 | 110.2 | W747 R755 T756 T757 C799 Q802 F803 F1045 F1046 | W747-M753 HydrophobicContact CZ3-CE 3.88Å; M753-R755 VanDerWaalsContact C-N 3.27Å; M753-R755 PolarHBondContact O-N 2.88Å; M753-T756 PolarHBondContact O-N 3.07Å; M753-T756 VanDerWaalsContact O-N 3.11Å; M753-T757 HydrophobicContact CG-CG2 3.96Å; M753-T757 PolarHBondContact O-N 3.34Å; M753-T757 PolarHBondContact O-OG1 2.97Å; M753-T757 HydrophobicContact SD-CG2 3.73Å; M753-C799 HydrophobicContact CE-CB 4.43Å; M753-C799 HydrophobicContact CG-CB 4.34Å; M753-Q802 HydrophobicContact CG-CB 4.48Å; M753-F803 HydrophobicContact SD-CE1 4.3Å; M753-F1045 HydrophobicContact CE-CB 4.06Å; M753-F1045 HydrophobicContact SD-CB 4.15Å; M753-F1045 HydrophobicContact SD-CD1 4.32Å; M753-F1045 HydrophobicContact SD-CG 4.35Å; M753-F1046 HydrophobicContact CE-CE1 3.66Å; M753-F1046 HydrophobicContact CE-CE2 3.9Å; M753-F1046 HydrophobicContact CE-CZ 3.22Å |
| 754 | T | 57.7 | Low | 60.4 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 39% | 0.387 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.4 | -35.1 | 175.9 | -49.1 | 0 | 0 | 0 | 0 | 113.4 | P750 M752 G758 | P750-T754 PolarHBondContact O-N 2.82Å; P750-T754 PolarHBondContact O-OG1 2.91Å; M752-T754 VanDerWaalsContact C-N 3.28Å; M752-T754 PolarHBondContact O-N 3.08Å; T754-G758 WeakPolarHBondContact O-CA 3.49Å; T754-G758 PolarHBondContact O-N 3.27Å |
| 755 | R | 60.6 | Low | 62.9 | Low | 203 Ų | 203 | 61.9 Ų | 61.9 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71.1 | -41.2 | 176.3 | -82.6 | -178.6 | 175.8 | 177.4 | -0.1 | 112.4 | R751 M752 M753 | R751-R755 WeakPolarHBondContact O-CG 3.19Å; R751-R755 PolarHBondContact O-N 3.34Å; M752-R755 PolarHBondContact O-N 3.48Å; M752-R755 VanDerWaalsContact O-N 3.1Å; M753-R755 VanDerWaalsContact C-N 3.27Å; M753-R755 PolarHBondContact O-N 2.88Å |
| 756 | T | 59 | Low | 65 | Low | 10 Ų | 10 | 57.5 Ų | 57.5 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.3 | -52.8 | -177.1 | -43.1 | 0 | 0 | 0 | 0 | 111 | H740 L742 M752 M753 S759 V1066 | H740-T756 HydrophobicContact CB-CG2 4.34Å; L742-T756 VanDerWaalsContact CD1-OG1 3.28Å; L742-T756 WeakPolarHBondContact CD1-OG1 3.28Å; L742-T756 WeakPolarHBondContact CD2-OG1 3.13Å; M752-T756 PolarHBondContact O-N 3.3Å; M752-T756 PolarHBondContact O-OG1 3.49Å; M753-T756 PolarHBondContact O-N 3.07Å; M753-T756 VanDerWaalsContact O-N 3.11Å; T756-S759 PolarHBondContact O-N 2.72Å; T756-S759 PolarHBondContact O-OG 3.02Å; T756-V1066 HydrophobicContact CG2-CG1 4.02Å; T756-V1066 HydrophobicContact CG2-CG2 3.63Å |
| 757 | T | 59.2 | Low | 67.1 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -35.8 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | M753 S759 L760 Q802 R805 F1045 | M753-T757 HydrophobicContact CG-CG2 3.96Å; M753-T757 PolarHBondContact O-N 3.34Å; M753-T757 PolarHBondContact O-OG1 2.97Å; M753-T757 HydrophobicContact SD-CG2 3.73Å; T757-S759 PolarHBondContact O-N 2.83Å; T757-S759 VanDerWaalsContact O-N 3.08Å; T757-L760 WeakPolarHBondContact O-CA 3.29Å; T757-L760 VanDerWaalsContact O-CB 3.28Å; T757-L760 WeakPolarHBondContact O-CB 3.18Å; T757-L760 PolarHBondContact O-N 3.37Å; T757-Q802 HydrophobicContact CG2-CB 4.04Å; T757-Q802 WeakPolarHBondContact OG1-CB 3.12Å; T757-Q802 VanDerWaalsContact OG1-CD 3.29Å; T757-Q802 VanDerWaalsContact OG1-CG 3.23Å; T757-Q802 WeakPolarHBondContact OG1-CG 3.27Å; T757-Q802 PolarHBondContact OG1-OE1 3.02Å; T757-R805 PolarHBondContact O-NH2 3.19Å; T757-F1045 HydrophobicContact CG2-CD1 4.03Å; T757-F1045 HydrophobicContact CG2-CE1 3.67Å; T757-F1045 HydrophobicContact CG2-CZ 4.08Å |
| 758 | G | 60.3 | Low | 69.1 | Low | 47 Ų | 47 | 50.7 Ų | 50.7 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T754 | T754-G758 WeakPolarHBondContact O-CA 3.49Å; T754-G758 PolarHBondContact O-N 3.27Å |
| 759 | S | 68.7 | Low | 71.6 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -17.9 | 169.7 | 75.8 | 0 | 0 | 0 | 0 | 114 | T756 T757 | T756-S759 PolarHBondContact O-N 2.72Å; T756-S759 PolarHBondContact O-OG 3.02Å; T757-S759 PolarHBondContact O-N 2.83Å; T757-S759 VanDerWaalsContact O-N 3.08Å |
| 760 | L | 75.8 | Confident | 73.7 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -84.4 | 136 | 177.6 | -60 | 173 | 0 | 0 | 0 | 109.7 | T757 I765 R805 V806 F1045 I1064 | T757-L760 WeakPolarHBondContact O-CA 3.29Å; T757-L760 VanDerWaalsContact O-CB 3.28Å; T757-L760 WeakPolarHBondContact O-CB 3.18Å; T757-L760 PolarHBondContact O-N 3.37Å; L760-I765 HydrophobicContact CD1-CD1 3.91Å; L760-R805 PolarHBondContact O-NH1 2.96Å; L760-V806 HydrophobicContact CB-CG1 4.06Å; L760-F1045 HydrophobicContact CD1-CE1 4.03Å; L760-F1045 HydrophobicContact CD1-CZ 4.19Å; L760-I1064 HydrophobicContact CD1-CD1 4.48Å; L760-I1064 HydrophobicContact CD2-CD1 3.88Å |
| 761 | P | 78.4 | Confident | 75.7 | Confident | 68 Ų | 68 | 44 Ų | 44 | 44% | 0.442 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -58.7 | 153.8 | 172.6 | -20.5 | 31.7 | 0 | 0 | 0 | 112 | S764 | P761-S764 WeakPolarHBondContact O-CB 3.28Å; P761-S764 PolarHBondContact O-OG 3.36Å |
| 762 | D | 82 | Confident | 77.5 | Confident | 100 Ų | 100 | 34.6 Ų | 34.6 | 54% | 0.535 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 147.3 | 167.4 | -62.7 | 5.3 | 0 | 0 | 0 | 109.3 | S764 R805 | D762-S764 VanDerWaalsContact C-N 3.28Å; D762-S764 PolarHBondContact O-N 3.43Å; D762-R805 WeakPolarHBondContact CA-O 3.21Å; D762-R805 HydrophobicContact CB-CG 4.36Å; D762-R805 WeakPolarHBondContact OD1-CD 3.04Å; D762-R805 WeakPolarHBondContact OD1-CG 3.28Å; D762-R805 IonicContact OD1-CZ 2.7Å; D762-R805 IonicContact OD1-NE 3.71Å; D762-R805 IonicContact OD1-NH1 2.78Å; D762-R805 PolarHBondContact OD1-NH1 3.35Å |
| 763 | D | 84.5 | Confident | 79 | Confident | 62 Ų | 62 | 33.9 Ų | 33.9 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 38.9 | 176.8 | -63.9 | -51.2 | 0 | 0 | 0 | 114.9 | R805 V806 L807 K808 P809 K879 | D763-R805 PolarHBondContact N-O 3.47Å; D763-R805 VanDerWaalsContact N-O 3.11Å; D763-V806 CarbonylContact C-O 3.57Å; D763-L807 VanDerWaalsContact OD1-O 3.11Å; D763-K808 VanDerWaalsContact C-CG 3.48Å; D763-K808 HydrophobicContact CB-CG 4.32Å; D763-K808 WeakPolarHBondContact O-CE 3.34Å; D763-K808 WeakPolarHBondContact O-CG 3.49Å; D763-K808 WeakPolarHBondContact OD1-CA 3.14Å; D763-P809 WeakPolarHBondContact OD1-CD 3.49Å; D763-K879 WeakPolarHBondContact OD1-CD 3.49Å; D763-K879 WeakPolarHBondContact OD1-CE 3.45Å; D763-K879 IonicContact OD1-NZ 2.92Å; D763-K879 PolarHBondContact OD1-NZ 3.2Å; D763-K879 IonicContact OD2-NZ 2.84Å |
| 764 | S | 86 | Confident | 80.2 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | trans | -99.4 | -24.6 | -176.3 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | P761 D762 V806 L1041 | P761-S764 WeakPolarHBondContact O-CB 3.28Å; P761-S764 PolarHBondContact O-OG 3.36Å; D762-S764 VanDerWaalsContact C-N 3.28Å; D762-S764 PolarHBondContact O-N 3.43Å; S764-V806 PolarHBondContact N-O 3.49Å; S764-L1041 WeakPolarHBondContact O-CD2 3.32Å | ||
| 765 | I | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.4 | -173.3 | -67.9 | 164.9 | 0 | 0 | 0 | 111.1 | L760 L767 I768 V806 L807 K808 L1041 A1043 F1045 | L760-I765 HydrophobicContact CD1-CD1 3.91Å; I765-L767 WeakPolarHBondContact CG2-O 3.49Å; I765-I768 HydrophobicContact CG2-CG1 3.67Å; I765-V806 HydrophobicContact CD1-CB 4.04Å; I765-V806 HydrophobicContact CD1-CG2 3.69Å; I765-V806 PolarHBondContact N-O 2.77Å; I765-L807 HydrophobicContact CG2-CD1 4.42Å; I765-K808 WeakPolarHBondContact O-CB 3.4Å; I765-K808 WeakPolarHBondContact O-CG 3.5Å; I765-K808 PolarHBondContact O-N 3.44Å; I765-L1041 HydrophobicContact CG1-CD2 4.02Å; I765-L1041 HydrophobicContact CG1-CG 4.43Å; I765-A1043 HydrophobicContact CD1-CB 3.55Å; I765-A1043 HydrophobicContact CG1-CB 4.15Å; I765-A1043 HydrophobicContact CG2-CB 3.89Å; I765-F1045 HydrophobicContact CD1-CE2 4.27Å; I765-F1045 HydrophobicContact CD1-CZ 3.63Å |
| 766 | D | 90.4 | Very high | 82.7 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -38.5 | 178.3 | -61.3 | -73.4 | 0 | 0 | 0 | 111.9 | K808 G811 S812 D1040 L1041 | D766-K808 WeakPolarHBondContact OD1-CD 3.33Å; D766-K808 WeakPolarHBondContact OD1-CE 3.22Å; D766-K808 IonicContact OD1-NZ 2.79Å; D766-K808 PolarHBondContact OD1-NZ 2.56Å; D766-K808 IonicContact OD2-NZ 2.71Å; D766-K808 PolarHBondContact OD2-NZ 3.46Å; D766-K808 VanDerWaalsContact OD2-NZ 3.09Å; D766-G811 CarbonylContact O-C 3.6Å; D766-G811 WeakPolarHBondContact O-CA 3.08Å; D766-S812 PolarHBondContact O-N 3.26Å; D766-S812 VanDerWaalsContact O-N 3.09Å; D766-D1040 HydrophobicContact CB-CB 3.76Å; D766-L1041 PolarHBondContact N-O 3.08Å; D766-L1041 VanDerWaalsContact N-O 3.08Å; D766-L1041 PolarHBondContact OD2-N 2.76Å |
| 767 | L | 94.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 128.2 | -177.2 | 173.1 | 62.7 | 0 | 0 | 0 | 110.7 | I765 V769 S812 Y814 I1032 L1041 V1042 A1043 | I765-L767 WeakPolarHBondContact CG2-O 3.49Å; L767-V769 HydrophobicContact CD1-CG2 3.89Å; L767-V769 HydrophobicContact CD2-CG2 3.94Å; L767-V769 HydrophobicContact CG-CG2 3.82Å; L767-S812 WeakPolarHBondContact CA-O 3.39Å; L767-S812 WeakPolarHBondContact CD1-O 3.46Å; L767-Y814 HydrophobicContact CD1-CD2 3.74Å; L767-Y814 HydrophobicContact CD1-CE2 3.85Å; L767-I1032 HydrophobicContact CD2-CB 4.33Å; L767-I1032 HydrophobicContact CD2-CG1 4.08Å; L767-L1041 PolarHBondContact N-O 2.84Å; L767-V1042 HydrophobicContact CB-CG2 4.31Å; L767-V1042 HydrophobicContact CD2-CG1 4.25Å; L767-V1042 HydrophobicContact CD2-CG2 4.18Å; L767-V1042 HydrophobicContact CG-CG1 4.29Å; L767-V1042 CarbonylContact O-C 3.55Å; L767-V1042 VanDerWaalsContact O-CA 3.26Å; L767-V1042 WeakPolarHBondContact O-CA 3.42Å; L767-A1043 PolarHBondContact O-N 3.2Å |
| 768 | I | 95.1 | Very high | 85 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.8 | 168.9 | -60.7 | 168.5 | 0 | 0 | 0 | 107.8 | I765 T770 F803 V806 L807 S812 L813 Y814 A1043 F1045 | I765-I768 HydrophobicContact CG2-CG1 3.67Å; I768-T770 HydrophobicContact CG2-CG2 4.05Å; I768-F803 HydrophobicContact CD1-CB 3.79Å; I768-F803 HydrophobicContact CD1-CD1 4.38Å; I768-F803 HydrophobicContact CD1-CG 4.11Å; I768-V806 HydrophobicContact CD1-CG2 4.17Å; I768-L807 HydrophobicContact CD1-CB 4.02Å; I768-L807 HydrophobicContact CD1-CD1 3.93Å; I768-L807 HydrophobicContact CD1-CG 4.49Å; I768-L807 HydrophobicContact CG1-CD1 3.91Å; I768-S812 PolarHBondContact N-O 2.85Å; I768-L813 HydrophobicContact CB-CD1 3.57Å; I768-L813 HydrophobicContact CD1-CD1 4.48Å; I768-L813 HydrophobicContact CG2-CD1 3.42Å; I768-L813 VanDerWaalsContact CG2-CD1 3.42Å; I768-L813 CarbonylContact O-C 3.38Å; I768-L813 WeakPolarHBondContact O-CA 3.43Å; I768-Y814 PolarHBondContact O-N 2.63Å; I768-A1043 WeakPolarHBondContact CA-O 3.22Å; I768-A1043 HydrophobicContact CG1-CB 4.39Å; I768-F1045 HydrophobicContact CD1-CE2 4.04Å; I768-F1045 HydrophobicContact CG1-CE2 4.12Å; I768-F1045 HydrophobicContact CG2-CD2 4.06Å; I768-F1045 HydrophobicContact CG2-CE2 4.11Å |
| 769 | V | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 109.9 | 171.7 | 176.7 | 0 | 0 | 0 | 0 | 106.4 | L767 Y814 F816 L1028 M1031 A1043 D1044 T1052 | L767-V769 HydrophobicContact CD1-CG2 3.89Å; L767-V769 HydrophobicContact CD2-CG2 3.94Å; L767-V769 HydrophobicContact CG-CG2 3.82Å; V769-Y814 HydrophobicContact CG2-CD2 3.96Å; V769-Y814 HydrophobicContact CG2-CG 4.42Å; V769-F816 HydrophobicContact CG1-CE2 4.11Å; V769-L1028 HydrophobicContact CG1-CD2 3.99Å; V769-M1031 HydrophobicContact CG1-SD 3.83Å; V769-M1031 HydrophobicContact CG2-CB 4.39Å; V769-A1043 PolarHBondContact N-O 3.4Å; V769-D1044 WeakPolarHBondContact O-CA 3.33Å; V769-D1044 VanDerWaalsContact O-CB 3.3Å; V769-D1044 WeakPolarHBondContact O-CB 3.45Å; V769-T1052 HydrophobicContact CB-CG2 3.79Å; V769-T1052 HydrophobicContact CG1-CG2 3.95Å |
| 770 | T | 92.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.6 | -169.1 | -154.4 | 0 | 0 | 0 | 0 | 114.3 | I768 P772 F803 Y814 L815 F816 D1044 F1045 F1046 | I768-T770 HydrophobicContact CG2-CG2 4.05Å; T770-P772 WeakPolarHBondContact O-CD 3.35Å; T770-F803 HydrophobicContact CG2-CE2 3.82Å; T770-F803 HydrophobicContact CG2-CZ 4.11Å; T770-Y814 PolarHBondContact N-O 3.45Å; T770-L815 HydrophobicContact CG2-CD1 3.7Å; T770-F816 WeakPolarHBondContact O-CD2 3.39Å; T770-F816 PolarHBondContact O-N 2.72Å; T770-F816 VanDerWaalsContact O-N 3.08Å; T770-D1044 WeakPolarHBondContact CA-OD1 3.38Å; T770-D1044 WeakPolarHBondContact CB-OD1 3.39Å; T770-D1044 PolarHBondContact OG1-OD1 2.77Å; T770-F1045 PolarHBondContact OG1-N 3.34Å; T770-F1045 VanDerWaalsContact OG1-N 3.12Å; T770-F1046 HydrophobicContact CG2-CD2 4.22Å; T770-F1046 VanDerWaalsContact OG1-CD2 3.26Å; T770-F1046 WeakPolarHBondContact OG1-CD2 3.35Å; T770-F1046 PolarHBondContact OG1-N 3.33Å |
| 771 | D | 91.3 | Very high | 86.9 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | trans | -117.5 | 80 | -175 | -170.8 | 34.3 | 0 | 0 | 0 | 111.2 | Y774 F816 K1023 F1046 | D771-Y774 PolarHBondContact OD1-OH 3.41Å; D771-Y774 PolarHBondContact OD2-OH 3.14Å; D771-F816 HydrophobicContact CB-CB 4.17Å; D771-F816 HydrophobicContact CB-CD2 4.12Å; D771-F816 HydrophobicContact CB-CG 4.31Å; D771-F816 WeakPolarHBondContact OD1-CB 3.47Å; D771-K1023 VanDerWaalsContact CG-CE 3.44Å; D771-K1023 IonicContact OD1-NZ 2.92Å; D771-K1023 WeakPolarHBondContact OD2-CE 3.4Å; D771-K1023 IonicContact OD2-NZ 2.78Å; D771-K1023 PolarHBondContact OD2-NZ 2.73Å; D771-F1046 VanDerWaalsContact O-CB 3.23Å; D771-F1046 WeakPolarHBondContact O-CB 3.22Å | ||
| 772 | P | 90.3 | Very high | 87 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | trans | -62.1 | 161 | 178.5 | 29.5 | -37 | 0 | 0 | 0 | 111.4 | T770 W795 L796 L815 F816 F1046 | T770-P772 WeakPolarHBondContact O-CD 3.35Å; P772-W795 HydrophobicContact CB-CH2 4.27Å; P772-W795 HydrophobicContact CB-CZ3 4.33Å; P772-L796 HydrophobicContact CB-CD1 4.17Å; P772-L796 HydrophobicContact CG-CD1 4.26Å; P772-L815 HydrophobicContact CG-CD1 3.86Å; P772-L815 HydrophobicContact CG-CG 4.38Å; P772-F816 WeakPolarHBondContact CD-O 3.39Å; P772-F1046 HydrophobicContact CB-CD2 3.82Å; P772-F1046 HydrophobicContact CB-CE2 3.72Å; P772-F1046 HydrophobicContact CB-CG 4.44Å; P772-F1046 HydrophobicContact CB-CZ 4.24Å | ||
| 773 | P | 87.7 | Confident | 87.1 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | trans | -50 | 143.5 | 166.3 | -26.7 | 37.4 | 0 | 0 | 0 | 111.3 | W782 D783 W786 Y792 W795 | P773-W782 HydrophobicContact CB-CE3 3.97Å; P773-W782 HydrophobicContact CB-CZ3 4.05Å; P773-W782 HydrophobicContact CG-CE3 4.06Å; P773-W782 HydrophobicContact CG-CZ3 4.41Å; P773-D783 WeakPolarHBondContact CA-OD1 3.4Å; P773-D783 WeakPolarHBondContact CB-OD1 3.5Å; P773-W786 HydrophobicContact CB-CH2 3.81Å; P773-W786 HydrophobicContact CB-CZ3 3.74Å; P773-W786 HydrophobicContact CG-CH2 3.98Å; P773-W786 HydrophobicContact CG-CZ3 4.36Å; P773-Y792 WeakPolarHBondContact O-CE2 3.32Å; P773-Y792 PolarHBondContact O-OH 3.44Å; P773-W795 HydrophobicContact CG-CH2 4.35Å | ||
| 774 | Y | 86.7 | Confident | 87.1 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | trans | -92.5 | -7.7 | -175 | -67 | -54.8 | 0 | 0 | 0 | 114.4 | D771 V777 D783 C817 K1023 | D771-Y774 PolarHBondContact OD1-OH 3.41Å; D771-Y774 PolarHBondContact OD2-OH 3.14Å; Y774-V777 HydrophobicContact CD2-CG1 4.44Å; Y774-V777 HydrophobicContact CG-CB 4.5Å; Y774-D783 PolarHBondContact N-OD1 2.94Å; Y774-C817 VanDerWaalsContact CE1-C 3.45Å; Y774-K1023 PolarHBondContact OH-NZ 3.34Å | ||
| 775 | F | 87.4 | Confident | 87 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 64.6 | 106.7 | -177.3 | 173.8 | -103.7 | 0 | 0 | 0 | 113.8 | V777 D783 W786 D789 Y792 L821 | F775-V777 PolarHBondContact O-N 3.07Å; F775-D783 WeakPolarHBondContact CA-O 3.4Å; F775-D783 PolarHBondContact N-OD1 3.32Å; F775-W786 HydrophobicContact CD2-CB 3.78Å; F775-W786 HydrophobicContact CD2-CE3 4.07Å; F775-W786 HydrophobicContact CE2-CB 3.65Å; F775-W786 WeakPolarHBondContact CE2-O 3.38Å; F775-D789 HydrophobicContact CE1-CB 4.4Å; F775-D789 WeakPolarHBondContact CE1-OD1 3.39Å; F775-D789 WeakPolarHBondContact CZ-OD1 3.22Å; F775-Y792 HydrophobicContact CB-CD1 3.96Å; F775-Y792 HydrophobicContact CB-CD2 3.71Å; F775-Y792 HydrophobicContact CB-CE1 4.25Å; F775-Y792 HydrophobicContact CB-CE2 3.98Å; F775-Y792 HydrophobicContact CB-CG 3.67Å; F775-Y792 HydrophobicContact CD2-CG 4.34Å; F775-Y792 HydrophobicContact CG-CD1 4.42Å; F775-Y792 HydrophobicContact CG-CD2 4.42Å; F775-Y792 HydrophobicContact CG-CG 4.03Å; F775-L821 HydrophobicContact CD1-CD1 3.86Å |
| 776 | K | 83.8 | Confident | 86.9 | Confident | 96 Ų | 96 | 34.4 Ų | 34.4 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 55.8 | 31.2 | 178.6 | -59.9 | -179 | -178.8 | 170 | 0 | 114.3 | D783 N784 K787 | K776-D783 PolarHBondContact N-O 3Å; K776-D783 PolarHBondContact N-OD2 3.01Å; K776-N784 WeakPolarHBondContact CA-OD1 3.46Å; K776-K787 PolarHBondContact NZ-O 3.42Å |
| 777 | V | 82.9 | Confident | 86.7 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 38% | 0.382 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -104.2 | -35.6 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | Y774 F775 D783 | Y774-V777 HydrophobicContact CD2-CG1 4.44Å; Y774-V777 HydrophobicContact CG-CB 4.5Å; F775-V777 PolarHBondContact O-N 3.07Å; V777-D783 WeakPolarHBondContact CA-OD2 3.47Å; V777-D783 PolarHBondContact N-OD2 3.32Å |
| 778 | K | 82.5 | Confident | 86.4 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.222 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -104.8 | 148.2 | 175.8 | -61 | -63.1 | 179 | 162.4 | 0 | 110 | N780 W782 D783 N784 P1020 C1021 | K778-N780 PolarHBondContact O-N 3.33Å; K778-W782 HydrophobicContact CB-CH2 4.07Å; K778-W782 HydrophobicContact CB-CZ2 4.38Å; K778-W782 HydrophobicContact CG-CH2 3.88Å; K778-W782 HydrophobicContact CG-CZ2 4.45Å; K778-D783 HydrophobicContact CB-CB 3.93Å; K778-D783 PolarHBondContact N-OD2 2.73Å; K778-N784 PolarHBondContact O-ND2 3.49Å; K778-P1020 HydrophobicContact CD-CB 4.37Å; K778-P1020 PolarHBondContact NZ-O 3.33Å; K778-C1021 WeakPolarHBondContact CE-SG 3.31Å |
| 779 | P | 81.8 | Confident | 86.1 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 78% | 0.779 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -74.3 | -2.6 | 179.2 | 31.9 | -36.3 | 0 | 0 | 0 | 113.5 | ||
| 780 | N | 82.6 | Confident | 85.8 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -75.2 | 146.6 | -175.9 | -62.5 | 75.7 | 0 | 0 | 0 | 112.2 | K778 W782 D783 N784 | K778-N780 PolarHBondContact O-N 3.33Å; N780-W782 HydrophobicContact CB-CD2 4.06Å; N780-W782 VanDerWaalsContact CB-CE2 3.49Å; N780-W782 HydrophobicContact CB-CG 4.14Å; N780-W782 HydrophobicContact CB-CZ2 3.97Å; N780-W782 VanDerWaalsContact CB-NE1 3.29Å; N780-W782 PolarHBondContact O-N 3.09Å; N780-D783 PolarHBondContact O-N 3.23Å; N780-N784 PolarHBondContact O-N 2.84Å; N780-N784 PolarHBondContact O-ND2 3.5Å |
| 781 | D | 81.4 | Confident | 85.6 | Confident | 139 Ų | 139 | 57.5 Ų | 57.5 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.7 | -178.1 | -67.4 | -21.3 | 0 | 0 | 0 | 113.6 | D783 N784 Q785 | D781-D783 PolarHBondContact O-N 2.98Å; D781-N784 PolarHBondContact O-N 3.13Å; D781-Q785 PolarHBondContact O-N 2.84Å |
| 782 | W | 80.5 | Confident | 85.6 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23 | 177.6 | 58 | -110 | 0 | 0 | 0 | 113.2 | P773 K778 N780 Q785 | P773-W782 HydrophobicContact CB-CE3 3.97Å; P773-W782 HydrophobicContact CB-CZ3 4.05Å; P773-W782 HydrophobicContact CG-CE3 4.06Å; P773-W782 HydrophobicContact CG-CZ3 4.41Å; K778-W782 HydrophobicContact CB-CH2 4.07Å; K778-W782 HydrophobicContact CB-CZ2 4.38Å; K778-W782 HydrophobicContact CG-CH2 3.88Å; K778-W782 HydrophobicContact CG-CZ2 4.45Å; N780-W782 HydrophobicContact CB-CD2 4.06Å; N780-W782 VanDerWaalsContact CB-CE2 3.49Å; N780-W782 HydrophobicContact CB-CG 4.14Å; N780-W782 HydrophobicContact CB-CZ2 3.97Å; N780-W782 VanDerWaalsContact CB-NE1 3.29Å; N780-W782 PolarHBondContact O-N 3.09Å; W782-Q785 PolarHBondContact O-NE2 3.2Å |
| 783 | D | 84 | Confident | 85.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -16.5 | 177.8 | -155.2 | 51 | 0 | 0 | 0 | 112.7 | P773 Y774 F775 K776 V777 K778 N780 D781 | P773-D783 WeakPolarHBondContact CA-OD1 3.4Å; P773-D783 WeakPolarHBondContact CB-OD1 3.5Å; Y774-D783 PolarHBondContact N-OD1 2.94Å; F775-D783 WeakPolarHBondContact CA-O 3.4Å; F775-D783 PolarHBondContact N-OD1 3.32Å; K776-D783 PolarHBondContact N-O 3Å; K776-D783 PolarHBondContact N-OD2 3.01Å; V777-D783 WeakPolarHBondContact CA-OD2 3.47Å; V777-D783 PolarHBondContact N-OD2 3.32Å; K778-D783 HydrophobicContact CB-CB 3.93Å; K778-D783 PolarHBondContact N-OD2 2.73Å; N780-D783 PolarHBondContact O-N 3.23Å; D781-D783 PolarHBondContact O-N 2.98Å |
| 784 | N | 83.7 | Confident | 85.6 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -109.2 | 19.1 | -175.4 | -65.5 | -75.7 | 0 | 0 | 0 | 113.1 | K776 K778 N780 D781 | K776-N784 WeakPolarHBondContact CA-OD1 3.46Å; K778-N784 PolarHBondContact O-ND2 3.49Å; N780-N784 PolarHBondContact O-N 2.84Å; N780-N784 PolarHBondContact O-ND2 3.5Å; D781-N784 PolarHBondContact O-N 3.13Å |
| 785 | Q | 83.3 | Confident | 85.8 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | trans | -79.2 | -19.5 | -173 | 67.1 | -170.9 | -45 | 0 | 0 | 115 | K746 V748 D781 W782 | K746-Q785 HydrophobicContact CD-CB 4.36Å; V748-Q785 HydrophobicContact CG2-CB 3.93Å; V748-Q785 HydrophobicContact CG2-CG 4.16Å; D781-Q785 PolarHBondContact O-N 2.84Å; W782-Q785 PolarHBondContact O-NE2 3.2Å | ||
| 786 | W | 87.9 | Confident | 85.9 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | trans | -96 | 147.7 | 177.5 | -56.4 | -89.5 | 0 | 0 | 0 | 110.8 | P773 F775 D791 Y792 W795 | P773-W786 HydrophobicContact CB-CH2 3.81Å; P773-W786 HydrophobicContact CB-CZ3 3.74Å; P773-W786 HydrophobicContact CG-CH2 3.98Å; P773-W786 HydrophobicContact CG-CZ3 4.36Å; F775-W786 HydrophobicContact CD2-CB 3.78Å; F775-W786 HydrophobicContact CD2-CE3 4.07Å; F775-W786 HydrophobicContact CE2-CB 3.65Å; F775-W786 WeakPolarHBondContact CE2-O 3.38Å; W786-D791 HydrophobicContact CB-CB 4.12Å; W786-D791 HydrophobicContact CG-CB 4.45Å; W786-Y792 AromaticContact CD2-CD2 3.82Å; W786-Y792 HydrophobicContact CD2-CD2 3.82Å; W786-Y792 HydrophobicContact CD2-CG 4.44Å; W786-Y792 AromaticContact CE3-CD2 3.64Å; W786-Y792 HydrophobicContact CE3-CD2 3.64Å; W786-Y792 HydrophobicContact CE3-CE2 4.44Å; W786-Y792 HydrophobicContact CE3-CG 4.46Å; W786-Y792 AromaticContact CH2-CD2 3.83Å; W786-Y792 HydrophobicContact CH2-CD2 3.83Å; W786-Y792 HydrophobicContact CH2-CE2 4.08Å; W786-Y792 HydrophobicContact CZ2-CD2 4.06Å; W786-Y792 AromaticContact CZ3-CD2 3.64Å; W786-Y792 HydrophobicContact CZ3-CD2 3.64Å; W786-Y792 HydrophobicContact CZ3-CE2 4.02Å; W786-W795 HydrophobicContact CH2-CD2 4.2Å; W786-W795 AromaticContact CH2-CE3 3.88Å; W786-W795 HydrophobicContact CH2-CE3 3.88Å; W786-W795 HydrophobicContact CH2-CH2 4.12Å; W786-W795 HydrophobicContact CH2-CZ2 4.38Å; W786-W795 AromaticContact CH2-CZ3 3.84Å; W786-W795 HydrophobicContact CH2-CZ3 3.84Å; W786-W795 HydrophobicContact CZ2-CB 4.42Å; W786-W795 AromaticContact CZ2-CD2 3.37Å; W786-W795 HydrophobicContact CZ2-CD2 3.37Å; W786-W795 AromaticContact CZ2-CE2 3.73Å; W786-W795 AromaticContact CZ2-CE3 3.42Å; W786-W795 HydrophobicContact CZ2-CE3 3.42Å; W786-W795 VanDerWaalsContact CZ2-CE3 3.42Å; W786-W795 AromaticContact CZ2-CG 3.81Å; W786-W795 HydrophobicContact CZ2-CG 3.81Å; W786-W795 HydrophobicContact CZ2-CH2 4.21Å; W786-W795 HydrophobicContact CZ2-CZ2 4.14Å; W786-W795 AromaticContact CZ2-CZ3 3.86Å; W786-W795 HydrophobicContact CZ2-CZ3 3.86Å; W786-W795 AromaticContact NE1-CG 3.81Å | ||
| 787 | K | 85.3 | Confident | 86.2 | Confident | 161 Ų | 161 | 60.9 Ų | 60.9 | 70% | 0.7 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -85.9 | -54.2 | -178.5 | -68.9 | -176.6 | 179.3 | -178.8 | 0 | 111.2 | K776 | K776-K787 PolarHBondContact NZ-O 3.42Š|
| 788 | E | 88.8 | Confident | 86.5 | Confident | 113 Ų | 113 | 62.2 Ų | 62.2 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -113.7 | 162.8 | -177.4 | -54.7 | -55 | 143.4 | 0 | 0 | 111.6 | E790 D791 | E788-E790 VanDerWaalsContact C-N 3.28Å; E788-E790 PolarHBondContact O-N 2.83Å; E788-D791 PolarHBondContact N-OD2 2.91Å; E788-D791 PolarHBondContact O-N 3.33Å |
| 789 | D | 88.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -37 | -179.3 | -62.7 | 24.1 | 0 | 0 | 0 | 110.2 | F775 D791 Y792 L793 R820 L821 | F775-D789 HydrophobicContact CE1-CB 4.4Å; F775-D789 WeakPolarHBondContact CE1-OD1 3.39Å; F775-D789 WeakPolarHBondContact CZ-OD1 3.22Å; D789-D791 VanDerWaalsContact C-N 3.34Å; D789-D791 PolarHBondContact O-N 2.86Å; D789-Y792 PolarHBondContact O-N 2.81Å; D789-L793 WeakPolarHBondContact O-CG 3.44Å; D789-L793 PolarHBondContact O-N 3.09Å; D789-R820 VanDerWaalsContact CG-NH2 3.32Å; D789-R820 IonicContact OD1-CZ 3.53Å; D789-R820 IonicContact OD1-NH2 2.66Å; D789-R820 PolarHBondContact OD1-NH2 2.91Å; D789-R820 IonicContact OD2-CZ 2.73Å; D789-R820 IonicContact OD2-NE 2.73Å; D789-R820 IonicContact OD2-NH2 2.57Å; D789-R820 PolarHBondContact OD2-NH2 2.84Å; D789-L821 HydrophobicContact CB-CD2 4.42Å |
| 790 | E | 89.3 | Confident | 87.2 | Confident | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.9 | -32.5 | 177.4 | -64.5 | 85.7 | 179.2 | 0 | 0 | 113.8 | E788 Y792 K794 | E788-E790 VanDerWaalsContact C-N 3.28Å; E788-E790 PolarHBondContact O-N 2.83Å; E790-Y792 VanDerWaalsContact C-N 3.35Å; E790-K794 WeakPolarHBondContact O-CB 3.21Å; E790-K794 VanDerWaalsContact O-CG 3.27Å; E790-K794 WeakPolarHBondContact O-CG 3.39Å; E790-K794 PolarHBondContact O-N 2.87Å |
| 791 | D | 88.4 | Confident | 87.4 | Confident | 71 Ų | 71 | 53 Ų | 53 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 179.3 | -69.2 | -33.7 | 0 | 0 | 0 | 110.7 | W786 E788 D789 W795 | W786-D791 HydrophobicContact CB-CB 4.12Å; W786-D791 HydrophobicContact CG-CB 4.45Å; E788-D791 PolarHBondContact N-OD2 2.91Å; E788-D791 PolarHBondContact O-N 3.33Å; D789-D791 VanDerWaalsContact C-N 3.34Å; D789-D791 PolarHBondContact O-N 2.86Å; D791-W795 PolarHBondContact O-N 2.84Å |
| 792 | Y | 90 | Very high | 87.8 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.8 | -46.6 | 176 | 169.8 | -102.4 | 0 | 0 | 0 | 111.5 | P773 F775 W786 D789 E790 K794 W795 L796 L821 I825 | P773-Y792 WeakPolarHBondContact O-CE2 3.32Å; P773-Y792 PolarHBondContact O-OH 3.44Å; F775-Y792 HydrophobicContact CB-CD1 3.96Å; F775-Y792 HydrophobicContact CB-CD2 3.71Å; F775-Y792 HydrophobicContact CB-CE1 4.25Å; F775-Y792 HydrophobicContact CB-CE2 3.98Å; F775-Y792 HydrophobicContact CB-CG 3.67Å; F775-Y792 HydrophobicContact CD2-CG 4.34Å; F775-Y792 HydrophobicContact CG-CD1 4.42Å; F775-Y792 HydrophobicContact CG-CD2 4.42Å; F775-Y792 HydrophobicContact CG-CG 4.03Å; W786-Y792 AromaticContact CD2-CD2 3.82Å; W786-Y792 HydrophobicContact CD2-CD2 3.82Å; W786-Y792 HydrophobicContact CD2-CG 4.44Å; W786-Y792 AromaticContact CE3-CD2 3.64Å; W786-Y792 HydrophobicContact CE3-CD2 3.64Å; W786-Y792 HydrophobicContact CE3-CE2 4.44Å; W786-Y792 HydrophobicContact CE3-CG 4.46Å; W786-Y792 AromaticContact CH2-CD2 3.83Å; W786-Y792 HydrophobicContact CH2-CD2 3.83Å; W786-Y792 HydrophobicContact CH2-CE2 4.08Å; W786-Y792 HydrophobicContact CZ2-CD2 4.06Å; W786-Y792 AromaticContact CZ3-CD2 3.64Å; W786-Y792 HydrophobicContact CZ3-CD2 3.64Å; W786-Y792 HydrophobicContact CZ3-CE2 4.02Å; D789-Y792 PolarHBondContact O-N 2.81Å; E790-Y792 VanDerWaalsContact C-N 3.35Å; Y792-K794 PolarHBondContact O-N 2.86Å; Y792-W795 HydrophobicContact CD2-CE3 4.06Å; Y792-W795 HydrophobicContact CD2-CZ3 4.31Å; Y792-W795 HydrophobicContact CE2-CE3 4.02Å; Y792-W795 AromaticContact CE2-CZ3 3.83Å; Y792-W795 HydrophobicContact CE2-CZ3 3.83Å; Y792-W795 WeakPolarHBondContact O-CB 3.47Å; Y792-W795 PolarHBondContact O-N 2.85Å; Y792-W795 VanDerWaalsContact O-N 3.17Å; Y792-L796 HydrophobicContact CE1-CD2 4.37Å; Y792-L796 PolarHBondContact O-N 3.44Å; Y792-L821 HydrophobicContact CD1-CD1 3.69Å; Y792-L821 HydrophobicContact CE1-CD1 3.96Å; Y792-I825 HydrophobicContact CE1-CD1 4.19Å |
| 793 | L | 90.7 | Very high | 88.3 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 179.9 | -71 | 176.4 | 0 | 0 | 0 | 112 | D789 W795 L796 D797 D824 I825 M828 | D789-L793 WeakPolarHBondContact O-CG 3.44Å; D789-L793 PolarHBondContact O-N 3.09Å; L793-W795 VanDerWaalsContact C-N 3.32Å; L793-W795 PolarHBondContact O-N 3.44Å; L793-L796 PolarHBondContact O-N 2.72Å; L793-D797 PolarHBondContact O-N 2.51Å; L793-D824 HydrophobicContact CD1-CB 4.09Å; L793-D824 HydrophobicContact CD2-CB 4.14Å; L793-I825 HydrophobicContact CD2-CG1 4.01Å; L793-M828 HydrophobicContact CB-CE 3.47Å; L793-M828 VanDerWaalsContact CB-CE 3.47Å; L793-M828 HydrophobicContact CD2-CE 3.47Å; L793-M828 VanDerWaalsContact CD2-CE 3.47Å; L793-M828 HydrophobicContact CG-CE 3.98Å; L793-M828 VanDerWaalsContact O-CE 3.22Å; L793-M828 WeakPolarHBondContact O-CE 3.37Å |
| 794 | K | 88.7 | Confident | 88.6 | Confident | 134 Ų | 134 | 49.8 Ų | 49.8 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.9 | -41.7 | 173.9 | -77.7 | 171.9 | -176.3 | 167.1 | 0 | 112.1 | E790 Y792 H798 | E790-K794 WeakPolarHBondContact O-CB 3.21Å; E790-K794 VanDerWaalsContact O-CG 3.27Å; E790-K794 WeakPolarHBondContact O-CG 3.39Å; E790-K794 PolarHBondContact O-N 2.87Å; Y792-K794 PolarHBondContact O-N 2.86Å; K794-H798 PolarHBondContact O-N 3.46Å; K794-H798 PolarHBondContact O-ND1 3.16Å |
| 795 | W | 89.6 | Confident | 88.8 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 177.2 | 167.2 | 86.3 | 0 | 0 | 0 | 111.9 | W747 P772 P773 W786 D791 Y792 L793 H798 C799 F1046 | W747-W795 HydrophobicContact CB-CZ2 4.06Å; W747-W795 HydrophobicContact CD2-CZ2 4.44Å; W747-W795 HydrophobicContact CE3-CZ2 4.25Å; W747-W795 HydrophobicContact CG-CZ2 4.42Å; W747-W795 PolarHBondContact O-NE1 2.64Å; P772-W795 HydrophobicContact CB-CH2 4.27Å; P772-W795 HydrophobicContact CB-CZ3 4.33Å; P773-W795 HydrophobicContact CG-CH2 4.35Å; W786-W795 HydrophobicContact CH2-CD2 4.2Å; W786-W795 AromaticContact CH2-CE3 3.88Å; W786-W795 HydrophobicContact CH2-CE3 3.88Å; W786-W795 HydrophobicContact CH2-CH2 4.12Å; W786-W795 HydrophobicContact CH2-CZ2 4.38Å; W786-W795 AromaticContact CH2-CZ3 3.84Å; W786-W795 HydrophobicContact CH2-CZ3 3.84Å; W786-W795 HydrophobicContact CZ2-CB 4.42Å; W786-W795 AromaticContact CZ2-CD2 3.37Å; W786-W795 HydrophobicContact CZ2-CD2 3.37Å; W786-W795 AromaticContact CZ2-CE2 3.73Å; W786-W795 AromaticContact CZ2-CE3 3.42Å; W786-W795 HydrophobicContact CZ2-CE3 3.42Å; W786-W795 VanDerWaalsContact CZ2-CE3 3.42Å; W786-W795 AromaticContact CZ2-CG 3.81Å; W786-W795 HydrophobicContact CZ2-CG 3.81Å; W786-W795 HydrophobicContact CZ2-CH2 4.21Å; W786-W795 HydrophobicContact CZ2-CZ2 4.14Å; W786-W795 AromaticContact CZ2-CZ3 3.86Å; W786-W795 HydrophobicContact CZ2-CZ3 3.86Å; W786-W795 AromaticContact NE1-CG 3.81Å; D791-W795 PolarHBondContact O-N 2.84Å; Y792-W795 HydrophobicContact CD2-CE3 4.06Å; Y792-W795 HydrophobicContact CD2-CZ3 4.31Å; Y792-W795 HydrophobicContact CE2-CE3 4.02Å; Y792-W795 AromaticContact CE2-CZ3 3.83Å; Y792-W795 HydrophobicContact CE2-CZ3 3.83Å; Y792-W795 WeakPolarHBondContact O-CB 3.47Å; Y792-W795 PolarHBondContact O-N 2.85Å; Y792-W795 VanDerWaalsContact O-N 3.17Å; L793-W795 VanDerWaalsContact C-N 3.32Å; L793-W795 PolarHBondContact O-N 3.44Å; W795-H798 PolarHBondContact O-N 3.01Å; W795-C799 PolarHBondContact O-N 3.21Å; W795-C799 PolarHBondContact O-SG 2.95Å; W795-C799 VanDerWaalsContact O-SG 3.4Å; W795-F1046 AromaticContact CH2-CE1 3.61Å; W795-F1046 HydrophobicContact CH2-CE1 3.61Å; W795-F1046 HydrophobicContact CH2-CE2 4.33Å; W795-F1046 AromaticContact CH2-CZ 3.39Å; W795-F1046 HydrophobicContact CH2-CZ 3.39Å; W795-F1046 AromaticContact CZ2-CE1 3.65Å; W795-F1046 HydrophobicContact CZ2-CE1 3.65Å; W795-F1046 AromaticContact CZ2-CZ 3.61Å; W795-F1046 HydrophobicContact CZ2-CZ 3.61Å |
| 796 | L | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -38.2 | 179.4 | -171.6 | 63.1 | 0 | 0 | 0 | 111.9 | P772 Y792 L793 H798 C799 L800 I825 M828 | P772-L796 HydrophobicContact CB-CD1 4.17Å; P772-L796 HydrophobicContact CG-CD1 4.26Å; Y792-L796 HydrophobicContact CE1-CD2 4.37Å; Y792-L796 PolarHBondContact O-N 3.44Å; L793-L796 PolarHBondContact O-N 2.72Å; L796-H798 VanDerWaalsContact C-N 3.3Å; L796-H798 PolarHBondContact O-N 2.74Å; L796-C799 WeakPolarHBondContact O-CA 3.49Å; L796-C799 WeakPolarHBondContact O-CB 3.41Å; L796-C799 PolarHBondContact O-N 3.26Å; L796-L800 WeakPolarHBondContact O-CG 3.15Å; L796-L800 PolarHBondContact O-N 3.41Å; L796-I825 HydrophobicContact CD2-CB 4.4Å; L796-I825 HydrophobicContact CD2-CD1 4Å; L796-I825 HydrophobicContact CD2-CG1 3.78Å; L796-I825 HydrophobicContact CD2-CG2 3.77Å; L796-M828 HydrophobicContact CB-SD 4.5Å |
| 797 | D | 90.2 | Very high | 89.2 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -40.2 | 174.7 | -179 | 41.7 | 0 | 0 | 0 | 112 | L793 C799 L800 A801 M828 R832 | L793-D797 PolarHBondContact O-N 2.51Å; D797-C799 VanDerWaalsContact C-N 3.28Å; D797-C799 PolarHBondContact O-N 2.91Å; D797-L800 PolarHBondContact O-N 3.38Å; D797-A801 PolarHBondContact O-N 2.83Å; D797-M828 HydrophobicContact CB-CG 4.17Å; D797-M828 HydrophobicContact CB-SD 3.63Å; D797-R832 IonicContact OD1-CZ 3.37Å; D797-R832 IonicContact OD1-NE 3.29Å; D797-R832 PolarHBondContact OD1-NE 2.73Å; D797-R832 IonicContact OD1-NH2 3.44Å; D797-R832 PolarHBondContact OD1-NH2 2.78Å; D797-R832 IonicContact OD2-NH2 3.63Å; D797-R832 PolarHBondContact OD2-NH2 2.93Å |
| 798 | H | 88.1 | Confident | 89.3 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -36.3 | 174.4 | -74.6 | 79.8 | 0 | 0 | 0 | 112.1 | P750 K794 W795 L796 Q802 | P750-H798 HydrophobicContact CB-CB 4.02Å; K794-H798 PolarHBondContact O-N 3.46Å; K794-H798 PolarHBondContact O-ND1 3.16Å; W795-H798 PolarHBondContact O-N 3.01Å; L796-H798 VanDerWaalsContact C-N 3.3Å; L796-H798 PolarHBondContact O-N 2.74Å; H798-Q802 PolarHBondContact O-N 3.45Å |
| 799 | C | 88.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 173.9 | -60.8 | 0 | 0 | 0 | 0 | 111 | M753 W795 L796 D797 A801 Q802 F803 | M753-C799 HydrophobicContact CE-CB 4.43Å; M753-C799 HydrophobicContact CG-CB 4.34Å; W795-C799 PolarHBondContact O-N 3.21Å; W795-C799 PolarHBondContact O-SG 2.95Å; W795-C799 VanDerWaalsContact O-SG 3.4Å; L796-C799 WeakPolarHBondContact O-CA 3.49Å; L796-C799 WeakPolarHBondContact O-CB 3.41Å; L796-C799 PolarHBondContact O-N 3.26Å; D797-C799 VanDerWaalsContact C-N 3.28Å; D797-C799 PolarHBondContact O-N 2.91Å; C799-A801 VanDerWaalsContact C-N 3.31Å; C799-A801 PolarHBondContact O-N 2.88Å; C799-Q802 WeakPolarHBondContact O-CB 3.43Å; C799-Q802 PolarHBondContact O-N 2.78Å; C799-F803 HydrophobicContact CB-CE1 4.5Å; C799-F803 HydrophobicContact CB-CE2 4.39Å; C799-F803 HydrophobicContact CB-CZ 4.12Å; C799-F803 VanDerWaalsContact O-CD1 3.29Å; C799-F803 WeakPolarHBondContact O-CD1 3.39Å; C799-F803 VanDerWaalsContact O-CG 3.27Å; C799-F803 WeakPolarHBondContact O-CG 3.42Å; C799-F803 PolarHBondContact O-N 3.42Å |
| 800 | L | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -37.9 | 176.5 | -70.7 | 173.8 | 0 | 0 | 0 | 112.3 | L796 D797 Q802 F803 W804 L813 L815 M828 M829 F833 | L796-L800 WeakPolarHBondContact O-CG 3.15Å; L796-L800 PolarHBondContact O-N 3.41Å; D797-L800 PolarHBondContact O-N 3.38Å; L800-Q802 VanDerWaalsContact C-N 3.31Å; L800-Q802 PolarHBondContact O-N 2.94Å; L800-F803 HydrophobicContact CD2-CD2 4.19Å; L800-F803 PolarHBondContact O-N 3.31Å; L800-W804 WeakPolarHBondContact O-CB 3.48Å; L800-W804 PolarHBondContact O-N 3.23Å; L800-L813 HydrophobicContact CD2-CD2 4.35Å; L800-L815 HydrophobicContact CD2-CD2 4.29Å; L800-M828 HydrophobicContact CD1-CG 4.18Å; L800-M828 HydrophobicContact CD1-SD 3.82Å; L800-M829 HydrophobicContact CD1-CB 4.35Å; L800-M829 HydrophobicContact CD2-CG 4.42Å; L800-F833 HydrophobicContact CB-CE2 4.46Å; L800-F833 HydrophobicContact CD2-CE2 4.2Å |
| 801 | A | 88 | Confident | 88.3 | Confident | 28 Ų | 28 | 32.7 Ų | 32.7 | 23% | 0.231 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D797 C799 R805 | D797-A801 PolarHBondContact O-N 2.83Å; C799-A801 VanDerWaalsContact C-N 3.31Å; C799-A801 PolarHBondContact O-N 2.88Å; A801-R805 PolarHBondContact O-N 3.03Å |
| 802 | Q | 88.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 29.6 Ų | 29.6 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.1 | -40 | 174.6 | -69.7 | -58.7 | -45.3 | 0 | 0 | 112.3 | M753 T757 H798 C799 L800 W804 R805 V806 | M753-Q802 HydrophobicContact CG-CB 4.48Å; T757-Q802 HydrophobicContact CG2-CB 4.04Å; T757-Q802 WeakPolarHBondContact OG1-CB 3.12Å; T757-Q802 VanDerWaalsContact OG1-CD 3.29Å; T757-Q802 VanDerWaalsContact OG1-CG 3.23Å; T757-Q802 WeakPolarHBondContact OG1-CG 3.27Å; T757-Q802 PolarHBondContact OG1-OE1 3.02Å; H798-Q802 PolarHBondContact O-N 3.45Å; C799-Q802 WeakPolarHBondContact O-CB 3.43Å; C799-Q802 PolarHBondContact O-N 2.78Å; L800-Q802 VanDerWaalsContact C-N 3.31Å; L800-Q802 PolarHBondContact O-N 2.94Å; Q802-W804 VanDerWaalsContact C-N 3.28Å; Q802-W804 PolarHBondContact O-N 3.05Å; Q802-R805 WeakPolarHBondContact O-CB 3.07Å; Q802-R805 PolarHBondContact O-N 2.88Å; Q802-V806 WeakPolarHBondContact O-CG2 3.48Å; Q802-V806 PolarHBondContact O-N 3.03Å; Q802-V806 VanDerWaalsContact O-N 3.08Å |
| 803 | F | 91.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 175.3 | -61.5 | -9.9 | 0 | 0 | 0 | 110.7 | M753 I768 T770 C799 L800 R805 V806 L807 L813 L815 F833 F1045 F1046 | M753-F803 HydrophobicContact SD-CE1 4.3Å; I768-F803 HydrophobicContact CD1-CB 3.79Å; I768-F803 HydrophobicContact CD1-CD1 4.38Å; I768-F803 HydrophobicContact CD1-CG 4.11Å; T770-F803 HydrophobicContact CG2-CE2 3.82Å; T770-F803 HydrophobicContact CG2-CZ 4.11Å; C799-F803 HydrophobicContact CB-CE1 4.5Å; C799-F803 HydrophobicContact CB-CE2 4.39Å; C799-F803 HydrophobicContact CB-CZ 4.12Å; C799-F803 VanDerWaalsContact O-CD1 3.29Å; C799-F803 WeakPolarHBondContact O-CD1 3.39Å; C799-F803 VanDerWaalsContact O-CG 3.27Å; C799-F803 WeakPolarHBondContact O-CG 3.42Å; C799-F803 PolarHBondContact O-N 3.42Å; L800-F803 HydrophobicContact CD2-CD2 4.19Å; L800-F803 PolarHBondContact O-N 3.31Å; F803-R805 VanDerWaalsContact C-N 3.29Å; F803-R805 PolarHBondContact O-N 3.5Å; F803-V806 PolarHBondContact O-N 3.19Å; F803-L807 WeakPolarHBondContact O-CB 3.42Å; F803-L807 PolarHBondContact O-N 3.04Å; F803-L813 HydrophobicContact CD2-CD1 4.23Å; F803-L813 HydrophobicContact CD2-CD2 4.49Å; F803-L815 HydrophobicContact CE2-CD1 4.41Å; F803-F833 HydrophobicContact CB-CZ 4.16Å; F803-F1045 AromaticContact CD1-CD2 3.65Å; F803-F1045 HydrophobicContact CD1-CD2 3.65Å; F803-F1045 AromaticContact CD1-CE2 3.65Å; F803-F1045 HydrophobicContact CD1-CE2 3.65Å; F803-F1045 HydrophobicContact CD1-CG 4.47Å; F803-F1045 HydrophobicContact CE1-CB 3.97Å; F803-F1045 AromaticContact CE1-CD2 3.09Å; F803-F1045 HydrophobicContact CE1-CD2 3.09Å; F803-F1045 AromaticContact CE1-CE2 3.61Å; F803-F1045 HydrophobicContact CE1-CE2 3.61Å; F803-F1045 AromaticContact CE1-CG 3.61Å; F803-F1045 HydrophobicContact CE1-CG 3.61Å; F803-F1045 HydrophobicContact CE1-CZ 4.49Å; F803-F1045 HydrophobicContact CZ-CB 4.06Å; F803-F1045 AromaticContact CZ-CD2 3.67Å; F803-F1045 HydrophobicContact CZ-CD2 3.67Å; F803-F1045 HydrophobicContact CZ-CE2 4.49Å; F803-F1045 HydrophobicContact CZ-CG 4.15Å; F803-F1046 HydrophobicContact CZ-CE2 4.09Å |
| 804 | W | 89.9 | Confident | 89 | Confident | 74 Ų | 74 | 28.3 Ų | 28.3 | 28% | 0.28 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.1 | -174.8 | 92.5 | 0 | 0 | 0 | 111.6 | L800 Q802 R832 F833 H871 K879 | L800-W804 WeakPolarHBondContact O-CB 3.48Å; L800-W804 PolarHBondContact O-N 3.23Å; Q802-W804 VanDerWaalsContact C-N 3.28Å; Q802-W804 PolarHBondContact O-N 3.05Å; W804-R832 VanDerWaalsContact CD1-O 3.26Å; W804-R832 PolarHBondContact NE1-O 3.43Å; W804-F833 VanDerWaalsContact CA-CZ 3.45Å; W804-F833 HydrophobicContact CB-CE1 4.27Å; W804-F833 HydrophobicContact CB-CE2 4.15Å; W804-F833 HydrophobicContact CB-CZ 3.69Å; W804-F833 HydrophobicContact CG-CZ 4.38Å; W804-H871 AromaticContact CD1-CE1 3.38Å; W804-H871 AromaticContact CD1-ND1 3.44Å; W804-H871 AromaticContact CD2-CE1 3.98Å; W804-H871 AromaticContact CE2-CE1 3.82Å; W804-H871 AromaticContact CE2-ND1 3.89Å; W804-H871 AromaticContact CG-CE1 3.72Å; W804-H871 AromaticContact NE1-CE1 3.44Å; W804-H871 PolarHBondContact NE1-CE1 3.48Å; W804-H871 AromaticContact NE1-ND1 3.22Å; W804-H871 PolarHBondContact NE1-ND1 2.9Å; W804-H871 PolarHBondContact O-CE1 3.23Å; W804-H871 PolarHBondContact O-NE2 3.18Å; W804-K879 HydrophobicContact CH2-CG 4.39Å; W804-K879 HydrophobicContact CZ2-CG 4.33Å; W804-K879 PolarHBondContact O-NZ 3.34Å |
| 805 | R | 89 | Confident | 89.3 | Confident | 45 Ų | 45 | 21.9 Ų | 21.9 | 17% | 0.17 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.3 | -48.8 | 178.4 | -173 | -176.5 | 62.5 | 75.5 | 4.2 | 112.4 | T757 L760 D762 D763 A801 Q802 F803 K879 | T757-R805 PolarHBondContact O-NH2 3.19Å; L760-R805 PolarHBondContact O-NH1 2.96Å; D762-R805 WeakPolarHBondContact CA-O 3.21Å; D762-R805 HydrophobicContact CB-CG 4.36Å; D762-R805 WeakPolarHBondContact OD1-CD 3.04Å; D762-R805 WeakPolarHBondContact OD1-CG 3.28Å; D762-R805 IonicContact OD1-CZ 2.7Å; D762-R805 IonicContact OD1-NE 3.71Å; D762-R805 IonicContact OD1-NH1 2.78Å; D762-R805 PolarHBondContact OD1-NH1 3.35Å; D763-R805 PolarHBondContact N-O 3.47Å; D763-R805 VanDerWaalsContact N-O 3.11Å; A801-R805 PolarHBondContact O-N 3.03Å; Q802-R805 WeakPolarHBondContact O-CB 3.07Å; Q802-R805 PolarHBondContact O-N 2.88Å; F803-R805 VanDerWaalsContact C-N 3.29Å; F803-R805 PolarHBondContact O-N 3.5Å; R805-K879 PolarHBondContact O-NZ 3.41Å |
| 806 | V | 88.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -83.1 | -25 | -173 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | L760 D763 S764 I765 I768 Q802 F803 F1045 | L760-V806 HydrophobicContact CB-CG1 4.06Å; D763-V806 CarbonylContact C-O 3.57Å; S764-V806 PolarHBondContact N-O 3.49Å; I765-V806 HydrophobicContact CD1-CB 4.04Å; I765-V806 HydrophobicContact CD1-CG2 3.69Å; I765-V806 PolarHBondContact N-O 2.77Å; I768-V806 HydrophobicContact CD1-CG2 4.17Å; Q802-V806 WeakPolarHBondContact O-CG2 3.48Å; Q802-V806 PolarHBondContact O-N 3.03Å; Q802-V806 VanDerWaalsContact O-N 3.08Å; F803-V806 PolarHBondContact O-N 3.19Å; V806-F1045 HydrophobicContact CG2-CZ 4.21Å |
| 807 | L | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 127.3 | 178.2 | -171.1 | 73.6 | 0 | 0 | 0 | 110.1 | D763 I765 I768 F803 S812 L813 F833 H871 K879 | D763-L807 VanDerWaalsContact OD1-O 3.11Å; I765-L807 HydrophobicContact CG2-CD1 4.42Å; I768-L807 HydrophobicContact CD1-CB 4.02Å; I768-L807 HydrophobicContact CD1-CD1 3.93Å; I768-L807 HydrophobicContact CD1-CG 4.49Å; I768-L807 HydrophobicContact CG1-CD1 3.91Å; F803-L807 WeakPolarHBondContact O-CB 3.42Å; F803-L807 PolarHBondContact O-N 3.04Å; L807-S812 WeakPolarHBondContact CD1-O 3.29Å; L807-L813 HydrophobicContact CD2-CB 4.21Å; L807-F833 HydrophobicContact CD2-CE1 3.92Å; L807-H871 PolarHBondContact O-NE2 2.9Å; L807-K879 PolarHBondContact O-NZ 3.1Å |
| 808 | K | 87.1 | Confident | 89.1 | Confident | 55 Ų | 55 | 20.4 Ų | 20.4 | 24% | 0.239 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 156.8 | 174.7 | -77.4 | 174.3 | -172.9 | 176 | 0 | 111.9 | D763 I765 D766 S810 G811 H871 | D763-K808 VanDerWaalsContact C-CG 3.48Å; D763-K808 HydrophobicContact CB-CG 4.32Å; D763-K808 WeakPolarHBondContact O-CE 3.34Å; D763-K808 WeakPolarHBondContact O-CG 3.49Å; D763-K808 WeakPolarHBondContact OD1-CA 3.14Å; I765-K808 WeakPolarHBondContact O-CB 3.4Å; I765-K808 WeakPolarHBondContact O-CG 3.5Å; I765-K808 PolarHBondContact O-N 3.44Å; D766-K808 WeakPolarHBondContact OD1-CD 3.33Å; D766-K808 WeakPolarHBondContact OD1-CE 3.22Å; D766-K808 IonicContact OD1-NZ 2.79Å; D766-K808 PolarHBondContact OD1-NZ 2.56Å; D766-K808 IonicContact OD2-NZ 2.71Å; D766-K808 PolarHBondContact OD2-NZ 3.46Å; D766-K808 VanDerWaalsContact OD2-NZ 3.09Å; K808-S810 PolarHBondContact O-N 3.24Å; K808-G811 WeakPolarHBondContact O-CA 3.28Å; K808-G811 PolarHBondContact O-N 2.96Å; K808-H871 PolarHBondContact O-CD2 2.79Å; K808-H871 VanDerWaalsContact O-CD2 3.22Å |
| 809 | P | 80.6 | Confident | 88.7 | Confident | 36 Ų | 36 | 20.9 Ų | 20.9 | 23% | 0.234 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -31.8 | 176.1 | -19.3 | 31.6 | 0 | 0 | 0 | 112.7 | D763 G811 K879 R993 | D763-P809 WeakPolarHBondContact OD1-CD 3.49Å; P809-G811 VanDerWaalsContact C-N 3.34Å; P809-K879 HydrophobicContact CB-CB 3.85Å; P809-K879 HydrophobicContact CG-CB 3.87Å; P809-K879 HydrophobicContact CG-CD 4.21Å; P809-R993 PolarHBondContact O-NE 2.94Å; P809-R993 PolarHBondContact O-NH2 3.1Å |
| 810 | S | 78.9 | Confident | 88.5 | Confident | 46 Ų | 46 | 27 Ų | 27 | 32% | 0.322 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 6.4 | 174.8 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | K808 R993 | K808-S810 PolarHBondContact O-N 3.24Å; S810-R993 WeakPolarHBondContact O-CG 3.44Å |
| 811 | G | 87 | Confident | 88.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 159.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | D766 K808 P809 | D766-G811 CarbonylContact O-C 3.6Å; D766-G811 WeakPolarHBondContact O-CA 3.08Å; K808-G811 WeakPolarHBondContact O-CA 3.28Å; K808-G811 PolarHBondContact O-N 2.96Å; P809-G811 VanDerWaalsContact C-N 3.34Å |
| 812 | S | 92.8 | Very high | 88.4 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.5 | 179.7 | -80.2 | 0 | 0 | 0 | 0 | 111.4 | D766 L767 I768 L807 | D766-S812 PolarHBondContact O-N 3.26Å; D766-S812 VanDerWaalsContact O-N 3.09Å; L767-S812 WeakPolarHBondContact CA-O 3.39Å; L767-S812 WeakPolarHBondContact CD1-O 3.46Å; I768-S812 PolarHBondContact N-O 2.85Å; L807-S812 WeakPolarHBondContact CD1-O 3.29Å |
| 813 | L | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.8 | 178.2 | 171.6 | 60.1 | 0 | 0 | 0 | 110.4 | I768 L800 F803 L807 M829 F833 F868 A869 | I768-L813 HydrophobicContact CB-CD1 3.57Å; I768-L813 HydrophobicContact CD1-CD1 4.48Å; I768-L813 HydrophobicContact CG2-CD1 3.42Å; I768-L813 VanDerWaalsContact CG2-CD1 3.42Å; I768-L813 CarbonylContact O-C 3.38Å; I768-L813 WeakPolarHBondContact O-CA 3.43Å; L800-L813 HydrophobicContact CD2-CD2 4.35Å; F803-L813 HydrophobicContact CD2-CD1 4.23Å; F803-L813 HydrophobicContact CD2-CD2 4.49Å; L807-L813 HydrophobicContact CD2-CB 4.21Å; L813-M829 HydrophobicContact CB-CE 4.44Å; L813-M829 HydrophobicContact CD2-CE 3.37Å; L813-M829 HydrophobicContact CG-CE 3.68Å; L813-F833 HydrophobicContact CD2-CD1 4.38Å; L813-F833 HydrophobicContact CD2-CD2 4.04Å; L813-F833 HydrophobicContact CD2-CE1 4.08Å; L813-F833 HydrophobicContact CD2-CE2 3.7Å; L813-F833 HydrophobicContact CD2-CG 4.35Å; L813-F833 HydrophobicContact CD2-CZ 3.69Å; L813-F868 CarbonylContact O-C 3.56Å; L813-F868 WeakPolarHBondContact O-CA 3.44Å; L813-A869 PolarHBondContact N-O 2.87Å; L813-A869 PolarHBondContact O-N 3.22Å |
| 814 | Y | 95.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.3 | 166.7 | -66.2 | -96.7 | 0 | 0 | 0 | 109.4 | L767 I768 V769 T770 I839 I866 L867 F868 M1031 S1035 | L767-Y814 HydrophobicContact CD1-CD2 3.74Å; L767-Y814 HydrophobicContact CD1-CE2 3.85Å; I768-Y814 PolarHBondContact O-N 2.63Å; V769-Y814 HydrophobicContact CG2-CD2 3.96Å; V769-Y814 HydrophobicContact CG2-CG 4.42Å; T770-Y814 PolarHBondContact N-O 3.45Å; Y814-I839 HydrophobicContact CD1-CD1 4.31Å; Y814-I839 HydrophobicContact CE1-CD1 3.91Å; Y814-I866 HydrophobicContact CD1-CG2 4.18Å; Y814-L867 WeakPolarHBondContact CA-O 3.22Å; Y814-F868 HydrophobicContact CD1-CB 3.98Å; Y814-F868 AromaticContact CD1-CD2 3.88Å; Y814-F868 HydrophobicContact CD1-CD2 3.88Å; Y814-F868 HydrophobicContact CD1-CG 4.15Å; Y814-F868 AromaticContact CD2-CD2 4Å; Y814-F868 HydrophobicContact CD2-CD2 4Å; Y814-F868 HydrophobicContact CD2-CE2 4.33Å; Y814-F868 HydrophobicContact CE1-CB 3.85Å; Y814-F868 HydrophobicContact CE1-CD1 4.38Å; Y814-F868 AromaticContact CE1-CD2 3.49Å; Y814-F868 HydrophobicContact CE1-CD2 3.49Å; Y814-F868 VanDerWaalsContact CE1-CD2 3.49Å; Y814-F868 HydrophobicContact CE1-CE2 4.14Å; Y814-F868 AromaticContact CE1-CG 3.64Å; Y814-F868 HydrophobicContact CE1-CG 3.64Å; Y814-F868 AromaticContact CE2-CD2 3.61Å; Y814-F868 HydrophobicContact CE2-CD2 3.61Å; Y814-F868 AromaticContact CE2-CE2 3.62Å; Y814-F868 HydrophobicContact CE2-CE2 3.62Å; Y814-F868 HydrophobicContact CG-CD2 4.13Å; Y814-F868 AromaticContact CZ-CD2 3.34Å; Y814-F868 AromaticContact CZ-CE2 3.51Å; Y814-F868 AromaticContact CZ-CG 3.88Å; Y814-M1031 HydrophobicContact CD1-CE 4.05Å; Y814-M1031 HydrophobicContact CD1-CG 4.09Å; Y814-M1031 HydrophobicContact CD1-SD 4.15Å; Y814-M1031 HydrophobicContact CD2-CB 4.43Å; Y814-M1031 HydrophobicContact CE1-CG 4.06Å; Y814-M1031 HydrophobicContact CE2-CB 4.27Å; Y814-M1031 HydrophobicContact CG-CG 4.39Å; Y814-M1031 HydrophobicContact CG-SD 4.19Å; Y814-S1035 WeakPolarHBondContact CE2-OG 3.19Å; Y814-S1035 PolarHBondContact OH-OG 3.21Å |
| 815 | L | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.2 | 178.7 | -171.1 | 76.5 | 0 | 0 | 0 | 109.8 | T770 P772 L800 F803 I825 M829 I866 L867 | T770-L815 HydrophobicContact CG2-CD1 3.7Å; P772-L815 HydrophobicContact CG-CD1 3.86Å; P772-L815 HydrophobicContact CG-CG 4.38Å; L800-L815 HydrophobicContact CD2-CD2 4.29Å; F803-L815 HydrophobicContact CE2-CD1 4.41Å; L815-I825 HydrophobicContact CD2-CG2 3.74Å; L815-M829 HydrophobicContact CB-CE 4.41Å; L815-I866 WeakPolarHBondContact O-CA 3.35Å; L815-L867 HydrophobicContact CB-CB 4.48Å; L815-L867 PolarHBondContact N-O 3.22Å; L815-L867 PolarHBondContact O-N 3Å |
| 816 | F | 93.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 139.1 | 172.7 | -69.7 | -99.7 | 0 | 0 | 0 | 110.1 | V769 T770 D771 P772 I866 K1023 M1027 L1028 M1031 | V769-F816 HydrophobicContact CG1-CE2 4.11Å; T770-F816 WeakPolarHBondContact O-CD2 3.39Å; T770-F816 PolarHBondContact O-N 2.72Å; T770-F816 VanDerWaalsContact O-N 3.08Å; D771-F816 HydrophobicContact CB-CB 4.17Å; D771-F816 HydrophobicContact CB-CD2 4.12Å; D771-F816 HydrophobicContact CB-CG 4.31Å; D771-F816 WeakPolarHBondContact OD1-CB 3.47Å; P772-F816 WeakPolarHBondContact CD-O 3.39Å; F816-I866 HydrophobicContact CD1-CD1 3.95Å; F816-I866 HydrophobicContact CD1-CG1 3.69Å; F816-I866 HydrophobicContact CD1-CG2 4.45Å; F816-I866 HydrophobicContact CD2-CG2 4.48Å; F816-I866 HydrophobicContact CE1-CD1 3.44Å; F816-I866 VanDerWaalsContact CE1-CD1 3.44Å; F816-I866 HydrophobicContact CE1-CG1 3.74Å; F816-I866 HydrophobicContact CG-CG1 4.41Å; F816-I866 HydrophobicContact CG-CG2 4.44Å; F816-I866 HydrophobicContact CZ-CD1 4Å; F816-I866 HydrophobicContact CZ-CG1 4.49Å; F816-K1023 HydrophobicContact CD1-CD 4.19Å; F816-K1023 VanDerWaalsContact CD1-CE 3.48Å; F816-K1023 HydrophobicContact CE1-CD 3.84Å; F816-K1023 HydrophobicContact CE1-CG 4.2Å; F816-K1023 HydrophobicContact CZ-CD 4.27Å; F816-K1023 HydrophobicContact CZ-CG 4.11Å; F816-M1027 HydrophobicContact CE1-SD 3.96Å; F816-M1027 HydrophobicContact CZ-SD 4.07Å; F816-L1028 HydrophobicContact CZ-CD2 4.38Å; F816-M1031 HydrophobicContact CE1-CE 4.28Å; F816-M1031 HydrophobicContact CE2-CE 4.1Å; F816-M1031 HydrophobicContact CE2-SD 4.29Å; F816-M1031 HydrophobicContact CZ-CE 3.59Å; F816-M1031 HydrophobicContact CZ-SD 4.12Å |
| 817 | C | 89.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 150.6 | 177.6 | 54 | 0 | 0 | 0 | 0 | 112.1 | Y774 I825 R865 | Y774-C817 VanDerWaalsContact CE1-C 3.45Å; C817-I825 HydrophobicContact CB-CD1 3.81Å; C817-R865 PolarHBondContact N-O 2.97Å; C817-R865 PolarHBondContact O-N 3.42Å; C817-R865 WeakPolarHBondContact SG-CB 3.36Å |
| 818 | G | 81.7 | Confident | 89.2 | Confident | 10 Ų | 10 | 35 Ų | 35 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | trans | -76.6 | 148.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | R820 L821 A822 | G818-R820 PolarHBondContact O-N 2.79Å; G818-R820 VanDerWaalsContact O-N 3.08Å; G818-L821 PolarHBondContact O-N 2.93Å; G818-A822 PolarHBondContact O-N 3.32Å | ||
| 819 | H | 80.4 | Confident | 89.4 | Confident | 100 Ų | 100 | 32.4 Ų | 32.4 | 46% | 0.463 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.9 | -178.4 | 65.1 | -75.2 | 0 | 0 | 0 | 114.6 | ||
| 820 | R | 83.9 | Confident | 89.9 | Confident | 129 Ų | 129 | 35.8 Ų | 35.8 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -44.9 | -174.6 | -179.2 | -179.1 | 162.4 | -179.1 | -8.2 | 113.7 | D789 G818 | D789-R820 VanDerWaalsContact CG-NH2 3.32Å; D789-R820 IonicContact OD1-CZ 3.53Å; D789-R820 IonicContact OD1-NH2 2.66Å; D789-R820 PolarHBondContact OD1-NH2 2.91Å; D789-R820 IonicContact OD2-CZ 2.73Å; D789-R820 IonicContact OD2-NE 2.73Å; D789-R820 IonicContact OD2-NH2 2.57Å; D789-R820 PolarHBondContact OD2-NH2 2.84Å; G818-R820 PolarHBondContact O-N 2.79Å; G818-R820 VanDerWaalsContact O-N 3.08Å |
| 821 | L | 88.4 | Confident | 90.4 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 11.6 | -175 | -66.5 | 178.2 | 0 | 0 | 0 | 112.8 | F775 D789 Y792 G818 S823 D824 I825 | F775-L821 HydrophobicContact CD1-CD1 3.86Å; D789-L821 HydrophobicContact CB-CD2 4.42Å; Y792-L821 HydrophobicContact CD1-CD1 3.69Å; Y792-L821 HydrophobicContact CE1-CD1 3.96Å; G818-L821 PolarHBondContact O-N 2.93Å; L821-S823 VanDerWaalsContact C-N 3.28Å; L821-S823 PolarHBondContact O-N 3.43Å; L821-D824 PolarHBondContact O-N 3.24Å; L821-I825 HydrophobicContact CB-CD1 4.13Å; L821-I825 HydrophobicContact CB-CG1 4.38Å; L821-I825 WeakPolarHBondContact O-CG1 3.19Å; L821-I825 PolarHBondContact O-N 2.87Å |
| 822 | A | 89.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.4 | -41.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G818 E826 R865 | G818-A822 PolarHBondContact O-N 3.32Å; A822-E826 WeakPolarHBondContact O-CB 3.34Å; A822-E826 PolarHBondContact O-N 2.81Å; A822-R865 HydrophobicContact CB-CB 4.22Å; A822-R865 HydrophobicContact CB-CG 4.05Å |
| 823 | S | 90.9 | Very high | 90.3 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 57% | 0.573 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -67.5 | -42.6 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | L821 E826 I827 | L821-S823 VanDerWaalsContact C-N 3.28Å; L821-S823 PolarHBondContact O-N 3.43Å; S823-E826 PolarHBondContact O-N 2.92Å; S823-I827 WeakPolarHBondContact O-CG1 3.28Å; S823-I827 PolarHBondContact O-N 3.41Å |
| 824 | D | 92.6 | Very high | 90 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65 | -41.4 | 177.4 | -54.1 | -73.5 | 0 | 0 | 0 | 111.4 | L793 L821 I827 M828 | L793-D824 HydrophobicContact CD1-CB 4.09Å; L793-D824 HydrophobicContact CD2-CB 4.14Å; L821-D824 PolarHBondContact O-N 3.24Å; D824-I827 PolarHBondContact O-N 2.68Å; D824-M828 WeakPolarHBondContact O-CB 3.12Å; D824-M828 PolarHBondContact O-N 3.48Å |
| 825 | I | 93.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.7 | -63.3 | 167.1 | 0 | 0 | 0 | 110.5 | Y792 L793 L796 L815 C817 L821 M828 M829 L867 | Y792-I825 HydrophobicContact CE1-CD1 4.19Å; L793-I825 HydrophobicContact CD2-CG1 4.01Å; L796-I825 HydrophobicContact CD2-CB 4.4Å; L796-I825 HydrophobicContact CD2-CD1 4Å; L796-I825 HydrophobicContact CD2-CG1 3.78Å; L796-I825 HydrophobicContact CD2-CG2 3.77Å; L815-I825 HydrophobicContact CD2-CG2 3.74Å; C817-I825 HydrophobicContact CB-CD1 3.81Å; L821-I825 HydrophobicContact CB-CD1 4.13Å; L821-I825 HydrophobicContact CB-CG1 4.38Å; L821-I825 WeakPolarHBondContact O-CG1 3.19Å; L821-I825 PolarHBondContact O-N 2.87Å; I825-M828 PolarHBondContact O-N 3.11Å; I825-M829 VanDerWaalsContact O-CB 3.22Å; I825-M829 WeakPolarHBondContact O-CB 3.46Å; I825-M829 PolarHBondContact O-N 3.34Å; I825-L867 HydrophobicContact CB-CD1 4.42Å; I825-L867 HydrophobicContact CG2-CD1 3.8Å |
| 826 | E | 93.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 177 | -173 | -174.4 | 159.9 | 0 | 0 | 111.8 | A822 S823 M828 M829 R830 V835 L867 | A822-E826 WeakPolarHBondContact O-CB 3.34Å; A822-E826 PolarHBondContact O-N 2.81Å; S823-E826 PolarHBondContact O-N 2.92Å; E826-M828 VanDerWaalsContact C-N 3.34Å; E826-M828 PolarHBondContact O-N 2.79Å; E826-M829 PolarHBondContact O-N 3.42Å; E826-R830 VanDerWaalsContact O-CG 3.29Å; E826-R830 WeakPolarHBondContact O-CG 3.32Å; E826-R830 PolarHBondContact O-N 3.07Å; E826-R830 IonicContact OE1-CZ 3.98Å; E826-R830 VanDerWaalsContact OE1-CZ 3.3Å; E826-R830 IonicContact OE1-NE 3.71Å; E826-R830 PolarHBondContact OE1-NE 2.7Å; E826-R830 IonicContact OE1-NH2 3.67Å; E826-R830 PolarHBondContact OE1-NH2 3Å; E826-V835 HydrophobicContact CG-CG1 4.36Å; E826-V835 HydrophobicContact CG-CG2 4.45Å; E826-L867 HydrophobicContact CB-CD1 4.07Å; E826-L867 HydrophobicContact CB-CD2 4.05Å; E826-L867 HydrophobicContact CG-CD2 4.04Å |
| 827 | I | 92.6 | Very high | 89.3 | Confident | 114 Ų | 114 | 50.4 Ų | 50.4 | 59% | 0.585 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.1 | -47 | 177.2 | -68.6 | 166.7 | 0 | 0 | 0 | 110.3 | S823 D824 R830 | S823-I827 WeakPolarHBondContact O-CG1 3.28Å; S823-I827 PolarHBondContact O-N 3.41Å; D824-I827 PolarHBondContact O-N 2.68Å; I827-R830 WeakPolarHBondContact O-CB 3.31Å; I827-R830 PolarHBondContact O-N 3.44Å |
| 828 | M | 91.7 | Very high | 89.3 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.4 | -179.8 | -160.6 | -56.6 | 0 | 0 | 112.2 | L793 L796 D797 L800 D824 I825 E826 R830 E831 | L793-M828 HydrophobicContact CB-CE 3.47Å; L793-M828 VanDerWaalsContact CB-CE 3.47Å; L793-M828 HydrophobicContact CD2-CE 3.47Å; L793-M828 VanDerWaalsContact CD2-CE 3.47Å; L793-M828 HydrophobicContact CG-CE 3.98Å; L793-M828 VanDerWaalsContact O-CE 3.22Å; L793-M828 WeakPolarHBondContact O-CE 3.37Å; L796-M828 HydrophobicContact CB-SD 4.5Å; D797-M828 HydrophobicContact CB-CG 4.17Å; D797-M828 HydrophobicContact CB-SD 3.63Å; L800-M828 HydrophobicContact CD1-CG 4.18Å; L800-M828 HydrophobicContact CD1-SD 3.82Å; D824-M828 WeakPolarHBondContact O-CB 3.12Å; D824-M828 PolarHBondContact O-N 3.48Å; I825-M828 PolarHBondContact O-N 3.11Å; E826-M828 VanDerWaalsContact C-N 3.34Å; E826-M828 PolarHBondContact O-N 2.79Å; M828-R830 VanDerWaalsContact C-N 3.27Å; M828-R830 PolarHBondContact O-N 2.98Å; M828-E831 WeakPolarHBondContact O-CB 3.17Å; M828-E831 PolarHBondContact O-N 2.98Å |
| 829 | M | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 179.3 | -167.7 | -179 | -169.8 | 0 | 0 | 111.4 | L800 L813 L815 I825 E826 E831 R832 F833 V835 L867 A869 | L800-M829 HydrophobicContact CD1-CB 4.35Å; L800-M829 HydrophobicContact CD2-CG 4.42Å; L813-M829 HydrophobicContact CB-CE 4.44Å; L813-M829 HydrophobicContact CD2-CE 3.37Å; L813-M829 HydrophobicContact CG-CE 3.68Å; L815-M829 HydrophobicContact CB-CE 4.41Å; I825-M829 VanDerWaalsContact O-CB 3.22Å; I825-M829 WeakPolarHBondContact O-CB 3.46Å; I825-M829 PolarHBondContact O-N 3.34Å; E826-M829 PolarHBondContact O-N 3.42Å; M829-E831 PolarHBondContact O-N 3.38Å; M829-R832 PolarHBondContact O-N 2.91Å; M829-R832 VanDerWaalsContact O-N 3.08Å; M829-F833 HydrophobicContact CG-CB 4.26Å; M829-F833 HydrophobicContact CG-CD2 4.12Å; M829-F833 PolarHBondContact O-N 3.4Å; M829-V835 HydrophobicContact CB-CG2 4.17Å; M829-V835 HydrophobicContact CG-CG2 3.97Å; M829-V835 HydrophobicContact SD-CG2 3.87Å; M829-L867 HydrophobicContact CE-CB 4.5Å; M829-L867 HydrophobicContact SD-CB 3.72Å; M829-L867 HydrophobicContact SD-CD1 3.92Å; M829-L867 HydrophobicContact SD-CG 4.47Å; M829-A869 HydrophobicContact CE-CB 3.23Å; M829-A869 HydrophobicContact SD-CB 4.11Å |
| 830 | R | 91.2 | Very high | 90.4 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -17.7 | 174.5 | -72.9 | 173.6 | -178.9 | -75.7 | -0.8 | 113.3 | E826 I827 M828 R832 F833 V835 Y872 | E826-R830 VanDerWaalsContact O-CG 3.29Å; E826-R830 WeakPolarHBondContact O-CG 3.32Å; E826-R830 PolarHBondContact O-N 3.07Å; E826-R830 IonicContact OE1-CZ 3.98Å; E826-R830 VanDerWaalsContact OE1-CZ 3.3Å; E826-R830 IonicContact OE1-NE 3.71Å; E826-R830 PolarHBondContact OE1-NE 2.7Å; E826-R830 IonicContact OE1-NH2 3.67Å; E826-R830 PolarHBondContact OE1-NH2 3Å; I827-R830 WeakPolarHBondContact O-CB 3.31Å; I827-R830 PolarHBondContact O-N 3.44Å; M828-R830 VanDerWaalsContact C-N 3.27Å; M828-R830 PolarHBondContact O-N 2.98Å; R830-R832 PolarHBondContact O-N 2.92Å; R830-F833 WeakPolarHBondContact CA-O 3.37Å; R830-V835 HydrophobicContact CG-CB 4.27Å; R830-V835 HydrophobicContact CG-CG2 3.79Å; R830-Y872 WeakPolarHBondContact O-CE2 3.43Å; R830-Y872 PolarHBondContact O-OH 2.98Å |
| 831 | E | 88.1 | Confident | 90.7 | Very high | 114 Ų | 114 | 43.8 Ų | 43.8 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.5 | 173.4 | -60.4 | -172.2 | 176.2 | 0 | 0 | 113.8 | M828 M829 R877 | M828-E831 WeakPolarHBondContact O-CB 3.17Å; M828-E831 PolarHBondContact O-N 2.98Å; M829-E831 PolarHBondContact O-N 3.38Å; E831-R877 PolarHBondContact O-NH1 3.41Å |
| 832 | R | 87.4 | Confident | 90.8 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -32.3 | -174.9 | -59 | -177 | -170.1 | -75.3 | -2.9 | 113.9 | D797 W804 M829 R830 | D797-R832 IonicContact OD1-CZ 3.37Å; D797-R832 IonicContact OD1-NE 3.29Å; D797-R832 PolarHBondContact OD1-NE 2.73Å; D797-R832 IonicContact OD1-NH2 3.44Å; D797-R832 PolarHBondContact OD1-NH2 2.78Å; D797-R832 IonicContact OD2-NH2 3.63Å; D797-R832 PolarHBondContact OD2-NH2 2.93Å; W804-R832 VanDerWaalsContact CD1-O 3.26Å; W804-R832 PolarHBondContact NE1-O 3.43Å; M829-R832 PolarHBondContact O-N 2.91Å; M829-R832 VanDerWaalsContact O-N 3.08Å; R830-R832 PolarHBondContact O-N 2.92Å |
| 833 | F | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -125.4 | 149.6 | -174.6 | -63.5 | -80.9 | 0 | 0 | 0 | 111.6 | L800 F803 W804 L807 L813 M829 R830 V835 A869 E870 Y872 | L800-F833 HydrophobicContact CB-CE2 4.46Å; L800-F833 HydrophobicContact CD2-CE2 4.2Å; F803-F833 HydrophobicContact CB-CZ 4.16Å; W804-F833 VanDerWaalsContact CA-CZ 3.45Å; W804-F833 HydrophobicContact CB-CE1 4.27Å; W804-F833 HydrophobicContact CB-CE2 4.15Å; W804-F833 HydrophobicContact CB-CZ 3.69Å; W804-F833 HydrophobicContact CG-CZ 4.38Å; L807-F833 HydrophobicContact CD2-CE1 3.92Å; L813-F833 HydrophobicContact CD2-CD1 4.38Å; L813-F833 HydrophobicContact CD2-CD2 4.04Å; L813-F833 HydrophobicContact CD2-CE1 4.08Å; L813-F833 HydrophobicContact CD2-CE2 3.7Å; L813-F833 HydrophobicContact CD2-CG 4.35Å; L813-F833 HydrophobicContact CD2-CZ 3.69Å; M829-F833 HydrophobicContact CG-CB 4.26Å; M829-F833 HydrophobicContact CG-CD2 4.12Å; M829-F833 PolarHBondContact O-N 3.4Å; R830-F833 WeakPolarHBondContact CA-O 3.37Å; F833-V835 PolarHBondContact O-N 3.44Å; F833-A869 HydrophobicContact CB-CB 3.88Å; F833-E870 CarbonylContact C-O 3.55Å; F833-E870 WeakPolarHBondContact CA-O 3.41Å; F833-E870 WeakPolarHBondContact CB-O 3.31Å; F833-Y872 VanDerWaalsContact C-CE2 3.41Å; F833-Y872 WeakPolarHBondContact O-CE2 3.37Å; F833-Y872 VanDerWaalsContact O-CZ 3.3Å; F833-Y872 PolarHBondContact O-OH 3.41Å |
| 834 | N | 89.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 103.1 | 166.4 | -177.7 | 33.7 | 0 | 0 | 0 | 108.8 | L836 A869 E870 Y872 | N834-L836 PolarHBondContact O-N 2.96Å; N834-A869 CarbonylContact O-C 3.52Å; N834-A869 VanDerWaalsContact O-CA 3.22Å; N834-A869 WeakPolarHBondContact O-CA 3.35Å; N834-A869 WeakPolarHBondContact O-CB 3.37Å; N834-E870 HydrophobicContact CB-CG 3.95Å; N834-E870 PolarHBondContact N-O 3.38Å; N834-E870 PolarHBondContact ND2-OE1 3.24Å; N834-E870 PolarHBondContact O-N 2.8Å; N834-Y872 HydrophobicContact CB-CD1 3.71Å; N834-Y872 HydrophobicContact CB-CE1 3.81Å; N834-Y872 HydrophobicContact CB-CG 4.24Å |
| 835 | V | 91.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 109.5 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | E826 M829 R830 F833 L867 F868 A869 | E826-V835 HydrophobicContact CG-CG1 4.36Å; E826-V835 HydrophobicContact CG-CG2 4.45Å; M829-V835 HydrophobicContact CB-CG2 4.17Å; M829-V835 HydrophobicContact CG-CG2 3.97Å; M829-V835 HydrophobicContact SD-CG2 3.87Å; R830-V835 HydrophobicContact CG-CB 4.27Å; R830-V835 HydrophobicContact CG-CG2 3.79Å; F833-V835 PolarHBondContact O-N 3.44Å; V835-L867 HydrophobicContact CG1-CD2 4.48Å; V835-F868 CarbonylContact C-O 3.6Å; V835-A869 HydrophobicContact CB-CB 4.5Å; V835-A869 HydrophobicContact CG2-CB 4.2Å |
| 836 | L | 89.9 | Confident | 88.2 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -45 | -177 | -70.1 | 175.8 | 0 | 0 | 0 | 112.2 | N834 F868 E870 | N834-L836 PolarHBondContact O-N 2.96Å; L836-F868 HydrophobicContact CB-CD1 3.96Å; L836-F868 HydrophobicContact CB-CE1 4.23Å; L836-F868 HydrophobicContact CD1-CD1 4.03Å; L836-F868 HydrophobicContact CD1-CE1 3.51Å; L836-F868 HydrophobicContact CD1-CE2 4.39Å; L836-F868 HydrophobicContact CD1-CZ 3.71Å; L836-F868 PolarHBondContact N-O 3.46Å; L836-E870 HydrophobicContact CD1-CB 4.27Å; L836-E870 HydrophobicContact CD1-CG 3.88Å; L836-E870 HydrophobicContact CD2-CG 4.05Å; L836-E870 HydrophobicContact CG-CG 3.84Å |
| 837 | N | 89 | Confident | 87.2 | Confident | 64 Ų | 64 | 54.3 Ų | 54.3 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.8 | -175.6 | -160.3 | -2.4 | 0 | 0 | 0 | 111.4 | F868 | N837-F868 HydrophobicContact CB-CD1 4.47Å; N837-F868 PolarHBondContact N-O 3.04Å; N837-F868 PolarHBondContact O-N 2.95Å |
| 838 | H | 89.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 95.9 | 172.8 | 177.7 | -153.7 | 0 | 0 | 0 | 109.5 | I840 R865 L867 | H838-I840 PolarHBondContact O-N 2.86Å; H838-R865 WeakPolarHBondContact CE1-CD 3.48Å; H838-R865 PolarHBondContact CE1-NE 3.42Å; H838-R865 WeakPolarHBondContact NE2-CB 3.26Å; H838-R865 WeakPolarHBondContact NE2-CD 3.42Å; H838-R865 WeakPolarHBondContact NE2-CG 3.48Å; H838-L867 HydrophobicContact CB-CD2 4.37Å |
| 839 | I | 91.7 | Very high | 85.5 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.6 | -176.3 | -61.7 | 157.2 | 0 | 0 | 0 | 109.4 | Y814 I866 F868 D1005 W1007 | Y814-I839 HydrophobicContact CD1-CD1 4.31Å; Y814-I839 HydrophobicContact CE1-CD1 3.91Å; I839-I866 HydrophobicContact CB-CB 4.13Å; I839-I866 HydrophobicContact CG2-CD1 4.24Å; I839-I866 PolarHBondContact N-O 2.87Å; I839-I866 PolarHBondContact O-N 2.59Å; I839-F868 HydrophobicContact CD1-CB 4.19Å; I839-D1005 CarbonylContact C-O 3.48Å; I839-D1005 VanDerWaalsContact CA-O 3.27Å; I839-D1005 WeakPolarHBondContact CA-O 3.19Å; I839-W1007 HydrophobicContact CD1-CH2 3.91Å; I839-W1007 HydrophobicContact CD1-CZ2 3.67Å; I839-W1007 HydrophobicContact CG1-CZ2 4.34Å; I839-W1007 HydrophobicContact CG2-CB 4.36Å; I839-W1007 HydrophobicContact CG2-CD2 3.42Å; I839-W1007 VanDerWaalsContact CG2-CD2 3.42Å; I839-W1007 HydrophobicContact CG2-CE3 3.84Å; I839-W1007 HydrophobicContact CG2-CG 3.66Å; I839-W1007 HydrophobicContact CG2-CZ2 4.12Å; I839-W1007 HydrophobicContact CG2-CZ3 4.38Å |
| 840 | I | 92.2 | Very high | 84.5 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.205 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 106.4 | 175.2 | -62.2 | -179.9 | 0 | 0 | 0 | 108.8 | H838 A842 T863 D1005 V1006 W1007 | H838-I840 PolarHBondContact O-N 2.86Å; I840-A842 PolarHBondContact O-N 2.94Å; I840-T863 HydrophobicContact CG2-CG2 3.79Å; I840-D1005 PolarHBondContact N-O 3.4Å; I840-V1006 HydrophobicContact CB-CG2 4.43Å; I840-V1006 CarbonylContact O-C 3.56Å; I840-V1006 WeakPolarHBondContact O-CA 3.35Å; I840-W1007 PolarHBondContact O-N 2.66Å |
| 841 | W | 91.5 | Very high | 83.6 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 97.6 | 168.5 | 178.6 | 33 | 0 | 0 | 0 | 110.4 | K843 T863 E864 I866 W1007 H1009 P1011 K1023 P1024 M1027 | W841-K843 HydrophobicContact CD2-CG 4.17Å; W841-K843 HydrophobicContact CE3-CG 4.5Å; W841-K843 HydrophobicContact CH2-CG 4.43Å; W841-K843 HydrophobicContact CZ2-CG 4.11Å; W841-K843 PolarHBondContact O-N 2.95Å; W841-T863 CarbonylContact O-C 3.59Å; W841-T863 VanDerWaalsContact O-CA 3.22Å; W841-T863 WeakPolarHBondContact O-CA 3.35Å; W841-E864 HydrophobicContact CB-CB 4.43Å; W841-E864 HydrophobicContact CE3-CB 3.92Å; W841-E864 HydrophobicContact CE3-CG 4.33Å; W841-E864 VanDerWaalsContact CZ3-OE2 3.28Å; W841-E864 WeakPolarHBondContact CZ3-OE2 3.49Å; W841-E864 PolarHBondContact N-O 3.32Å; W841-E864 PolarHBondContact O-N 3.27Å; W841-I866 HydrophobicContact CB-CD1 4.36Å; W841-W1007 CarbonylContact C-O 3.51Å; W841-W1007 WeakPolarHBondContact CA-O 3.49Å; W841-H1009 PolarHBondContact NE1-O 3.17Å; W841-P1011 HydrophobicContact CH2-CB 4.36Å; W841-P1011 HydrophobicContact CH2-CG 4.4Å; W841-P1011 HydrophobicContact CZ2-CB 4.27Å; W841-P1011 HydrophobicContact CZ2-CG 3.98Å; W841-K1023 HydrophobicContact CZ3-CD 4.17Å; W841-P1024 HydrophobicContact CH2-CG 3.9Å; W841-P1024 HydrophobicContact CZ2-CG 3.6Å; W841-M1027 HydrophobicContact CB-CE 4.23Å; W841-M1027 VanDerWaalsContact CD1-CE 3.49Å; W841-M1027 HydrophobicContact CD2-CE 3.29Å; W841-M1027 HydrophobicContact CE3-CE 3.85Å; W841-M1027 HydrophobicContact CG-CE 3.42Å; W841-M1027 VanDerWaalsContact CG-CE 3.42Å; W841-M1027 HydrophobicContact CH2-CE 4.39Å; W841-M1027 HydrophobicContact CZ2-CE 3.9Å; W841-M1027 HydrophobicContact CZ3-CE 4.36Å |
| 842 | A | 89.4 | Confident | 83.1 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I840 P844 T863 V1006 W1007 T1008 | I840-A842 PolarHBondContact O-N 2.94Å; A842-P844 VanDerWaalsContact O-CD 3.29Å; A842-P844 WeakPolarHBondContact O-CD 3.42Å; A842-T863 HydrophobicContact CB-CG2 4.24Å; A842-V1006 HydrophobicContact CB-CG1 4.33Å; A842-W1007 PolarHBondContact N-O 3.24Å; A842-T1008 HydrophobicContact CB-CG2 4.47Å; A842-T1008 WeakPolarHBondContact O-CA 3.35Å |
| 843 | K | 86.5 | Confident | 82.9 | Confident | 48 Ų | 48 | 61 Ų | 61 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | trans | -75.2 | 119 | -178 | -64.7 | 172.5 | -175.1 | 170.4 | 0 | 108.8 | W841 S845 W848 A862 E864 P1011 | W841-K843 HydrophobicContact CD2-CG 4.17Å; W841-K843 HydrophobicContact CE3-CG 4.5Å; W841-K843 HydrophobicContact CH2-CG 4.43Å; W841-K843 HydrophobicContact CZ2-CG 4.11Å; W841-K843 PolarHBondContact O-N 2.95Å; K843-S845 PolarHBondContact O-N 3.26Å; K843-S845 VanDerWaalsContact O-N 3.13Å; K843-W848 HydrophobicContact CB-CH2 3.62Å; K843-W848 HydrophobicContact CB-CZ3 4.33Å; K843-W848 VanDerWaalsContact O-CH2 3.29Å; K843-W848 WeakPolarHBondContact O-CH2 3.35Å; K843-W848 WeakPolarHBondContact O-CZ2 3.45Å; K843-A862 WeakPolarHBondContact CB-O 3.22Å; K843-A862 PolarHBondContact N-O 2.83Å; K843-E864 WeakPolarHBondContact CE-OE1 3.11Å; K843-E864 IonicContact NZ-OE1 2.86Å; K843-E864 PolarHBondContact NZ-OE1 3.34Å; K843-P1011 HydrophobicContact CB-CG 3.97Å; K843-P1011 HydrophobicContact CD-CG 4.29Å; K843-P1011 HydrophobicContact CG-CG 3.97Å | ||
| 844 | P | 79.9 | Confident | 82.4 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -67.6 | -12.7 | -178.2 | 25.3 | -35.9 | 0 | 0 | 0 | 114.2 | A842 K1010 | A842-P844 VanDerWaalsContact O-CD 3.29Å; A842-P844 WeakPolarHBondContact O-CD 3.42Å; P844-K1010 HydrophobicContact CG-CB 4.5Å; P844-K1010 HydrophobicContact CG-CG 3.89Å |
| 845 | S | 74.6 | Confident | 81.8 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 33% | 0.329 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -152.7 | 153.2 | 176.9 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | K843 W848 | K843-S845 PolarHBondContact O-N 3.26Å; K843-S845 VanDerWaalsContact O-N 3.13Å; S845-W848 VanDerWaalsContact C-CZ2 3.43Å; S845-W848 WeakPolarHBondContact O-CH2 3.35Å |
| 846 | G | 71.8 | Confident | 81 | Confident | 33 Ų | 33 | 72.3 Ų | 72.3 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | trans | 174.6 | -172 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | W848 N849 | G846-W848 VanDerWaalsContact CA-CZ3 3.45Å; G846-W848 PolarHBondContact O-N 2.87Å; G846-W848 VanDerWaalsContact O-N 3.11Å; G846-N849 PolarHBondContact O-N 3.02Å | ||
| 847 | R | 72.2 | Confident | 80.4 | Confident | 209 Ų | 209 | 80.9 Ų | 80.9 | 79% | 0.789 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -60 | -25.8 | -169.9 | -167 | 179.5 | -177.2 | -165.2 | 0.9 | 113.9 | N849 G850 C851 F860 | R847-N849 PolarHBondContact O-N 3.41Å; R847-G850 PolarHBondContact O-N 3.37Å; R847-C851 PolarHBondContact O-N 3.36Å; R847-C851 PolarHBondContact O-SG 3.3Å; R847-C851 VanDerWaalsContact O-SG 3.4Å; R847-F860 HydrophobicContact CB-CZ 4.06Å |
| 848 | W | 72.2 | Confident | 80 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 22% | 0.223 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -61.1 | -25.4 | 179.1 | 63.1 | 87.4 | 0 | 0 | 0 | 113.9 | K843 S845 G846 G850 C851 F860 A862 | K843-W848 HydrophobicContact CB-CH2 3.62Å; K843-W848 HydrophobicContact CB-CZ3 4.33Å; K843-W848 VanDerWaalsContact O-CH2 3.29Å; K843-W848 WeakPolarHBondContact O-CH2 3.35Å; K843-W848 WeakPolarHBondContact O-CZ2 3.45Å; S845-W848 VanDerWaalsContact C-CZ2 3.43Å; S845-W848 WeakPolarHBondContact O-CH2 3.35Å; G846-W848 VanDerWaalsContact CA-CZ3 3.45Å; G846-W848 PolarHBondContact O-N 2.87Å; G846-W848 VanDerWaalsContact O-N 3.11Å; W848-G850 PolarHBondContact O-N 3.22Å; W848-C851 PolarHBondContact O-N 3.44Å; W848-F860 HydrophobicContact CB-CB 3.62Å; W848-F860 HydrophobicContact CB-CD1 3.57Å; W848-F860 HydrophobicContact CB-CD2 3.76Å; W848-F860 HydrophobicContact CB-CE1 4.13Å; W848-F860 HydrophobicContact CB-CE2 4.28Å; W848-F860 HydrophobicContact CB-CG 3.38Å; W848-F860 HydrophobicContact CB-CZ 4.45Å; W848-F860 HydrophobicContact CD2-CD1 4.12Å; W848-F860 HydrophobicContact CD2-CE1 4.41Å; W848-F860 AromaticContact CE3-CD1 3.6Å; W848-F860 HydrophobicContact CE3-CD1 3.6Å; W848-F860 AromaticContact CE3-CE1 3.53Å; W848-F860 HydrophobicContact CE3-CE1 3.53Å; W848-F860 HydrophobicContact CE3-CZ 4.44Å; W848-F860 HydrophobicContact CG-CD1 4.16Å; W848-F860 HydrophobicContact CG-CG 4.36Å; W848-F860 HydrophobicContact CZ3-CE1 4.35Å; W848-A862 HydrophobicContact CD2-CB 4Å; W848-A862 HydrophobicContact CE3-CB 4Å; W848-A862 HydrophobicContact CH2-CB 3.86Å; W848-A862 HydrophobicContact CZ2-CB 3.84Å; W848-A862 HydrophobicContact CZ3-CB 3.92Å |
| 849 | N | 74.7 | Confident | 79.5 | Confident | 121 Ų | 121 | 90.2 Ų | 90.2 | 65% | 0.647 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -63.1 | -21.7 | 174.2 | -73.1 | -8.8 | 0 | 0 | 0 | 112.5 | G846 R847 | G846-N849 PolarHBondContact O-N 3.02Å; R847-N849 PolarHBondContact O-N 3.41Å |
| 850 | G | 72.8 | Confident | 78.8 | Confident | 74 Ų | 74 | 93.3 Ų | 93.3 | 76% | 0.763 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -111.4 | 7.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R847 W848 | R847-G850 PolarHBondContact O-N 3.37Å; W848-G850 PolarHBondContact O-N 3.22Å |
| 851 | C | 72 | Confident | 78 | Confident | 31 Ų | 31 | 94 Ų | 94 | 21% | 0.209 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -83.3 | 137.1 | 177.6 | -71.4 | 0 | 0 | 0 | 0 | 110.5 | R847 W848 K853 L856 | R847-C851 PolarHBondContact O-N 3.36Å; R847-C851 PolarHBondContact O-SG 3.3Å; R847-C851 VanDerWaalsContact O-SG 3.4Å; W848-C851 PolarHBondContact O-N 3.44Å; C851-K853 PolarHBondContact O-N 2.84Å; C851-L856 HydrophobicContact CB-CD1 3.95Å; C851-L856 HydrophobicContact CB-CD2 4.27Å; C851-L856 HydrophobicContact CB-CG 4.37Å |
| 852 | N | 77 | Confident | 77.6 | Confident | 94 Ų | 94 | 95 Ų | 95 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | trans | -63.3 | 115.2 | 166.1 | 173 | -63.1 | 0 | 0 | 0 | 108.2 | E854 S855 | N852-E854 VanDerWaalsContact C-N 3.29Å; N852-E854 PolarHBondContact ND2-OE2 3.44Å; N852-E854 PolarHBondContact O-N 3.43Å; N852-E854 WeakPolarHBondContact OD1-CB 3.46Å; N852-E854 PolarHBondContact OD1-N 2.96Å; N852-E854 VanDerWaalsContact OD1-N 3.16Å; N852-E854 PolarHBondContact OD1-OE2 3.35Å; N852-S855 PolarHBondContact O-N 3.34Å; N852-S855 PolarHBondContact O-OG 3.09Å; N852-S855 WeakPolarHBondContact OD1-CB 3.42Å; N852-S855 PolarHBondContact OD1-N 3.48Å | ||
| 853 | K | 82.3 | Confident | 77.5 | Confident | 175 Ų | 175 | 95.6 Ų | 95.6 | 76% | 0.761 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -64.7 | -37.3 | -170.8 | -65.9 | 178 | -176.7 | 174.5 | 0 | 111.3 | C851 S855 L856 | C851-K853 PolarHBondContact O-N 2.84Å; K853-S855 PolarHBondContact O-N 3.03Å; K853-L856 PolarHBondContact O-N 3.17Å |
| 854 | E | 80.2 | Confident | 77.6 | Confident | 153 Ų | 153 | 94.4 Ų | 94.4 | 72% | 0.715 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -65.9 | -28.5 | -179 | -57.8 | 73.9 | -156.3 | 0 | 0 | 111.9 | N852 | N852-E854 VanDerWaalsContact C-N 3.29Å; N852-E854 PolarHBondContact ND2-OE2 3.44Å; N852-E854 PolarHBondContact O-N 3.43Å; N852-E854 WeakPolarHBondContact OD1-CB 3.46Å; N852-E854 PolarHBondContact OD1-N 2.96Å; N852-E854 VanDerWaalsContact OD1-N 3.16Å; N852-E854 PolarHBondContact OD1-OE2 3.35Å |
| 855 | S | 78.3 | Confident | 78.1 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -77.8 | -18.2 | -177.6 | 72.1 | 0 | 0 | 0 | 0 | 115.3 | N852 K853 R857 | N852-S855 PolarHBondContact O-N 3.34Å; N852-S855 PolarHBondContact O-OG 3.09Å; N852-S855 WeakPolarHBondContact OD1-CB 3.42Å; N852-S855 PolarHBondContact OD1-N 3.48Å; K853-S855 PolarHBondContact O-N 3.03Å; S855-R857 PolarHBondContact O-N 3.09Å |
| 856 | L | 74.8 | Confident | 79 | Confident | 62 Ų | 62 | 91.7 Ų | 91.7 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | trans | -78.1 | -20.3 | -165 | -70.7 | 171.9 | 0 | 0 | 0 | 114.8 | C851 K853 A858 F860 | C851-L856 HydrophobicContact CB-CD1 3.95Å; C851-L856 HydrophobicContact CB-CD2 4.27Å; C851-L856 HydrophobicContact CB-CG 4.37Å; K853-L856 PolarHBondContact O-N 3.17Å; L856-A858 VanDerWaalsContact CB-O 3.27Å; L856-A858 WeakPolarHBondContact CB-O 3.41Å; L856-A858 PolarHBondContact O-N 2.93Å; L856-F860 HydrophobicContact CD1-CB 4.2Å; L856-F860 HydrophobicContact CD1-CD2 4.32Å; L856-F860 HydrophobicContact CD2-CD2 4.27Å | ||
| 857 | R | 76.4 | Confident | 80.1 | Confident | 254 Ų | 254 | 90.1 Ų | 90.1 | 96% | 0.958 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 41.4 | 13.7 | -171.5 | -68.3 | -164.5 | 76.4 | -178.9 | 3.5 | 116 | S855 | S855-R857 PolarHBondContact O-N 3.09Š|
| 858 | A | 80.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 80.9 Ų | 80.9 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -164.7 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | L856 | L856-A858 VanDerWaalsContact CB-O 3.27Å; L856-A858 WeakPolarHBondContact CB-O 3.41Å; L856-A858 PolarHBondContact O-N 2.93Å |
| 859 | Y | 79.3 | Confident | 82.2 | Confident | 236 Ų | 236 | 78 Ų | 78 | 93% | 0.925 | 40% | 0.404 | S | S | * | . | trans | -69.7 | 137.6 | 172.8 | -64.5 | -76.1 | 0 | 0 | 0 | 110.5 | ||||
| 860 | F | 76.7 | Confident | 82.9 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 31% | 0.311 | 38% | 0.378 | S | S | . | . | trans | -67.4 | 131.9 | 179.5 | -164.5 | -75.4 | 0 | 0 | 0 | 110.7 | R847 W848 L856 A862 | R847-F860 HydrophobicContact CB-CZ 4.06Å; W848-F860 HydrophobicContact CB-CB 3.62Å; W848-F860 HydrophobicContact CB-CD1 3.57Å; W848-F860 HydrophobicContact CB-CD2 3.76Å; W848-F860 HydrophobicContact CB-CE1 4.13Å; W848-F860 HydrophobicContact CB-CE2 4.28Å; W848-F860 HydrophobicContact CB-CG 3.38Å; W848-F860 HydrophobicContact CB-CZ 4.45Å; W848-F860 HydrophobicContact CD2-CD1 4.12Å; W848-F860 HydrophobicContact CD2-CE1 4.41Å; W848-F860 AromaticContact CE3-CD1 3.6Å; W848-F860 HydrophobicContact CE3-CD1 3.6Å; W848-F860 AromaticContact CE3-CE1 3.53Å; W848-F860 HydrophobicContact CE3-CE1 3.53Å; W848-F860 HydrophobicContact CE3-CZ 4.44Å; W848-F860 HydrophobicContact CG-CD1 4.16Å; W848-F860 HydrophobicContact CG-CG 4.36Å; W848-F860 HydrophobicContact CZ3-CE1 4.35Å; L856-F860 HydrophobicContact CD1-CB 4.2Å; L856-F860 HydrophobicContact CD1-CD2 4.32Å; L856-F860 HydrophobicContact CD2-CD2 4.27Å; F860-A862 PolarHBondContact O-N 3.43Å | ||
| 861 | P | 76.2 | Confident | 83.5 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | trans | -72.7 | 90.1 | 179 | 29.7 | -34.8 | 0 | 0 | 0 | 111.2 | T863 | P861-T863 PolarHBondContact O-N 3.42Š| ||
| 862 | A | 81.7 | Confident | 83.8 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | trans | -82.9 | 4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K843 W848 F860 | K843-A862 WeakPolarHBondContact CB-O 3.22Å; K843-A862 PolarHBondContact N-O 2.83Å; W848-A862 HydrophobicContact CD2-CB 4Å; W848-A862 HydrophobicContact CE3-CB 4Å; W848-A862 HydrophobicContact CH2-CB 3.86Å; W848-A862 HydrophobicContact CZ2-CB 3.84Å; W848-A862 HydrophobicContact CZ3-CB 3.92Å; F860-A862 PolarHBondContact O-N 3.43Å | ||
| 863 | T | 87.3 | Confident | 83 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.5 | -174.6 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | I840 W841 A842 P861 R865 | I840-T863 HydrophobicContact CG2-CG2 3.79Å; W841-T863 CarbonylContact O-C 3.59Å; W841-T863 VanDerWaalsContact O-CA 3.22Å; W841-T863 WeakPolarHBondContact O-CA 3.35Å; A842-T863 HydrophobicContact CB-CG2 4.24Å; P861-T863 PolarHBondContact O-N 3.42Å; T863-R865 PolarHBondContact OG1-NH1 3.02Å |
| 864 | E | 88.1 | Confident | 81.4 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 158.6 | 164.2 | -78.6 | 178.3 | -159.6 | 0 | 0 | 110.2 | W841 K843 K1023 | W841-E864 HydrophobicContact CB-CB 4.43Å; W841-E864 HydrophobicContact CE3-CB 3.92Å; W841-E864 HydrophobicContact CE3-CG 4.33Å; W841-E864 VanDerWaalsContact CZ3-OE2 3.28Å; W841-E864 WeakPolarHBondContact CZ3-OE2 3.49Å; W841-E864 PolarHBondContact N-O 3.32Å; W841-E864 PolarHBondContact O-N 3.27Å; K843-E864 WeakPolarHBondContact CE-OE1 3.11Å; K843-E864 IonicContact NZ-OE1 2.86Å; K843-E864 PolarHBondContact NZ-OE1 3.34Å; E864-K1023 IonicContact OE2-NZ 3.37Å; E864-K1023 PolarHBondContact OE2-NZ 2.82Å |
| 865 | R | 91.4 | Very high | 79.6 | Confident | 57 Ų | 57 | 65 Ų | 65 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141 | -176.1 | -69.8 | -41.2 | -166.1 | -122.6 | -4.3 | 110.5 | C817 A822 H838 T863 | C817-R865 PolarHBondContact N-O 2.97Å; C817-R865 PolarHBondContact O-N 3.42Å; C817-R865 WeakPolarHBondContact SG-CB 3.36Å; A822-R865 HydrophobicContact CB-CB 4.22Å; A822-R865 HydrophobicContact CB-CG 4.05Å; H838-R865 WeakPolarHBondContact CE1-CD 3.48Å; H838-R865 PolarHBondContact CE1-NE 3.42Å; H838-R865 WeakPolarHBondContact NE2-CB 3.26Å; H838-R865 WeakPolarHBondContact NE2-CD 3.42Å; H838-R865 WeakPolarHBondContact NE2-CG 3.48Å; T863-R865 PolarHBondContact OG1-NH1 3.02Å |
| 866 | I | 93.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 113.7 | 179.4 | -40.2 | 173.1 | 0 | 0 | 0 | 107.4 | Y814 L815 F816 I839 W841 W1007 M1027 M1031 | Y814-I866 HydrophobicContact CD1-CG2 4.18Å; L815-I866 WeakPolarHBondContact O-CA 3.35Å; F816-I866 HydrophobicContact CD1-CD1 3.95Å; F816-I866 HydrophobicContact CD1-CG1 3.69Å; F816-I866 HydrophobicContact CD1-CG2 4.45Å; F816-I866 HydrophobicContact CD2-CG2 4.48Å; F816-I866 HydrophobicContact CE1-CD1 3.44Å; F816-I866 VanDerWaalsContact CE1-CD1 3.44Å; F816-I866 HydrophobicContact CE1-CG1 3.74Å; F816-I866 HydrophobicContact CG-CG1 4.41Å; F816-I866 HydrophobicContact CG-CG2 4.44Å; F816-I866 HydrophobicContact CZ-CD1 4Å; F816-I866 HydrophobicContact CZ-CG1 4.49Å; I839-I866 HydrophobicContact CB-CB 4.13Å; I839-I866 HydrophobicContact CG2-CD1 4.24Å; I839-I866 PolarHBondContact N-O 2.87Å; I839-I866 PolarHBondContact O-N 2.59Å; W841-I866 HydrophobicContact CB-CD1 4.36Å; I866-W1007 HydrophobicContact CD1-CE3 4.48Å; I866-M1027 HydrophobicContact CD1-SD 3.93Å; I866-M1031 HydrophobicContact CB-CE 4.5Å; I866-M1031 HydrophobicContact CD1-CE 3.44Å; I866-M1031 VanDerWaalsContact CD1-CE 3.44Å; I866-M1031 HydrophobicContact CG1-CE 4.44Å; I866-M1031 HydrophobicContact CG2-CE 3.71Å |
| 867 | L | 94.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.5 | 177.2 | -59.7 | 174.3 | 0 | 0 | 0 | 108.3 | Y814 L815 I825 E826 M829 V835 H838 | Y814-L867 WeakPolarHBondContact CA-O 3.22Å; L815-L867 HydrophobicContact CB-CB 4.48Å; L815-L867 PolarHBondContact N-O 3.22Å; L815-L867 PolarHBondContact O-N 3Å; I825-L867 HydrophobicContact CB-CD1 4.42Å; I825-L867 HydrophobicContact CG2-CD1 3.8Å; E826-L867 HydrophobicContact CB-CD1 4.07Å; E826-L867 HydrophobicContact CB-CD2 4.05Å; E826-L867 HydrophobicContact CG-CD2 4.04Å; M829-L867 HydrophobicContact CE-CB 4.5Å; M829-L867 HydrophobicContact SD-CB 3.72Å; M829-L867 HydrophobicContact SD-CD1 3.92Å; M829-L867 HydrophobicContact SD-CG 4.47Å; V835-L867 HydrophobicContact CG1-CD2 4.48Å; H838-L867 HydrophobicContact CB-CD2 4.37Å |
| 868 | F | 94.5 | Very high | 75.7 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.3 | 174.5 | 175.5 | -137.3 | 0 | 0 | 0 | 109.1 | L813 Y814 V835 L836 N837 I839 F995 | L813-F868 CarbonylContact O-C 3.56Å; L813-F868 WeakPolarHBondContact O-CA 3.44Å; Y814-F868 HydrophobicContact CD1-CB 3.98Å; Y814-F868 AromaticContact CD1-CD2 3.88Å; Y814-F868 HydrophobicContact CD1-CD2 3.88Å; Y814-F868 HydrophobicContact CD1-CG 4.15Å; Y814-F868 AromaticContact CD2-CD2 4Å; Y814-F868 HydrophobicContact CD2-CD2 4Å; Y814-F868 HydrophobicContact CD2-CE2 4.33Å; Y814-F868 HydrophobicContact CE1-CB 3.85Å; Y814-F868 HydrophobicContact CE1-CD1 4.38Å; Y814-F868 AromaticContact CE1-CD2 3.49Å; Y814-F868 HydrophobicContact CE1-CD2 3.49Å; Y814-F868 VanDerWaalsContact CE1-CD2 3.49Å; Y814-F868 HydrophobicContact CE1-CE2 4.14Å; Y814-F868 AromaticContact CE1-CG 3.64Å; Y814-F868 HydrophobicContact CE1-CG 3.64Å; Y814-F868 AromaticContact CE2-CD2 3.61Å; Y814-F868 HydrophobicContact CE2-CD2 3.61Å; Y814-F868 AromaticContact CE2-CE2 3.62Å; Y814-F868 HydrophobicContact CE2-CE2 3.62Å; Y814-F868 HydrophobicContact CG-CD2 4.13Å; Y814-F868 AromaticContact CZ-CD2 3.34Å; Y814-F868 AromaticContact CZ-CE2 3.51Å; Y814-F868 AromaticContact CZ-CG 3.88Å; V835-F868 CarbonylContact C-O 3.6Å; L836-F868 HydrophobicContact CB-CD1 3.96Å; L836-F868 HydrophobicContact CB-CE1 4.23Å; L836-F868 HydrophobicContact CD1-CD1 4.03Å; L836-F868 HydrophobicContact CD1-CE1 3.51Å; L836-F868 HydrophobicContact CD1-CE2 4.39Å; L836-F868 HydrophobicContact CD1-CZ 3.71Å; L836-F868 PolarHBondContact N-O 3.46Å; N837-F868 HydrophobicContact CB-CD1 4.47Å; N837-F868 PolarHBondContact N-O 3.04Å; N837-F868 PolarHBondContact O-N 2.95Å; I839-F868 HydrophobicContact CD1-CB 4.19Å; F868-F995 HydrophobicContact CE1-CD2 4.14Å; F868-F995 AromaticContact CE1-CE2 3.76Å; F868-F995 HydrophobicContact CE1-CE2 3.76Å; F868-F995 AromaticContact CZ-CD2 3.96Å; F868-F995 HydrophobicContact CZ-CD2 3.96Å; F868-F995 AromaticContact CZ-CE2 3.94Å; F868-F995 HydrophobicContact CZ-CE2 3.94Å |
| 869 | A | 93.3 | Very high | 74.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 168.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L813 M829 F833 N834 V835 | L813-A869 PolarHBondContact N-O 2.87Å; L813-A869 PolarHBondContact O-N 3.22Å; M829-A869 HydrophobicContact CE-CB 3.23Å; M829-A869 HydrophobicContact SD-CB 4.11Å; F833-A869 HydrophobicContact CB-CB 3.88Å; N834-A869 CarbonylContact O-C 3.52Å; N834-A869 VanDerWaalsContact O-CA 3.22Å; N834-A869 WeakPolarHBondContact O-CA 3.35Å; N834-A869 WeakPolarHBondContact O-CB 3.37Å; V835-A869 HydrophobicContact CB-CB 4.5Å; V835-A869 HydrophobicContact CG2-CB 4.2Å |
| 870 | E | 89 | Confident | 72.8 | Confident | 21 Ų | 21 | 59 Ų | 59 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 175.7 | 179.6 | 60.8 | 176.1 | -157.1 | 0 | 0 | 110.3 | F833 N834 L836 R993 | F833-E870 CarbonylContact C-O 3.55Å; F833-E870 WeakPolarHBondContact CA-O 3.41Å; F833-E870 WeakPolarHBondContact CB-O 3.31Å; N834-E870 HydrophobicContact CB-CG 3.95Å; N834-E870 PolarHBondContact N-O 3.38Å; N834-E870 PolarHBondContact ND2-OE1 3.24Å; N834-E870 PolarHBondContact O-N 2.8Å; L836-E870 HydrophobicContact CD1-CB 4.27Å; L836-E870 HydrophobicContact CD1-CG 3.88Å; L836-E870 HydrophobicContact CD2-CG 4.05Å; L836-E870 HydrophobicContact CG-CG 3.84Å; E870-R993 IonicContact OE1-NH1 3.2Å; E870-R993 PolarHBondContact OE1-NH1 3.43Å; E870-R993 WeakPolarHBondContact OE2-CD 3.27Å; E870-R993 IonicContact OE2-CZ 3.16Å; E870-R993 IonicContact OE2-NE 2.68Å; E870-R993 IonicContact OE2-NH1 3.59Å; E870-R993 PolarHBondContact OE2-NH1 2.82Å |
| 871 | H | 86.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -68.9 | 144.2 | 169.1 | -77.2 | -71.5 | 0 | 0 | 0 | 111.6 | W804 L807 K808 Q873 R993 | W804-H871 AromaticContact CD1-CE1 3.38Å; W804-H871 AromaticContact CD1-ND1 3.44Å; W804-H871 AromaticContact CD2-CE1 3.98Å; W804-H871 AromaticContact CE2-CE1 3.82Å; W804-H871 AromaticContact CE2-ND1 3.89Å; W804-H871 AromaticContact CG-CE1 3.72Å; W804-H871 AromaticContact NE1-CE1 3.44Å; W804-H871 PolarHBondContact NE1-CE1 3.48Å; W804-H871 AromaticContact NE1-ND1 3.22Å; W804-H871 PolarHBondContact NE1-ND1 2.9Å; W804-H871 PolarHBondContact O-CE1 3.23Å; W804-H871 PolarHBondContact O-NE2 3.18Å; L807-H871 PolarHBondContact O-NE2 2.9Å; K808-H871 PolarHBondContact O-CD2 2.79Å; K808-H871 VanDerWaalsContact O-CD2 3.22Å; H871-Q873 PolarHBondContact O-N 3.32Å; H871-R993 VanDerWaalsContact O-CZ 3.3Å; H871-R993 PolarHBondContact O-NH1 2.93Å; H871-R993 PolarHBondContact O-NH2 3.05Å | ||
| 872 | Y | 77.7 | Confident | 70.5 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | trans | -57.1 | 133.1 | 171.6 | -77.2 | -70.5 | 0 | 0 | 0 | 112 | R830 F833 N834 P878 | R830-Y872 WeakPolarHBondContact O-CE2 3.43Å; R830-Y872 PolarHBondContact O-OH 2.98Å; F833-Y872 VanDerWaalsContact C-CE2 3.41Å; F833-Y872 WeakPolarHBondContact O-CE2 3.37Å; F833-Y872 VanDerWaalsContact O-CZ 3.3Å; F833-Y872 PolarHBondContact O-OH 3.41Å; N834-Y872 HydrophobicContact CB-CD1 3.71Å; N834-Y872 HydrophobicContact CB-CE1 3.81Å; N834-Y872 HydrophobicContact CB-CG 4.24Å; Y872-P878 WeakPolarHBondContact O-CB 3.45Å | ||
| 873 | Q | 60.3 | Low | 69.3 | Low | 131 Ų | 131 | 57.8 Ų | 57.8 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -89.8 | 105.8 | 168.8 | -63.5 | -176.6 | 0.6 | 0 | 0 | 108.2 | H871 | H871-Q873 PolarHBondContact O-N 3.32Š|
| 874 | G | 49.8 | Very low | 67.6 | Low | 33 Ų | 33 | 62.8 Ų | 62.8 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 111.3 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y876 P878 | G874-Y876 VanDerWaalsContact C-N 3.26Å; G874-Y876 PolarHBondContact O-N 2.93Å; G874-P878 VanDerWaalsContact O-CB 3.28Å; G874-P878 WeakPolarHBondContact O-CB 3.47Å; G874-P878 WeakPolarHBondContact O-CD 3.4Å; G874-P878 WeakPolarHBondContact O-CG 3.33Å |
| 875 | P | 41.4 | Very low | 66.5 | Low | 121 Ų | 121 | 64.5 Ų | 64.5 | 79% | 0.786 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 7.2 | -140.1 | 25.6 | -35.5 | 0 | 0 | 0 | 118.1 | ||
| 876 | Y | 43.5 | Very low | 65.2 | Low | 218 Ų | 218 | 67 Ų | 67 | 86% | 0.855 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.3 | -173.4 | -81.6 | -83.5 | 0 | 0 | 0 | 116.5 | G874 | G874-Y876 VanDerWaalsContact C-N 3.26Å; G874-Y876 PolarHBondContact O-N 2.93Å |
| 877 | R | 54.1 | Low | 64 | Low | 147 Ų | 147 | 67.6 Ų | 67.6 | 56% | 0.555 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 173.4 | 45.6 | 157 | -98 | 169 | -172.5 | -174.9 | 3.1 | 110.5 | E831 | E831-R877 PolarHBondContact O-NH1 3.41Š|
| 878 | P | 50.4 | Low | 62.7 | Low | 47 Ų | 47 | 75.6 Ų | 75.6 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | trans | -81.2 | 146.3 | -169.6 | 34.9 | -33.7 | 0 | 0 | 0 | 112.3 | Y872 G874 | Y872-P878 WeakPolarHBondContact O-CB 3.45Å; G874-P878 VanDerWaalsContact O-CB 3.28Å; G874-P878 WeakPolarHBondContact O-CB 3.47Å; G874-P878 WeakPolarHBondContact O-CD 3.4Å; G874-P878 WeakPolarHBondContact O-CG 3.33Å | ||
| 879 | K | 50.6 | Low | 61.7 | Low | 30 Ų | 30 | 77.4 Ų | 77.4 | 13% | 0.13 | 39% | 0.391 | C | S | . | . | trans | -82.9 | 101.8 | 146.2 | -75.5 | 176.3 | 168.9 | 171.1 | 0 | 105.9 | D763 W804 R805 L807 P809 D881 | D763-K879 WeakPolarHBondContact OD1-CD 3.49Å; D763-K879 WeakPolarHBondContact OD1-CE 3.45Å; D763-K879 IonicContact OD1-NZ 2.92Å; D763-K879 PolarHBondContact OD1-NZ 3.2Å; D763-K879 IonicContact OD2-NZ 2.84Å; W804-K879 HydrophobicContact CH2-CG 4.39Å; W804-K879 HydrophobicContact CZ2-CG 4.33Å; W804-K879 PolarHBondContact O-NZ 3.34Å; R805-K879 PolarHBondContact O-NZ 3.41Å; L807-K879 PolarHBondContact O-NZ 3.1Å; P809-K879 HydrophobicContact CB-CB 3.85Å; P809-K879 HydrophobicContact CG-CB 3.87Å; P809-K879 HydrophobicContact CG-CD 4.21Å; K879-D881 PolarHBondContact O-N 3.16Å | ||
| 880 | D | 48.4 | Very low | 61 | Low | 136 Ų | 136 | 78.6 Ų | 78.6 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | trans | -54.8 | 121.6 | -173.1 | -169.8 | 7 | 0 | 0 | 0 | 111.7 | G882 | D880-G882 PolarHBondContact OD1-N 3.48Å; D880-G882 VanDerWaalsContact OD1-N 3.09Å | ||
| 881 | D | 51.2 | Low | 60.5 | Low | 76 Ų | 76 | 80.8 Ų | 80.8 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | trans | -85.4 | -11.6 | 177 | 70.8 | 15 | 0 | 0 | 0 | 112.5 | K879 Y883 | K879-D881 PolarHBondContact O-N 3.16Å; D881-Y883 PolarHBondContact O-N 3.33Å; D881-Y883 PolarHBondContact OD1-N 3.35Å | ||
| 882 | G | 53.7 | Low | 60.2 | Low | 12 Ų | 12 | 84.8 Ų | 84.8 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | trans | 53.5 | 12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D880 A885 K886 | D880-G882 PolarHBondContact OD1-N 3.48Å; D880-G882 VanDerWaalsContact OD1-N 3.09Å; G882-A885 PolarHBondContact O-N 2.85Å; G882-K886 WeakPolarHBondContact O-CB 3.34Å; G882-K886 VanDerWaalsContact O-CG 3.24Å; G882-K886 WeakPolarHBondContact O-CG 3.39Å; G882-K886 PolarHBondContact O-N 2.7Å | ||
| 883 | Y | 55.2 | Low | 60.5 | Low | 38 Ų | 38 | 88.7 Ų | 88.7 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.8 | -48.5 | -162.9 | 178.5 | -93.3 | 0 | 0 | 0 | 112.1 | D881 G887 R992 | D881-Y883 PolarHBondContact O-N 3.33Å; D881-Y883 PolarHBondContact OD1-N 3.35Å; Y883-G887 PolarHBondContact O-N 3.08Å; Y883-R992 HydrophobicContact CD2-CG 3.97Å; Y883-R992 VanDerWaalsContact CE1-NE 3.3Å; Y883-R992 HydrophobicContact CE2-CG 3.76Å; Y883-R992 PolarHBondContact OH-NE 3.16Å |
| 884 | E | 53.3 | Low | 61.8 | Low | 145 Ų | 145 | 83.1 Ų | 83.1 | 68% | 0.678 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -70.9 | -32.7 | -179.4 | -68.8 | -166.7 | 159.6 | 0 | 0 | 112.9 | R888 | E884-R888 WeakPolarHBondContact O-CB 3.24Å; E884-R888 WeakPolarHBondContact O-CG 3.22Å; E884-R888 PolarHBondContact O-N 2.72Å; E884-R888 VanDerWaalsContact O-N 3.14Å; E884-R888 PolarHBondContact O-NE 3.09Å |
| 885 | A | 63.2 | Low | 63.6 | Low | 59 Ų | 59 | 81.6 Ų | 81.6 | 49% | 0.488 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70 | -47.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G882 R888 A889 | G882-A885 PolarHBondContact O-N 2.85Å; A885-R888 PolarHBondContact O-N 3.21Å; A885-A889 WeakPolarHBondContact O-CB 3.39Å; A885-A889 PolarHBondContact O-N 2.76Å |
| 886 | K | 65.4 | Low | 65.8 | Low | 109 Ų | 109 | 77.9 Ų | 77.9 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.7 | -71.9 | 179.8 | -177.3 | 174.6 | 0 | 112 | G882 A889 L890 Y988 | G882-K886 WeakPolarHBondContact O-CB 3.34Å; G882-K886 VanDerWaalsContact O-CG 3.24Å; G882-K886 WeakPolarHBondContact O-CG 3.39Å; G882-K886 PolarHBondContact O-N 2.7Å; K886-A889 PolarHBondContact O-N 3.44Å; K886-L890 WeakPolarHBondContact O-CB 3.37Å; K886-L890 PolarHBondContact O-N 3.25Å; K886-Y988 HydrophobicContact CB-CE1 3.89Å; K886-Y988 HydrophobicContact CD-CE1 3.9Å |
| 887 | G | 67.7 | Low | 68 | Low | 13 Ų | 13 | 71.1 Ų | 71.1 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y883 K891 | Y883-G887 PolarHBondContact O-N 3.08Å; G887-K891 PolarHBondContact O-N 2.97Å |
| 888 | R | 67.7 | Low | 69.7 | Low | 168 Ų | 168 | 64.3 Ų | 64.3 | 63% | 0.634 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.9 | -45 | 173.5 | -79.7 | -173.3 | -74.7 | 171.3 | -7.6 | 112.4 | E884 A885 L890 K891 Q892 | E884-R888 WeakPolarHBondContact O-CB 3.24Å; E884-R888 WeakPolarHBondContact O-CG 3.22Å; E884-R888 PolarHBondContact O-N 2.72Å; E884-R888 VanDerWaalsContact O-N 3.14Å; E884-R888 PolarHBondContact O-NE 3.09Å; A885-R888 PolarHBondContact O-N 3.21Å; R888-L890 VanDerWaalsContact C-N 3.33Å; R888-L890 PolarHBondContact O-N 3Å; R888-K891 PolarHBondContact O-N 2.8Å; R888-Q892 WeakPolarHBondContact O-CG 3.49Å; R888-Q892 PolarHBondContact O-N 2.91Å |
| 889 | A | 73.4 | Confident | 71.6 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 44% | 0.438 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A885 K886 Q892 H893 | A885-A889 WeakPolarHBondContact O-CB 3.39Å; A885-A889 PolarHBondContact O-N 2.76Å; K886-A889 PolarHBondContact O-N 3.44Å; A889-Q892 PolarHBondContact O-N 3.36Å; A889-H893 WeakPolarHBondContact O-CB 3.17Å; A889-H893 PolarHBondContact O-N 2.8Å |
| 890 | L | 78.3 | Confident | 73.4 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 175.7 | -175.7 | 70.5 | 0 | 0 | 0 | 111.1 | K886 R888 Q892 H893 V894 Y981 L984 Y988 | K886-L890 WeakPolarHBondContact O-CB 3.37Å; K886-L890 PolarHBondContact O-N 3.25Å; R888-L890 VanDerWaalsContact C-N 3.33Å; R888-L890 PolarHBondContact O-N 3Å; L890-Q892 VanDerWaalsContact C-N 3.32Å; L890-Q892 PolarHBondContact O-N 3.18Å; L890-H893 PolarHBondContact O-N 2.99Å; L890-V894 HydrophobicContact CD1-CG2 4.38Å; L890-V894 HydrophobicContact CG-CG2 4.44Å; L890-V894 VanDerWaalsContact O-CG2 3.3Å; L890-V894 WeakPolarHBondContact O-CG2 3.15Å; L890-V894 PolarHBondContact O-N 3Å; L890-Y981 HydrophobicContact CD2-CD2 4.31Å; L890-Y981 HydrophobicContact CD2-CE2 4.31Å; L890-Y981 HydrophobicContact CG-CD2 4.31Å; L890-Y981 HydrophobicContact CG-CE2 4.45Å; L890-L984 HydrophobicContact CD1-CB 4.3Å; L890-L984 HydrophobicContact CD1-CD1 4.07Å; L890-L984 HydrophobicContact CD2-CB 3.83Å; L890-L984 HydrophobicContact CG-CB 4.48Å; L890-Y988 HydrophobicContact CD1-CE2 4.33Å; L890-Y988 HydrophobicContact CD2-CD2 3.79Å; L890-Y988 HydrophobicContact CD2-CE2 3.96Å |
| 891 | K | 78.5 | Confident | 75.4 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.7 | -166.3 | 175.4 | 179.8 | -179.1 | 0 | 111.5 | G887 R888 H893 M895 Y981 | G887-K891 PolarHBondContact O-N 2.97Å; R888-K891 PolarHBondContact O-N 2.8Å; K891-H893 VanDerWaalsContact C-N 3.34Å; K891-M895 HydrophobicContact CG-CG 4.15Å; K891-M895 WeakPolarHBondContact O-CB 3.17Å; K891-M895 WeakPolarHBondContact O-CG 3.3Å; K891-M895 PolarHBondContact O-N 2.99Å; K891-Y981 HydrophobicContact CB-CD2 4.04Å; K891-Y981 HydrophobicContact CB-CE2 3.48Å; K891-Y981 VanDerWaalsContact CB-CE2 3.48Å; K891-Y981 HydrophobicContact CD-CE1 4.43Å; K891-Y981 HydrophobicContact CG-CD2 4.28Å; K891-Y981 HydrophobicContact CG-CE2 3.96Å |
| 892 | Q | 80.2 | Confident | 77.4 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.8 | -75.4 | 178.4 | -13.2 | 0 | 0 | 112.5 | R888 A889 L890 A896 A932 | R888-Q892 WeakPolarHBondContact O-CG 3.49Å; R888-Q892 PolarHBondContact O-N 2.91Å; A889-Q892 PolarHBondContact O-N 3.36Å; L890-Q892 VanDerWaalsContact C-N 3.32Å; L890-Q892 PolarHBondContact O-N 3.18Å; Q892-A896 PolarHBondContact O-N 3.21Å; Q892-A932 HydrophobicContact CG-CB 4.33Å; Q892-A932 VanDerWaalsContact CG-O 3.31Å; Q892-A932 WeakPolarHBondContact CG-O 3.4Å; Q892-A932 PolarHBondContact NE2-O 3.15Å |
| 893 | H | 84.5 | Confident | 79 | Confident | 150 Ų | 150 | 60.2 Ų | 60.2 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.9 | -47.4 | 179 | -169.1 | 69.9 | 0 | 0 | 0 | 111.8 | A889 L890 K891 M895 A896 | A889-H893 WeakPolarHBondContact O-CB 3.17Å; A889-H893 PolarHBondContact O-N 2.8Å; L890-H893 PolarHBondContact O-N 2.99Å; K891-H893 VanDerWaalsContact C-N 3.34Å; H893-M895 PolarHBondContact O-N 2.87Å; H893-A896 VanDerWaalsContact O-CB 3.27Å; H893-A896 WeakPolarHBondContact O-CB 3.41Å; H893-A896 PolarHBondContact O-N 2.98Å |
| 894 | V | 86.7 | Confident | 80.6 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 9% | 0.085 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 178.8 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | L890 A896 L977 Q980 L984 | L890-V894 HydrophobicContact CD1-CG2 4.38Å; L890-V894 HydrophobicContact CG-CG2 4.44Å; L890-V894 VanDerWaalsContact O-CG2 3.3Å; L890-V894 WeakPolarHBondContact O-CG2 3.15Å; L890-V894 PolarHBondContact O-N 3Å; V894-A896 VanDerWaalsContact C-N 3.3Å; V894-A896 PolarHBondContact O-N 3.37Å; V894-L977 HydrophobicContact CG1-CB 4.11Å; V894-L977 HydrophobicContact CG1-CD2 4.21Å; V894-L977 VanDerWaalsContact CG1-O 3.26Å; V894-L977 WeakPolarHBondContact CG1-O 3.22Å; V894-L977 WeakPolarHBondContact O-CD2 3.27Å; V894-Q980 HydrophobicContact CG1-CB 4.37Å; V894-L984 HydrophobicContact CG2-CD1 3.93Å |
| 895 | M | 88.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.4 | -179 | -63 | -67.3 | 158.2 | 0 | 0 | 114.3 | K891 H893 P897 L898 I899 Y974 L977 N978 | K891-M895 HydrophobicContact CG-CG 4.15Å; K891-M895 WeakPolarHBondContact O-CB 3.17Å; K891-M895 WeakPolarHBondContact O-CG 3.3Å; K891-M895 PolarHBondContact O-N 2.99Å; H893-M895 PolarHBondContact O-N 2.87Å; M895-P897 VanDerWaalsContact C-CD 3.4Å; M895-L898 PolarHBondContact O-N 3.14Å; M895-L898 VanDerWaalsContact O-N 3.16Å; M895-I899 HydrophobicContact CB-CD1 3.82Å; M895-I899 HydrophobicContact CB-CG1 4.32Å; M895-I899 WeakPolarHBondContact O-CG1 3.45Å; M895-I899 PolarHBondContact O-N 3.11Å; M895-I899 VanDerWaalsContact O-N 3.1Å; M895-Y974 HydrophobicContact CE-CE2 4.44Å; M895-Y974 HydrophobicContact SD-CD2 4.14Å; M895-Y974 HydrophobicContact SD-CE2 4.24Å; M895-L977 HydrophobicContact CE-CB 3.91Å; M895-L977 HydrophobicContact SD-CB 4.02Å; M895-L977 HydrophobicContact SD-CD1 4.42Å; M895-N978 HydrophobicContact CE-CB 4.39Å; M895-N978 WeakPolarHBondContact CE-OD1 3.23Å |
| 896 | A | 88.3 | Confident | 83.6 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -52.1 | -41.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q892 H893 V894 L898 I899 S900 | Q892-A896 PolarHBondContact O-N 3.21Å; H893-A896 VanDerWaalsContact O-CB 3.27Å; H893-A896 WeakPolarHBondContact O-CB 3.41Å; H893-A896 PolarHBondContact O-N 2.98Å; V894-A896 VanDerWaalsContact C-N 3.3Å; V894-A896 PolarHBondContact O-N 3.37Å; A896-L898 VanDerWaalsContact C-N 3.32Å; A896-L898 PolarHBondContact O-N 2.82Å; A896-I899 PolarHBondContact O-N 3.44Å; A896-S900 WeakPolarHBondContact O-CB 3.39Å; A896-S900 PolarHBondContact O-N 2.97Å; A896-S900 PolarHBondContact O-OG 3.37Å |
| 897 | P | 89.2 | Confident | 84.7 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | -179.4 | -23.6 | 34.7 | 0 | 0 | 0 | 114.4 | M895 S900 Y901 L977 | M895-P897 VanDerWaalsContact C-CD 3.4Å; P897-S900 PolarHBondContact O-OG 2.83Å; P897-S900 VanDerWaalsContact O-OG 3.09Å; P897-Y901 PolarHBondContact O-N 3.44Å; P897-L977 HydrophobicContact CG-CD1 4.49Å |
| 898 | L | 90.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.6 | -40.8 | 177 | -70.2 | 172.9 | 0 | 0 | 0 | 110.9 | M895 A896 S900 Y901 F902 W935 L970 T973 Y974 L977 | M895-L898 PolarHBondContact O-N 3.14Å; M895-L898 VanDerWaalsContact O-N 3.16Å; A896-L898 VanDerWaalsContact C-N 3.32Å; A896-L898 PolarHBondContact O-N 2.82Å; L898-S900 VanDerWaalsContact C-N 3.33Å; L898-S900 PolarHBondContact O-N 3.46Å; L898-Y901 WeakPolarHBondContact O-CB 3.42Å; L898-Y901 PolarHBondContact O-N 3.43Å; L898-F902 WeakPolarHBondContact O-CD2 3.41Å; L898-F902 PolarHBondContact O-N 2.95Å; L898-W935 HydrophobicContact CB-CH2 3.58Å; L898-W935 HydrophobicContact CB-CZ2 3.77Å; L898-W935 HydrophobicContact CB-CZ3 4.16Å; L898-W935 HydrophobicContact CD1-CH2 3.77Å; L898-W935 HydrophobicContact CD1-CZ3 3.99Å; L898-W935 HydrophobicContact CG-CH2 4.21Å; L898-L970 HydrophobicContact CD2-CD2 4Å; L898-T973 HydrophobicContact CD1-CG2 4.5Å; L898-T973 HydrophobicContact CD2-CG2 4.13Å; L898-T973 HydrophobicContact CG-CG2 4.25Å; L898-Y974 HydrophobicContact CD1-CD2 4Å; L898-Y974 HydrophobicContact CD1-CG 4.41Å; L898-L977 HydrophobicContact CD1-CD1 4Å; L898-L977 HydrophobicContact CG-CD1 4.15Å |
| 899 | I | 89 | Confident | 86.6 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 177.1 | -65.8 | 163.2 | 0 | 0 | 0 | 110.6 | M895 A896 R903 A932 W935 | M895-I899 HydrophobicContact CB-CD1 3.82Å; M895-I899 HydrophobicContact CB-CG1 4.32Å; M895-I899 WeakPolarHBondContact O-CG1 3.45Å; M895-I899 PolarHBondContact O-N 3.11Å; M895-I899 VanDerWaalsContact O-N 3.1Å; A896-I899 PolarHBondContact O-N 3.44Å; I899-R903 WeakPolarHBondContact O-CB 3.4Å; I899-R903 PolarHBondContact O-N 3.3Å; I899-A932 HydrophobicContact CD1-CB 4.47Å; I899-A932 HydrophobicContact CG2-CB 4.43Å; I899-W935 HydrophobicContact CD1-CB 4.2Å; I899-W935 HydrophobicContact CD1-CG 4.26Å; I899-W935 HydrophobicContact CG1-CB 4.03Å; I899-W935 HydrophobicContact CG1-CD2 3.94Å; I899-W935 HydrophobicContact CG1-CG 3.55Å |
| 900 | S | 88.7 | Confident | 87.2 | Confident | 36 Ų | 36 | 48 Ų | 48 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.3 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | A896 P897 L898 F902 R903 D904 | A896-S900 WeakPolarHBondContact O-CB 3.39Å; A896-S900 PolarHBondContact O-N 2.97Å; A896-S900 PolarHBondContact O-OG 3.37Å; P897-S900 PolarHBondContact O-OG 2.83Å; P897-S900 VanDerWaalsContact O-OG 3.09Å; L898-S900 VanDerWaalsContact C-N 3.33Å; L898-S900 PolarHBondContact O-N 3.46Å; S900-F902 PolarHBondContact O-N 3.37Å; S900-R903 PolarHBondContact O-N 3.05Å; S900-D904 WeakPolarHBondContact O-CB 3.42Å; S900-D904 PolarHBondContact O-N 3.49Å |
| 901 | Y | 91.7 | Very high | 87.7 | Confident | 41 Ų | 41 | 47 Ų | 47 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.3 | -49.7 | 178.7 | 177.9 | -110.2 | 0 | 0 | 0 | 112.9 | P897 L898 A905 Y943 L963 E964 K965 L970 | P897-Y901 PolarHBondContact O-N 3.44Å; L898-Y901 WeakPolarHBondContact O-CB 3.42Å; L898-Y901 PolarHBondContact O-N 3.43Å; Y901-A905 WeakPolarHBondContact O-CB 3.48Å; Y901-A905 PolarHBondContact O-N 3.12Å; Y901-Y943 PolarHBondContact OH-OH 3.01Å; Y901-L963 HydrophobicContact CD1-CD2 4.41Å; Y901-L963 HydrophobicContact CE1-CD2 3.76Å; Y901-L963 WeakPolarHBondContact OH-CA 3.34Å; Y901-E964 PolarHBondContact OH-N 3.47Å; Y901-E964 VanDerWaalsContact OH-N 3.13Å; Y901-K965 HydrophobicContact CD2-CD 4.43Å; Y901-K965 HydrophobicContact CE2-CD 4.01Å; Y901-K965 HydrophobicContact CE2-CG 4.11Å; Y901-K965 PolarHBondContact OH-N 2.85Å; Y901-K965 VanDerWaalsContact OH-N 3.09Å; Y901-L970 HydrophobicContact CD1-CD2 4.02Å; Y901-L970 HydrophobicContact CE1-CD1 4.05Å; Y901-L970 HydrophobicContact CE1-CD2 3.95Å |
| 902 | F | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73 | -45.3 | 178.8 | -76.9 | -84.4 | 0 | 0 | 0 | 112.5 | L898 S900 R906 W929 F930 W935 L937 P938 Y943 L963 L970 | L898-F902 WeakPolarHBondContact O-CD2 3.41Å; L898-F902 PolarHBondContact O-N 2.95Å; S900-F902 PolarHBondContact O-N 3.37Å; F902-R906 WeakPolarHBondContact O-CB 3.42Å; F902-R906 PolarHBondContact O-N 3.07Å; F902-R906 VanDerWaalsContact O-N 3.08Å; F902-W929 WeakPolarHBondContact CB-O 3.37Å; F902-F930 HydrophobicContact CB-CD1 3.79Å; F902-F930 HydrophobicContact CB-CE1 3.83Å; F902-F930 AromaticContact CD1-CE1 3.96Å; F902-F930 HydrophobicContact CD1-CE1 3.96Å; F902-F930 HydrophobicContact CD1-CZ 4.05Å; F902-F930 HydrophobicContact CG-CE1 4.41Å; F902-F930 VanDerWaalsContact O-CD1 3.23Å; F902-F930 WeakPolarHBondContact O-CD1 3.45Å; F902-F930 VanDerWaalsContact O-CE1 3.28Å; F902-F930 WeakPolarHBondContact O-CE1 3.3Å; F902-W935 AromaticContact CD2-CZ2 3.79Å; F902-W935 HydrophobicContact CD2-CZ2 3.79Å; F902-W935 AromaticContact CE2-CZ2 3.87Å; F902-W935 HydrophobicContact CE2-CZ2 3.87Å; F902-L937 HydrophobicContact CE2-CD1 3.92Å; F902-L937 HydrophobicContact CZ-CD1 4.11Å; F902-P938 HydrophobicContact CE1-CG 3.92Å; F902-P938 HydrophobicContact CZ-CG 4Å; F902-Y943 AromaticContact CE1-CD2 3.79Å; F902-Y943 HydrophobicContact CE1-CD2 3.79Å; F902-Y943 AromaticContact CE1-CE2 3.66Å; F902-Y943 HydrophobicContact CE1-CE2 3.66Å; F902-Y943 AromaticContact CZ-CD2 3.83Å; F902-Y943 HydrophobicContact CZ-CD2 3.83Å; F902-Y943 AromaticContact CZ-CE2 3.65Å; F902-Y943 HydrophobicContact CZ-CE2 3.65Å; F902-L963 HydrophobicContact CD1-CD2 4.24Å; F902-L963 HydrophobicContact CE1-CD1 4.32Å; F902-L963 HydrophobicContact CE1-CD2 4.41Å; F902-L970 HydrophobicContact CE2-CD1 4.4Å; F902-L970 HydrophobicContact CZ-CD1 4.07Å |
| 903 | R | 88.8 | Confident | 88.6 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | -176.9 | -176.7 | -166.6 | 65.7 | -163.4 | -5.1 | 111.6 | I899 S900 R906 A907 | I899-R903 WeakPolarHBondContact O-CB 3.4Å; I899-R903 PolarHBondContact O-N 3.3Å; S900-R903 PolarHBondContact O-N 3.05Å; R903-R906 PolarHBondContact O-N 3.42Å; R903-A907 WeakPolarHBondContact O-CB 3.31Å; R903-A907 PolarHBondContact O-N 3.37Å |
| 904 | D | 89.2 | Confident | 88.8 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.9 | -37.5 | -174 | -58.1 | -13.2 | 0 | 0 | 0 | 110.3 | S900 R906 A907 A908 | S900-D904 WeakPolarHBondContact O-CB 3.42Å; S900-D904 PolarHBondContact O-N 3.49Å; D904-R906 PolarHBondContact O-N 2.99Å; D904-A907 PolarHBondContact O-N 3.04Å; D904-A908 WeakPolarHBondContact O-CB 3.46Å; D904-A908 PolarHBondContact O-N 3.01Å |
| 905 | A | 89.4 | Confident | 88.9 | Confident | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y901 A908 L909 F950 L963 | Y901-A905 WeakPolarHBondContact O-CB 3.48Å; Y901-A905 PolarHBondContact O-N 3.12Å; A905-A908 PolarHBondContact O-N 3.29Å; A905-L909 PolarHBondContact O-N 3.32Å; A905-F950 HydrophobicContact CB-CD1 4.11Å; A905-F950 HydrophobicContact CB-CE1 3.66Å; A905-L963 HydrophobicContact CB-CD2 3.87Å |
| 906 | R | 89.6 | Confident | 89 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 26% | 0.26 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.6 | -179.4 | -179.9 | 170.2 | -158.9 | -9 | 111.9 | F902 R903 D904 G910 I911 I916 F930 F950 | F902-R906 WeakPolarHBondContact O-CB 3.42Å; F902-R906 PolarHBondContact O-N 3.07Å; F902-R906 VanDerWaalsContact O-N 3.08Å; R903-R906 PolarHBondContact O-N 3.42Å; D904-R906 PolarHBondContact O-N 2.99Å; R906-G910 PolarHBondContact O-N 2.94Å; R906-I911 HydrophobicContact CG-CB 4.31Å; R906-I911 WeakPolarHBondContact CG-O 3.38Å; R906-I911 PolarHBondContact NE-O 3.38Å; R906-I911 PolarHBondContact O-N 3.26Å; R906-I911 VanDerWaalsContact O-N 3.16Å; R906-I916 HydrophobicContact CG-CD1 4.4Å; R906-F930 HydrophobicContact CB-CD1 3.64Å; R906-F930 HydrophobicContact CB-CE1 3.83Å; R906-F930 HydrophobicContact CG-CD1 4.21Å; R906-F950 HydrophobicContact CB-CE1 4.43Å; R906-F950 HydrophobicContact CB-CZ 4.13Å |
| 907 | A | 87.4 | Confident | 88.9 | Confident | 73 Ų | 73 | 46.2 Ų | 46.2 | 60% | 0.603 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R903 D904 L909 G910 | R903-A907 WeakPolarHBondContact O-CB 3.31Å; R903-A907 PolarHBondContact O-N 3.37Å; D904-A907 PolarHBondContact O-N 3.04Å; A907-L909 PolarHBondContact O-N 3.19Å; A907-G910 PolarHBondContact O-N 3.33Å |
| 908 | A | 87.1 | Confident | 88.9 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D904 A905 Q959 | D904-A908 WeakPolarHBondContact O-CB 3.46Å; D904-A908 PolarHBondContact O-N 3.01Å; A905-A908 PolarHBondContact O-N 3.29Å; A908-Q959 PolarHBondContact O-OE1 3.24Å |
| 909 | L | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.3 | -179.2 | -64.9 | 180 | 0 | 0 | 0 | 113.9 | A905 A907 I911 F950 V953 A954 K957 Q959 G961 | A905-L909 PolarHBondContact O-N 3.32Å; A907-L909 PolarHBondContact O-N 3.19Å; L909-I911 VanDerWaalsContact C-N 3.25Å; L909-I911 HydrophobicContact CB-CD1 3.82Å; L909-I911 HydrophobicContact CB-CG1 3.78Å; L909-I911 HydrophobicContact CD1-CD1 3.91Å; L909-I911 PolarHBondContact O-N 3.46Å; L909-F950 HydrophobicContact CD1-CB 4.14Å; L909-F950 HydrophobicContact CD1-CD1 3.89Å; L909-F950 HydrophobicContact CD1-CG 4.27Å; L909-F950 WeakPolarHBondContact CD1-O 3.49Å; L909-V953 HydrophobicContact CB-CG1 4.14Å; L909-A954 HydrophobicContact CD1-CB 4.04Å; L909-A954 HydrophobicContact CD2-CB 3.9Å; L909-K957 WeakPolarHBondContact O-CE 3.31Å; L909-K957 PolarHBondContact O-NZ 3.44Å; L909-Q959 HydrophobicContact CD2-CB 4.18Å; L909-G961 VanDerWaalsContact CD1-O 3.28Å; L909-G961 WeakPolarHBondContact CD1-O 3.14Å |
| 910 | G | 87 | Confident | 88.6 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 36.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | R906 A907 T912 | R906-G910 PolarHBondContact O-N 2.94Å; A907-G910 PolarHBondContact O-N 3.33Å; G910-T912 PolarHBondContact O-N 2.87Å |
| 911 | I | 88.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | trans | -76 | 124.5 | -176.6 | -65.6 | 171 | 0 | 0 | 0 | 110.1 | R906 L909 Q915 I916 L949 F950 V953 | R906-I911 HydrophobicContact CG-CB 4.31Å; R906-I911 WeakPolarHBondContact CG-O 3.38Å; R906-I911 PolarHBondContact NE-O 3.38Å; R906-I911 PolarHBondContact O-N 3.26Å; R906-I911 VanDerWaalsContact O-N 3.16Å; L909-I911 VanDerWaalsContact C-N 3.25Å; L909-I911 HydrophobicContact CB-CD1 3.82Å; L909-I911 HydrophobicContact CB-CG1 3.78Å; L909-I911 HydrophobicContact CD1-CD1 3.91Å; L909-I911 PolarHBondContact O-N 3.46Å; I911-Q915 HydrophobicContact CG2-CB 4.12Å; I911-I916 HydrophobicContact CG2-CD1 4.01Å; I911-I916 HydrophobicContact CG2-CG1 3.72Å; I911-L949 HydrophobicContact CG2-CD2 4.08Å; I911-F950 HydrophobicContact CD1-CB 4.31Å; I911-F950 HydrophobicContact CD1-CD1 3.77Å; I911-F950 HydrophobicContact CD1-CD2 3.42Å; I911-F950 VanDerWaalsContact CD1-CD2 3.42Å; I911-F950 HydrophobicContact CD1-CE1 3.86Å; I911-F950 HydrophobicContact CD1-CE2 3.53Å; I911-F950 HydrophobicContact CD1-CG 3.56Å; I911-F950 HydrophobicContact CD1-CZ 3.74Å; I911-F950 HydrophobicContact CG2-CE2 4.43Å; I911-V953 HydrophobicContact CD1-CB 4.25Å; I911-V953 HydrophobicContact CD1-CG1 4.41Å; I911-V953 HydrophobicContact CD1-CG2 4.44Å; I911-V953 HydrophobicContact CG1-CB 4.27Å; I911-V953 HydrophobicContact CG1-CG1 3.98Å; I911-V953 HydrophobicContact CG1-CG2 4.32Å | ||
| 912 | T | 90.2 | Very high | 88 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | trans | -76.3 | 153.4 | -177.8 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | G910 K914 Q915 I916 | G910-T912 PolarHBondContact O-N 2.87Å; T912-K914 PolarHBondContact O-N 2.63Å; T912-Q915 PolarHBondContact O-N 3.25Å; T912-Q915 WeakPolarHBondContact OG1-CG 3.26Å; T912-Q915 PolarHBondContact OG1-N 2.61Å; T912-Q915 PolarHBondContact OG1-OE1 2.76Å; T912-I916 PolarHBondContact O-N 2.72Å | ||
| 913 | A | 87.1 | Confident | 87.4 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 37% | 0.372 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -30.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I916 A917 V926 | A913-I916 PolarHBondContact O-N 2.83Å; A913-A917 WeakPolarHBondContact O-CB 3.32Å; A913-A917 PolarHBondContact O-N 3.08Å; A913-V926 HydrophobicContact CB-CG1 3.87Å |
| 914 | K | 87.8 | Confident | 87 | Confident | 155 Ų | 155 | 61.5 Ų | 61.5 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -49.3 | 175.9 | -173.1 | 179.4 | 176.3 | -175.2 | 0 | 111.6 | T912 I916 A917 D918 | T912-K914 PolarHBondContact O-N 2.63Å; K914-I916 VanDerWaalsContact C-N 3.29Å; K914-I916 PolarHBondContact O-N 3.43Å; K914-A917 PolarHBondContact O-N 3.16Å; K914-A917 VanDerWaalsContact O-N 3.13Å; K914-D918 WeakPolarHBondContact O-CB 3.48Å; K914-D918 PolarHBondContact O-N 2.68Å |
| 915 | Q | 89.6 | Confident | 86.8 | Confident | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 176.8 | -74.6 | 165.9 | -59.4 | 0 | 0 | 112.4 | I911 T912 D918 V919 L949 | I911-Q915 HydrophobicContact CG2-CB 4.12Å; T912-Q915 PolarHBondContact O-N 3.25Å; T912-Q915 WeakPolarHBondContact OG1-CG 3.26Å; T912-Q915 PolarHBondContact OG1-N 2.61Å; T912-Q915 PolarHBondContact OG1-OE1 2.76Å; Q915-D918 PolarHBondContact O-N 3.1Å; Q915-V919 WeakPolarHBondContact O-CG2 3.4Å; Q915-V919 PolarHBondContact O-N 2.89Å; Q915-L949 HydrophobicContact CB-CD1 4.37Å; Q915-L949 HydrophobicContact CB-CD2 4.26Å |
| 916 | I | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 177.2 | -65.5 | 164.3 | 0 | 0 | 0 | 111 | R906 I911 T912 A913 K914 D918 S920 V926 W929 F930 L946 L949 | R906-I916 HydrophobicContact CG-CD1 4.4Å; I911-I916 HydrophobicContact CG2-CD1 4.01Å; I911-I916 HydrophobicContact CG2-CG1 3.72Å; T912-I916 PolarHBondContact O-N 2.72Å; A913-I916 PolarHBondContact O-N 2.83Å; K914-I916 VanDerWaalsContact C-N 3.29Å; K914-I916 PolarHBondContact O-N 3.43Å; I916-D918 VanDerWaalsContact C-N 3.35Å; I916-S920 WeakPolarHBondContact O-CB 3.44Å; I916-S920 PolarHBondContact O-N 2.82Å; I916-S920 PolarHBondContact O-OG 3.41Å; I916-V926 HydrophobicContact CB-CG1 4.29Å; I916-V926 HydrophobicContact CB-CG2 4.15Å; I916-V926 HydrophobicContact CD1-CG1 4.02Å; I916-V926 HydrophobicContact CG2-CB 4.47Å; I916-V926 HydrophobicContact CG2-CG1 4.22Å; I916-V926 HydrophobicContact CG2-CG2 3.8Å; I916-W929 HydrophobicContact CG2-CE3 4.22Å; I916-W929 HydrophobicContact CG2-CZ3 4.2Å; I916-F930 HydrophobicContact CD1-CD2 3.92Å; I916-F930 HydrophobicContact CD1-CE2 3.68Å; I916-F930 HydrophobicContact CD1-CZ 4.05Å; I916-F930 HydrophobicContact CG1-CE2 4.43Å; I916-F930 HydrophobicContact CG2-CE2 4.16Å; I916-L946 HydrophobicContact CG1-CD2 4.37Å; I916-L946 HydrophobicContact CG2-CD2 3.73Å; I916-L949 HydrophobicContact CG1-CD2 4.14Å |
| 917 | A | 87.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A913 K914 G921 K923 V926 | A913-A917 WeakPolarHBondContact O-CB 3.32Å; A913-A917 PolarHBondContact O-N 3.08Å; K914-A917 PolarHBondContact O-N 3.16Å; K914-A917 VanDerWaalsContact O-N 3.13Å; A917-G921 WeakPolarHBondContact O-CA 3.02Å; A917-G921 PolarHBondContact O-N 3.21Å; A917-K923 HydrophobicContact CB-CB 4.41Å; A917-K923 HydrophobicContact CB-CG 3.84Å; A917-V926 HydrophobicContact CB-CG2 4.28Å |
| 918 | D | 87.8 | Confident | 86.1 | Confident | 107 Ų | 107 | 57.6 Ų | 57.6 | 57% | 0.572 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.1 | -38.9 | -179.7 | -67.4 | -17.5 | 0 | 0 | 0 | 111.5 | K914 Q915 I916 | K914-D918 WeakPolarHBondContact O-CB 3.48Å; K914-D918 PolarHBondContact O-N 2.68Å; Q915-D918 PolarHBondContact O-N 3.1Å; I916-D918 VanDerWaalsContact C-N 3.35Å |
| 919 | V | 88.5 | Confident | 86.2 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -80.1 | -38.9 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | Q915 K945 L949 | Q915-V919 WeakPolarHBondContact O-CG2 3.4Å; Q915-V919 PolarHBondContact O-N 2.89Å; V919-K945 HydrophobicContact CG1-CB 3.93Å; V919-K945 HydrophobicContact CG1-CG 4.48Å; V919-L949 HydrophobicContact CB-CD2 4.43Å; V919-L949 HydrophobicContact CG1-CB 4.47Å; V919-L949 HydrophobicContact CG2-CB 4.26Å; V919-L949 HydrophobicContact CG2-CD1 4.07Å; V919-L949 HydrophobicContact CG2-CD2 4.1Å; V919-L949 HydrophobicContact CG2-CG 4.37Å |
| 920 | S | 84.1 | Confident | 86.2 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80 | -25.5 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | I916 K922 | I916-S920 WeakPolarHBondContact O-CB 3.44Å; I916-S920 PolarHBondContact O-N 2.82Å; I916-S920 PolarHBondContact O-OG 3.41Å; S920-K922 PolarHBondContact O-N 3.42Å; S920-K922 PolarHBondContact OG-N 3.26Å |
| 921 | G | 84.6 | Confident | 86 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 74.1 | 3.7 | -169 | 0 | 0 | 0 | 0 | 0 | 113.9 | A917 | A917-G921 WeakPolarHBondContact O-CA 3.02Å; A917-G921 PolarHBondContact O-N 3.21Å |
| 922 | K | 83.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | trans | -121 | 77.3 | -170.6 | -64.1 | -179.3 | -175.1 | 171.1 | 0 | 112 | S920 N924 M925 W929 D942 | S920-K922 PolarHBondContact O-N 3.42Å; S920-K922 PolarHBondContact OG-N 3.26Å; K922-N924 PolarHBondContact O-N 3.36Å; K922-N924 VanDerWaalsContact O-N 3.07Å; K922-M925 HydrophobicContact CB-CB 3.97Å; K922-M925 HydrophobicContact CB-CG 3.77Å; K922-M925 HydrophobicContact CD-CG 4.01Å; K922-M925 HydrophobicContact CG-CG 4.45Å; K922-M925 PolarHBondContact O-N 2.84Å; K922-W929 HydrophobicContact CB-CH2 4.38Å; K922-W929 HydrophobicContact CD-CH2 4.3Å; K922-W929 HydrophobicContact CD-CZ2 4.42Å; K922-D942 IonicContact NZ-OD1 3.67Å; K922-D942 IonicContact NZ-OD2 3.15Å; K922-D942 PolarHBondContact NZ-OD2 3.2Å | ||
| 923 | K | 78.7 | Confident | 84.6 | Confident | 164 Ų | 164 | 57.7 Ų | 57.7 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -49.9 | -36.9 | -179.7 | -72.9 | 177.4 | -179.7 | 179.7 | 0 | 114.1 | A917 | A917-K923 HydrophobicContact CB-CB 4.41Å; A917-K923 HydrophobicContact CB-CG 3.84Å |
| 924 | N | 81.1 | Confident | 84 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 70% | 0.695 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -79.9 | -15.1 | -175.7 | -63 | -14.5 | 0 | 0 | 0 | 113.6 | K922 S927 H928 | K922-N924 PolarHBondContact O-N 3.36Å; K922-N924 VanDerWaalsContact O-N 3.07Å; N924-S927 PolarHBondContact O-OG 2.8Å; N924-H928 PolarHBondContact O-CD2 3.45Å; N924-H928 VanDerWaalsContact O-CD2 3.27Å |
| 925 | M | 84.7 | Confident | 83.9 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -88.6 | -13.8 | -172.6 | -67.2 | -66.1 | 96.9 | 0 | 0 | 114.4 | K922 S927 H928 W929 | K922-M925 HydrophobicContact CB-CB 3.97Å; K922-M925 HydrophobicContact CB-CG 3.77Å; K922-M925 HydrophobicContact CD-CG 4.01Å; K922-M925 HydrophobicContact CG-CG 4.45Å; K922-M925 PolarHBondContact O-N 2.84Å; M925-S927 VanDerWaalsContact C-N 3.27Å; M925-S927 PolarHBondContact O-N 2.73Å; M925-H928 WeakPolarHBondContact CE-CD2 3.44Å; M925-H928 PolarHBondContact O-N 3.3Å; M925-W929 HydrophobicContact CB-CD2 4Å; M925-W929 HydrophobicContact CB-CE3 4.19Å; M925-W929 HydrophobicContact CB-CH2 3.73Å; M925-W929 HydrophobicContact CB-CZ2 3.49Å; M925-W929 VanDerWaalsContact CB-CZ2 3.49Å; M925-W929 HydrophobicContact CB-CZ3 4.06Å; M925-W929 HydrophobicContact CG-CH2 4.47Å; M925-W929 HydrophobicContact CG-CZ2 4.03Å; M925-W929 PolarHBondContact O-N 2.73Å |
| 926 | V | 84 | Confident | 83.7 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | -178.2 | -172.2 | 0 | 0 | 0 | 0 | 112 | A913 I916 A917 F930 | A913-V926 HydrophobicContact CB-CG1 3.87Å; I916-V926 HydrophobicContact CB-CG1 4.29Å; I916-V926 HydrophobicContact CB-CG2 4.15Å; I916-V926 HydrophobicContact CD1-CG1 4.02Å; I916-V926 HydrophobicContact CG2-CB 4.47Å; I916-V926 HydrophobicContact CG2-CG1 4.22Å; I916-V926 HydrophobicContact CG2-CG2 3.8Å; A917-V926 HydrophobicContact CB-CG2 4.28Å; V926-F930 HydrophobicContact CG1-CD2 4.35Å; V926-F930 PolarHBondContact O-N 3.06Å; V926-F930 VanDerWaalsContact O-N 3.14Å |
| 927 | S | 84.2 | Confident | 83.7 | Confident | 62 Ų | 62 | 58 Ų | 58 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 175.7 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | N924 M925 W929 S931 | N924-S927 PolarHBondContact O-OG 2.8Å; M925-S927 VanDerWaalsContact C-N 3.27Å; M925-S927 PolarHBondContact O-N 2.73Å; S927-W929 VanDerWaalsContact C-N 3.34Å; S927-W929 PolarHBondContact O-N 3.35Å; S927-S931 WeakPolarHBondContact O-CA 3.41Å; S927-S931 WeakPolarHBondContact O-CB 3.36Å; S927-S931 PolarHBondContact O-N 2.86Å; S927-S931 PolarHBondContact O-OG 2.82Å |
| 928 | H | 85 | Confident | 83.9 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.8 | -27.4 | 179.4 | -64.9 | -85.4 | 0 | 0 | 0 | 113.1 | N924 M925 Q934 W935 Q936 | N924-H928 PolarHBondContact O-CD2 3.45Å; N924-H928 VanDerWaalsContact O-CD2 3.27Å; M925-H928 WeakPolarHBondContact CE-CD2 3.44Å; M925-H928 PolarHBondContact O-N 3.3Å; H928-Q934 PolarHBondContact CE1-OE1 2.92Å; H928-Q934 WeakPolarHBondContact ND1-CB 3.44Å; H928-Q934 PolarHBondContact ND1-O 3.5Å; H928-W935 CarbonylContact O-C 3.6Å; H928-W935 WeakPolarHBondContact O-CA 3.36Å; H928-W935 VanDerWaalsContact O-CD1 3.25Å; H928-Q936 PolarHBondContact O-N 3.17Å |
| 929 | W | 88.7 | Confident | 84 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 2% | 0.023 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -90.6 | -31.3 | -179.8 | -58.8 | -27.3 | 0 | 0 | 0 | 113.7 | F902 I916 K922 M925 S927 W935 P938 D942 L946 | F902-W929 WeakPolarHBondContact CB-O 3.37Å; I916-W929 HydrophobicContact CG2-CE3 4.22Å; I916-W929 HydrophobicContact CG2-CZ3 4.2Å; K922-W929 HydrophobicContact CB-CH2 4.38Å; K922-W929 HydrophobicContact CD-CH2 4.3Å; K922-W929 HydrophobicContact CD-CZ2 4.42Å; M925-W929 HydrophobicContact CB-CD2 4Å; M925-W929 HydrophobicContact CB-CE3 4.19Å; M925-W929 HydrophobicContact CB-CH2 3.73Å; M925-W929 HydrophobicContact CB-CZ2 3.49Å; M925-W929 VanDerWaalsContact CB-CZ2 3.49Å; M925-W929 HydrophobicContact CB-CZ3 4.06Å; M925-W929 HydrophobicContact CG-CH2 4.47Å; M925-W929 HydrophobicContact CG-CZ2 4.03Å; M925-W929 PolarHBondContact O-N 2.73Å; S927-W929 VanDerWaalsContact C-N 3.34Å; S927-W929 PolarHBondContact O-N 3.35Å; W929-W935 PolarHBondContact O-NE1 3.23Å; W929-P938 HydrophobicContact CB-CG 4.25Å; W929-P938 HydrophobicContact CD2-CB 4.4Å; W929-P938 HydrophobicContact CD2-CG 4.02Å; W929-P938 HydrophobicContact CG-CG 3.75Å; W929-P938 HydrophobicContact CZ2-CB 4.44Å; W929-D942 HydrophobicContact CH2-CB 3.99Å; W929-D942 HydrophobicContact CZ2-CB 4.05Å; W929-L946 HydrophobicContact CE3-CD1 4.17Å; W929-L946 HydrophobicContact CZ3-CD1 4.45Å |
| 930 | F | 88.4 | Confident | 84.2 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -120.4 | 4.6 | -169.3 | -65.7 | -86 | 0 | 0 | 0 | 114.5 | F902 R906 I916 V926 L946 F950 | F902-F930 HydrophobicContact CB-CD1 3.79Å; F902-F930 HydrophobicContact CB-CE1 3.83Å; F902-F930 AromaticContact CD1-CE1 3.96Å; F902-F930 HydrophobicContact CD1-CE1 3.96Å; F902-F930 HydrophobicContact CD1-CZ 4.05Å; F902-F930 HydrophobicContact CG-CE1 4.41Å; F902-F930 VanDerWaalsContact O-CD1 3.23Å; F902-F930 WeakPolarHBondContact O-CD1 3.45Å; F902-F930 VanDerWaalsContact O-CE1 3.28Å; F902-F930 WeakPolarHBondContact O-CE1 3.3Å; R906-F930 HydrophobicContact CB-CD1 3.64Å; R906-F930 HydrophobicContact CB-CE1 3.83Å; R906-F930 HydrophobicContact CG-CD1 4.21Å; I916-F930 HydrophobicContact CD1-CD2 3.92Å; I916-F930 HydrophobicContact CD1-CE2 3.68Å; I916-F930 HydrophobicContact CD1-CZ 4.05Å; I916-F930 HydrophobicContact CG1-CE2 4.43Å; I916-F930 HydrophobicContact CG2-CE2 4.16Å; V926-F930 HydrophobicContact CG1-CD2 4.35Å; V926-F930 PolarHBondContact O-N 3.06Å; V926-F930 VanDerWaalsContact O-N 3.14Å; F930-L946 HydrophobicContact CE2-CD1 4.36Å; F930-L946 HydrophobicContact CE2-CD2 4.28Å; F930-L946 HydrophobicContact CZ-CD1 4.31Å; F930-L946 HydrophobicContact CZ-CD2 4.28Å; F930-F950 HydrophobicContact CE1-CE2 4.43Å; F930-F950 AromaticContact CE1-CZ 3.68Å; F930-F950 HydrophobicContact CE1-CZ 3.68Å; F930-F950 HydrophobicContact CZ-CE2 4.1Å; F930-F950 AromaticContact CZ-CZ 3.8Å; F930-F950 HydrophobicContact CZ-CZ 3.8Å |
| 931 | S | 82.4 | Confident | 84.5 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -122.8 | 157.1 | 176.4 | 92.3 | 0 | 0 | 0 | 0 | 112.2 | S927 S933 | S927-S931 WeakPolarHBondContact O-CA 3.41Å; S927-S931 WeakPolarHBondContact O-CB 3.36Å; S927-S931 PolarHBondContact O-N 2.86Å; S927-S931 PolarHBondContact O-OG 2.82Å; S931-S933 PolarHBondContact O-N 2.78Å; S931-S933 PolarHBondContact OG-N 2.9Å; S931-S933 PolarHBondContact OG-O 3.02Å |
| 932 | A | 77.8 | Confident | 84.8 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -71.5 | -13.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q892 I899 | Q892-A932 HydrophobicContact CG-CB 4.33Å; Q892-A932 VanDerWaalsContact CG-O 3.31Å; Q892-A932 WeakPolarHBondContact CG-O 3.4Å; Q892-A932 PolarHBondContact NE2-O 3.15Å; I899-A932 HydrophobicContact CD1-CB 4.47Å; I899-A932 HydrophobicContact CG2-CB 4.43Å |
| 933 | S | 72.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -88.7 | 126.5 | 179.7 | -168.2 | 0 | 0 | 0 | 0 | 110.2 | S931 W935 | S931-S933 PolarHBondContact O-N 2.78Å; S931-S933 PolarHBondContact OG-N 2.9Å; S931-S933 PolarHBondContact OG-O 3.02Å; S933-W935 PolarHBondContact O-N 2.98Å |
| 934 | Q | 72.9 | Confident | 85.9 | Confident | 140 Ų | 140 | 54.3 Ų | 54.3 | 65% | 0.654 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 53.7 | 35.8 | 177.4 | -59.4 | -177.8 | -15.8 | 0 | 0 | 114.1 | H928 | H928-Q934 PolarHBondContact CE1-OE1 2.92Å; H928-Q934 WeakPolarHBondContact ND1-CB 3.44Å; H928-Q934 PolarHBondContact ND1-O 3.5Å |
| 935 | W | 86.2 | Confident | 86.3 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | trans | -59.3 | 139.1 | -174 | -169.6 | 88.4 | 0 | 0 | 0 | 113.3 | L898 I899 F902 H928 W929 S933 L937 Y974 | L898-W935 HydrophobicContact CB-CH2 3.58Å; L898-W935 HydrophobicContact CB-CZ2 3.77Å; L898-W935 HydrophobicContact CB-CZ3 4.16Å; L898-W935 HydrophobicContact CD1-CH2 3.77Å; L898-W935 HydrophobicContact CD1-CZ3 3.99Å; L898-W935 HydrophobicContact CG-CH2 4.21Å; I899-W935 HydrophobicContact CD1-CB 4.2Å; I899-W935 HydrophobicContact CD1-CG 4.26Å; I899-W935 HydrophobicContact CG1-CB 4.03Å; I899-W935 HydrophobicContact CG1-CD2 3.94Å; I899-W935 HydrophobicContact CG1-CG 3.55Å; F902-W935 AromaticContact CD2-CZ2 3.79Å; F902-W935 HydrophobicContact CD2-CZ2 3.79Å; F902-W935 AromaticContact CE2-CZ2 3.87Å; F902-W935 HydrophobicContact CE2-CZ2 3.87Å; H928-W935 CarbonylContact O-C 3.6Å; H928-W935 WeakPolarHBondContact O-CA 3.36Å; H928-W935 VanDerWaalsContact O-CD1 3.25Å; W929-W935 PolarHBondContact O-NE1 3.23Å; S933-W935 PolarHBondContact O-N 2.98Å; W935-L937 HydrophobicContact CH2-CB 3.79Å; W935-L937 HydrophobicContact CH2-CD1 3.8Å; W935-L937 HydrophobicContact CH2-CG 4.42Å; W935-L937 HydrophobicContact CZ2-CD1 4.35Å; W935-L937 HydrophobicContact CZ3-CB 4.11Å; W935-Y974 AromaticContact CZ3-CD2 3.78Å; W935-Y974 HydrophobicContact CZ3-CD2 3.78Å; W935-Y974 AromaticContact CZ3-CE2 3.88Å; W935-Y974 HydrophobicContact CZ3-CE2 3.88Å | ||
| 936 | Q | 86.2 | Confident | 86.6 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | trans | -139.6 | 147.2 | 175.5 | -67.3 | -174.2 | -11.8 | 0 | 0 | 110.6 | H928 | H928-Q936 PolarHBondContact O-N 3.17Š| ||
| 937 | L | 90.1 | Very high | 87 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 130.2 | 172.8 | -172.6 | 70.2 | 0 | 0 | 0 | 109.6 | F902 W935 L970 V971 Y974 | F902-L937 HydrophobicContact CE2-CD1 3.92Å; F902-L937 HydrophobicContact CZ-CD1 4.11Å; W935-L937 HydrophobicContact CH2-CB 3.79Å; W935-L937 HydrophobicContact CH2-CD1 3.8Å; W935-L937 HydrophobicContact CH2-CG 4.42Å; W935-L937 HydrophobicContact CZ2-CD1 4.35Å; W935-L937 HydrophobicContact CZ3-CB 4.11Å; L937-L970 HydrophobicContact CD1-CB 3.96Å; L937-L970 HydrophobicContact CD1-CD1 4.38Å; L937-L970 HydrophobicContact CD2-CB 4.32Å; L937-V971 HydrophobicContact CD2-CB 4.48Å; L937-V971 HydrophobicContact CD2-CG2 3.82Å; L937-Y974 HydrophobicContact CB-CD2 4.4Å; L937-Y974 HydrophobicContact CB-CG 4.38Å; L937-Y974 HydrophobicContact CD2-CD1 4.5Å; L937-Y974 HydrophobicContact CD2-CG 4.32Å |
| 938 | P | 90.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 146.3 | 171.5 | -18.1 | 28.1 | 0 | 0 | 0 | 111.3 | F902 W929 D942 L946 H967 | F902-P938 HydrophobicContact CE1-CG 3.92Å; F902-P938 HydrophobicContact CZ-CG 4Å; W929-P938 HydrophobicContact CB-CG 4.25Å; W929-P938 HydrophobicContact CD2-CB 4.4Å; W929-P938 HydrophobicContact CD2-CG 4.02Å; W929-P938 HydrophobicContact CG-CG 3.75Å; W929-P938 HydrophobicContact CZ2-CB 4.44Å; P938-D942 HydrophobicContact CB-CB 4.12Å; P938-L946 HydrophobicContact CB-CD1 4.34Å; P938-L946 HydrophobicContact CG-CD1 4.02Å; P938-H967 PolarHBondContact O-NE2 2.99Å |
| 939 | N | 91 | Very high | 87.6 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 40% | 0.401 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 169.8 | 170.5 | 71.5 | 22.3 | 0 | 0 | 0 | 110.5 | D941 D942 Y943 | N939-D941 VanDerWaalsContact C-N 3.33Å; N939-D941 PolarHBondContact O-N 3.13Å; N939-D941 PolarHBondContact OD1-N 3.12Å; N939-D942 PolarHBondContact ND2-OD2 3.29Å; N939-D942 PolarHBondContact O-N 2.83Å; N939-D942 VanDerWaalsContact OD1-CB 3.23Å; N939-D942 WeakPolarHBondContact OD1-CB 3.11Å; N939-D942 PolarHBondContact OD1-N 3.03Å; N939-D942 PolarHBondContact OD1-OD2 3.41Å; N939-Y943 VanDerWaalsContact O-CB 3.31Å; N939-Y943 WeakPolarHBondContact O-CB 3.22Å; N939-Y943 PolarHBondContact O-N 3.05Å |
| 940 | E | 91.7 | Very high | 87.8 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | -173.5 | -170.8 | 174.7 | 178.7 | 0 | 0 | 112.5 | Y943 R944 H967 | E940-Y943 PolarHBondContact O-N 2.97Å; E940-R944 WeakPolarHBondContact O-CG 3.42Å; E940-R944 PolarHBondContact O-N 3.05Å; E940-R944 IonicContact OE1-CZ 3.91Å; E940-R944 IonicContact OE1-NE 3.45Å; E940-R944 PolarHBondContact OE1-NE 3.03Å; E940-R944 IonicContact OE1-NH2 3.58Å; E940-R944 PolarHBondContact OE1-NH2 2.74Å; E940-H967 HydrophobicContact CG-CB 4.23Å; E940-H967 PolarHBondContact N-NE2 3.03Å |
| 941 | D | 90.3 | Very high | 87.8 | Confident | 104 Ų | 104 | 54.8 Ų | 54.8 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 179.7 | -67.2 | -31.4 | 0 | 0 | 0 | 112.7 | N939 Y943 R944 K945 | N939-D941 VanDerWaalsContact C-N 3.33Å; N939-D941 PolarHBondContact O-N 3.13Å; N939-D941 PolarHBondContact OD1-N 3.12Å; D941-Y943 VanDerWaalsContact C-N 3.32Å; D941-R944 PolarHBondContact O-N 3.15Å; D941-K945 WeakPolarHBondContact O-CB 3.48Å; D941-K945 WeakPolarHBondContact O-CG 3.16Å; D941-K945 PolarHBondContact O-N 3.34Å |
| 942 | D | 91.2 | Very high | 88.1 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 176.4 | -69.2 | -29.9 | 0 | 0 | 0 | 110.2 | K922 W929 P938 N939 K945 L946 | K922-D942 IonicContact NZ-OD1 3.67Å; K922-D942 IonicContact NZ-OD2 3.15Å; K922-D942 PolarHBondContact NZ-OD2 3.2Å; W929-D942 HydrophobicContact CH2-CB 3.99Å; W929-D942 HydrophobicContact CZ2-CB 4.05Å; P938-D942 HydrophobicContact CB-CB 4.12Å; N939-D942 PolarHBondContact ND2-OD2 3.29Å; N939-D942 PolarHBondContact O-N 2.83Å; N939-D942 VanDerWaalsContact OD1-CB 3.23Å; N939-D942 WeakPolarHBondContact OD1-CB 3.11Å; N939-D942 PolarHBondContact OD1-N 3.03Å; N939-D942 PolarHBondContact OD1-OD2 3.41Å; D942-K945 WeakPolarHBondContact O-CB 3.41Å; D942-K945 PolarHBondContact O-N 3.26Å; D942-L946 VanDerWaalsContact O-CG 3.23Å; D942-L946 WeakPolarHBondContact O-CG 3.4Å; D942-L946 PolarHBondContact O-N 2.9Å |
| 943 | Y | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.7 | -172.6 | -107.5 | 0 | 0 | 0 | 112.1 | Y901 F902 N939 E940 D941 K945 L946 Q947 L963 K965 H967 L970 | Y901-Y943 PolarHBondContact OH-OH 3.01Å; F902-Y943 AromaticContact CE1-CD2 3.79Å; F902-Y943 HydrophobicContact CE1-CD2 3.79Å; F902-Y943 AromaticContact CE1-CE2 3.66Å; F902-Y943 HydrophobicContact CE1-CE2 3.66Å; F902-Y943 AromaticContact CZ-CD2 3.83Å; F902-Y943 HydrophobicContact CZ-CD2 3.83Å; F902-Y943 AromaticContact CZ-CE2 3.65Å; F902-Y943 HydrophobicContact CZ-CE2 3.65Å; N939-Y943 VanDerWaalsContact O-CB 3.31Å; N939-Y943 WeakPolarHBondContact O-CB 3.22Å; N939-Y943 PolarHBondContact O-N 3.05Å; E940-Y943 PolarHBondContact O-N 2.97Å; D941-Y943 VanDerWaalsContact C-N 3.32Å; Y943-K945 VanDerWaalsContact C-N 3.33Å; Y943-K945 PolarHBondContact O-N 2.85Å; Y943-L946 CarbonylContact O-C 3.53Å; Y943-L946 WeakPolarHBondContact O-CB 3.49Å; Y943-L946 PolarHBondContact O-N 3.32Å; Y943-L946 VanDerWaalsContact O-N 3.14Å; Y943-Q947 HydrophobicContact CD1-CG 4.11Å; Y943-Q947 VanDerWaalsContact CE1-CD 3.43Å; Y943-Q947 HydrophobicContact CE1-CG 3.84Å; Y943-Q947 WeakPolarHBondContact O-CG 3.49Å; Y943-Q947 PolarHBondContact O-N 3.33Å; Y943-L963 HydrophobicContact CD2-CD1 4.47Å; Y943-L963 HydrophobicContact CE2-CB 4.16Å; Y943-L963 HydrophobicContact CE2-CD1 3.97Å; Y943-L963 HydrophobicContact CE2-CG 4.46Å; Y943-L963 PolarHBondContact OH-O 2.88Å; Y943-K965 VanDerWaalsContact CE1-O 3.26Å; Y943-K965 WeakPolarHBondContact CE1-O 3.37Å; Y943-K965 PolarHBondContact OH-O 3.47Å; Y943-H967 HydrophobicContact CD1-CB 3.93Å; Y943-H967 AromaticContact CD1-CD2 3.97Å; Y943-H967 HydrophobicContact CE1-CB 4.38Å; Y943-H967 AromaticContact CG-CD2 3.88Å; Y943-L970 HydrophobicContact CD2-CD1 4.19Å; Y943-L970 HydrophobicContact CE1-CD1 4.07Å; Y943-L970 HydrophobicContact CE2-CD1 3.49Å; Y943-L970 VanDerWaalsContact CE2-CD1 3.49Å; Y943-L970 VanDerWaalsContact CZ-CD1 3.41Å; Y943-L970 WeakPolarHBondContact OH-CD1 3.37Å |
| 944 | R | 91.2 | Very high | 89.4 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 174.9 | -74.9 | 177 | -176.6 | -166 | 3.4 | 112 | E940 D941 L946 Q947 V948 | E940-R944 WeakPolarHBondContact O-CG 3.42Å; E940-R944 PolarHBondContact O-N 3.05Å; E940-R944 IonicContact OE1-CZ 3.91Å; E940-R944 IonicContact OE1-NE 3.45Å; E940-R944 PolarHBondContact OE1-NE 3.03Å; E940-R944 IonicContact OE1-NH2 3.58Å; E940-R944 PolarHBondContact OE1-NH2 2.74Å; D941-R944 PolarHBondContact O-N 3.15Å; R944-L946 VanDerWaalsContact C-N 3.33Å; R944-L946 PolarHBondContact O-N 3.22Å; R944-Q947 WeakPolarHBondContact O-CB 3.43Å; R944-Q947 PolarHBondContact O-N 2.94Å; R944-V948 WeakPolarHBondContact O-CG2 3.29Å; R944-V948 PolarHBondContact O-N 3.12Å |
| 945 | K | 90.6 | Very high | 90 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 173.2 | -80.3 | 173.4 | -175 | 176 | 0 | 112.1 | V919 D941 D942 Y943 V948 L949 | V919-K945 HydrophobicContact CG1-CB 3.93Å; V919-K945 HydrophobicContact CG1-CG 4.48Å; D941-K945 WeakPolarHBondContact O-CB 3.48Å; D941-K945 WeakPolarHBondContact O-CG 3.16Å; D941-K945 PolarHBondContact O-N 3.34Å; D942-K945 WeakPolarHBondContact O-CB 3.41Å; D942-K945 PolarHBondContact O-N 3.26Å; Y943-K945 VanDerWaalsContact C-N 3.33Å; Y943-K945 PolarHBondContact O-N 2.85Å; K945-V948 PolarHBondContact O-N 3.4Å; K945-L949 PolarHBondContact O-N 3.26Å; K945-L949 VanDerWaalsContact O-N 3.14Å |
| 946 | L | 91.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.4 | -67.8 | 170.3 | 0 | 0 | 0 | 111.6 | I916 W929 F930 P938 D942 Y943 R944 V948 L949 F950 L963 | I916-L946 HydrophobicContact CG1-CD2 4.37Å; I916-L946 HydrophobicContact CG2-CD2 3.73Å; W929-L946 HydrophobicContact CE3-CD1 4.17Å; W929-L946 HydrophobicContact CZ3-CD1 4.45Å; F930-L946 HydrophobicContact CE2-CD1 4.36Å; F930-L946 HydrophobicContact CE2-CD2 4.28Å; F930-L946 HydrophobicContact CZ-CD1 4.31Å; F930-L946 HydrophobicContact CZ-CD2 4.28Å; P938-L946 HydrophobicContact CB-CD1 4.34Å; P938-L946 HydrophobicContact CG-CD1 4.02Å; D942-L946 VanDerWaalsContact O-CG 3.23Å; D942-L946 WeakPolarHBondContact O-CG 3.4Å; D942-L946 PolarHBondContact O-N 2.9Å; Y943-L946 CarbonylContact O-C 3.53Å; Y943-L946 WeakPolarHBondContact O-CB 3.49Å; Y943-L946 PolarHBondContact O-N 3.32Å; Y943-L946 VanDerWaalsContact O-N 3.14Å; R944-L946 VanDerWaalsContact C-N 3.33Å; R944-L946 PolarHBondContact O-N 3.22Å; L946-V948 VanDerWaalsContact C-N 3.35Å; L946-V948 PolarHBondContact O-N 2.88Å; L946-L949 PolarHBondContact O-N 3.37Å; L946-F950 HydrophobicContact CD2-CE2 4.44Å; L946-F950 WeakPolarHBondContact O-CB 3.39Å; L946-F950 WeakPolarHBondContact O-CD2 3.34Å; L946-F950 PolarHBondContact O-N 2.87Å; L946-L963 HydrophobicContact CB-CD1 3.83Å |
| 947 | Q | 92.2 | Very high | 90.1 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 176.8 | -73.1 | -177.9 | -60.3 | 0 | 0 | 111.6 | Y943 R944 L949 F950 A951 L963 | Y943-Q947 HydrophobicContact CD1-CG 4.11Å; Y943-Q947 VanDerWaalsContact CE1-CD 3.43Å; Y943-Q947 HydrophobicContact CE1-CG 3.84Å; Y943-Q947 WeakPolarHBondContact O-CG 3.49Å; Y943-Q947 PolarHBondContact O-N 3.33Å; R944-Q947 WeakPolarHBondContact O-CB 3.43Å; R944-Q947 PolarHBondContact O-N 2.94Å; Q947-L949 PolarHBondContact O-N 3.37Å; Q947-F950 PolarHBondContact O-N 2.87Å; Q947-A951 VanDerWaalsContact O-CB 3.3Å; Q947-A951 WeakPolarHBondContact O-CB 3.23Å; Q947-A951 PolarHBondContact O-N 3.44Å; Q947-L963 HydrophobicContact CG-CB 3.9Å; Q947-L963 PolarHBondContact NE2-O 2.98Å |
| 948 | V | 90.4 | Very high | 89.7 | Confident | 103 Ų | 103 | 68 Ų | 68 | 62% | 0.624 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | R944 K945 L946 R952 | R944-V948 WeakPolarHBondContact O-CG2 3.29Å; R944-V948 PolarHBondContact O-N 3.12Å; K945-V948 PolarHBondContact O-N 3.4Å; L946-V948 VanDerWaalsContact C-N 3.35Å; L946-V948 PolarHBondContact O-N 2.88Å; V948-R952 WeakPolarHBondContact O-CB 3.42Å; V948-R952 PolarHBondContact O-N 3.05Å |
| 949 | L | 91.2 | Very high | 89.4 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.3 | 173.9 | 62.9 | 0 | 0 | 0 | 111.6 | I911 Q915 I916 V919 K945 L946 Q947 R952 V953 | I911-L949 HydrophobicContact CG2-CD2 4.08Å; Q915-L949 HydrophobicContact CB-CD1 4.37Å; Q915-L949 HydrophobicContact CB-CD2 4.26Å; I916-L949 HydrophobicContact CG1-CD2 4.14Å; V919-L949 HydrophobicContact CB-CD2 4.43Å; V919-L949 HydrophobicContact CG1-CB 4.47Å; V919-L949 HydrophobicContact CG2-CB 4.26Å; V919-L949 HydrophobicContact CG2-CD1 4.07Å; V919-L949 HydrophobicContact CG2-CD2 4.1Å; V919-L949 HydrophobicContact CG2-CG 4.37Å; K945-L949 PolarHBondContact O-N 3.26Å; K945-L949 VanDerWaalsContact O-N 3.14Å; L946-L949 PolarHBondContact O-N 3.37Å; Q947-L949 PolarHBondContact O-N 3.37Å; L949-R952 PolarHBondContact O-N 3.28Å; L949-V953 HydrophobicContact CD1-CG2 4.09Å; L949-V953 WeakPolarHBondContact O-CG2 3.19Å; L949-V953 PolarHBondContact O-N 3.29Å |
| 950 | F | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | -177.9 | -84.3 | -122.2 | 0 | 0 | 0 | 111.3 | A905 R906 L909 I911 F930 L946 Q947 V953 A954 L963 | A905-F950 HydrophobicContact CB-CD1 4.11Å; A905-F950 HydrophobicContact CB-CE1 3.66Å; R906-F950 HydrophobicContact CB-CE1 4.43Å; R906-F950 HydrophobicContact CB-CZ 4.13Å; L909-F950 HydrophobicContact CD1-CB 4.14Å; L909-F950 HydrophobicContact CD1-CD1 3.89Å; L909-F950 HydrophobicContact CD1-CG 4.27Å; L909-F950 WeakPolarHBondContact CD1-O 3.49Å; I911-F950 HydrophobicContact CD1-CB 4.31Å; I911-F950 HydrophobicContact CD1-CD1 3.77Å; I911-F950 HydrophobicContact CD1-CD2 3.42Å; I911-F950 VanDerWaalsContact CD1-CD2 3.42Å; I911-F950 HydrophobicContact CD1-CE1 3.86Å; I911-F950 HydrophobicContact CD1-CE2 3.53Å; I911-F950 HydrophobicContact CD1-CG 3.56Å; I911-F950 HydrophobicContact CD1-CZ 3.74Å; I911-F950 HydrophobicContact CG2-CE2 4.43Å; F930-F950 HydrophobicContact CE1-CE2 4.43Å; F930-F950 AromaticContact CE1-CZ 3.68Å; F930-F950 HydrophobicContact CE1-CZ 3.68Å; F930-F950 HydrophobicContact CZ-CE2 4.1Å; F930-F950 AromaticContact CZ-CZ 3.8Å; F930-F950 HydrophobicContact CZ-CZ 3.8Å; L946-F950 HydrophobicContact CD2-CE2 4.44Å; L946-F950 WeakPolarHBondContact O-CB 3.39Å; L946-F950 WeakPolarHBondContact O-CD2 3.34Å; L946-F950 PolarHBondContact O-N 2.87Å; Q947-F950 PolarHBondContact O-N 2.87Å; F950-V953 PolarHBondContact O-N 2.88Å; F950-A954 WeakPolarHBondContact O-CB 3.27Å; F950-A954 PolarHBondContact O-N 3.04Å; F950-L963 HydrophobicContact CB-CG 4.48Å; F950-L963 HydrophobicContact CD1-CD1 4.21Å; F950-L963 HydrophobicContact CD1-CD2 4.44Å; F950-L963 HydrophobicContact CD1-CG 3.83Å; F950-L963 HydrophobicContact CD2-CD1 4.17Å; F950-L963 HydrophobicContact CE1-CD1 4.36Å; F950-L963 HydrophobicContact CE1-CD2 4.4Å; F950-L963 HydrophobicContact CE1-CG 4.17Å; F950-L963 HydrophobicContact CE2-CD1 4.33Å; F950-L963 HydrophobicContact CG-CD1 4.11Å; F950-L963 HydrophobicContact CG-CG 4.07Å; F950-L963 HydrophobicContact CZ-CD1 4.43Å |
| 951 | A | 89.1 | Confident | 87.6 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q947 V953 A954 E955 | Q947-A951 VanDerWaalsContact O-CB 3.3Å; Q947-A951 WeakPolarHBondContact O-CB 3.23Å; Q947-A951 PolarHBondContact O-N 3.44Å; A951-V953 PolarHBondContact O-N 2.88Å; A951-A954 WeakPolarHBondContact O-CB 3.44Å; A951-A954 PolarHBondContact O-N 2.62Å; A951-E955 WeakPolarHBondContact O-CB 3.33Å; A951-E955 PolarHBondContact O-N 3.21Å |
| 952 | R | 88.5 | Confident | 87.1 | Confident | 156 Ų | 156 | 75.7 Ų | 75.7 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.5 | -46.6 | 176.9 | 179.3 | -177.3 | 163.1 | -177.8 | -1.9 | 112.2 | V948 L949 E955 E956 | V948-R952 WeakPolarHBondContact O-CB 3.42Å; V948-R952 PolarHBondContact O-N 3.05Å; L949-R952 PolarHBondContact O-N 3.28Å; R952-E955 PolarHBondContact O-N 3.21Å; R952-E956 IonicContact CZ-OE1 2.85Å; R952-E956 IonicContact NE-OE1 3.14Å; R952-E956 PolarHBondContact NE-OE1 3.44Å; R952-E956 IonicContact NH2-OE1 3.98Å; R952-E956 PolarHBondContact NH2-OE1 3.26Å; R952-E956 VanDerWaalsContact NH2-OE1 3.16Å; R952-E956 WeakPolarHBondContact O-CB 3.46Å; R952-E956 VanDerWaalsContact O-CG 3.32Å; R952-E956 WeakPolarHBondContact O-CG 3.39Å; R952-E956 PolarHBondContact O-N 3.5Å |
| 953 | V | 89 | Confident | 86.9 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.5 | -34.6 | -179.9 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | L909 I911 L949 F950 A951 K957 | L909-V953 HydrophobicContact CB-CG1 4.14Å; I911-V953 HydrophobicContact CD1-CB 4.25Å; I911-V953 HydrophobicContact CD1-CG1 4.41Å; I911-V953 HydrophobicContact CD1-CG2 4.44Å; I911-V953 HydrophobicContact CG1-CB 4.27Å; I911-V953 HydrophobicContact CG1-CG1 3.98Å; I911-V953 HydrophobicContact CG1-CG2 4.32Å; L949-V953 HydrophobicContact CD1-CG2 4.09Å; L949-V953 WeakPolarHBondContact O-CG2 3.19Å; L949-V953 PolarHBondContact O-N 3.29Å; F950-V953 PolarHBondContact O-N 2.88Å; A951-V953 PolarHBondContact O-N 2.88Å; V953-K957 HydrophobicContact CG1-CD 4.03Å; V953-K957 HydrophobicContact CG1-CG 4.37Å; V953-K957 WeakPolarHBondContact O-CB 3.44Å; V953-K957 WeakPolarHBondContact O-CG 3.42Å; V953-K957 PolarHBondContact O-N 3.41Å |
| 954 | A | 87.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 82.2 Ų | 82.2 | 3% | 0.025 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L909 F950 A951 K957 H958 Q959 E962 | L909-A954 HydrophobicContact CD1-CB 4.04Å; L909-A954 HydrophobicContact CD2-CB 3.9Å; F950-A954 WeakPolarHBondContact O-CB 3.27Å; F950-A954 PolarHBondContact O-N 3.04Å; A951-A954 WeakPolarHBondContact O-CB 3.44Å; A951-A954 PolarHBondContact O-N 2.62Å; A954-K957 PolarHBondContact O-N 3.36Å; A954-H958 WeakPolarHBondContact O-CA 3.14Å; A954-H958 PolarHBondContact O-N 2.92Å; A954-Q959 WeakPolarHBondContact CA-O 3.49Å; A954-Q959 VanDerWaalsContact CB-O 3.29Å; A954-Q959 WeakPolarHBondContact CB-O 3.46Å; A954-Q959 PolarHBondContact O-N 3.18Å; A954-Q959 VanDerWaalsContact O-N 3.07Å; A954-E962 HydrophobicContact CB-CG 3.79Å |
| 955 | E | 86.7 | Confident | 86.5 | Confident | 149 Ų | 149 | 80.2 Ų | 80.2 | 70% | 0.696 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.3 | -48.5 | 175.9 | -170.2 | 175.3 | -162.7 | 0 | 0 | 111.7 | A951 R952 K957 H958 | A951-E955 WeakPolarHBondContact O-CB 3.33Å; A951-E955 PolarHBondContact O-N 3.21Å; R952-E955 PolarHBondContact O-N 3.21Å; E955-K957 PolarHBondContact O-N 2.77Å; E955-H958 PolarHBondContact O-N 3.01Å; E955-H958 PolarHBondContact O-ND1 3.37Å |
| 956 | E | 87.2 | Confident | 86.5 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -31.5 | 177 | -74.9 | 174 | -175.8 | 0 | 0 | 112.8 | R952 | R952-E956 IonicContact CZ-OE1 2.85Å; R952-E956 IonicContact NE-OE1 3.14Å; R952-E956 PolarHBondContact NE-OE1 3.44Å; R952-E956 IonicContact NH2-OE1 3.98Å; R952-E956 PolarHBondContact NH2-OE1 3.26Å; R952-E956 VanDerWaalsContact NH2-OE1 3.16Å; R952-E956 WeakPolarHBondContact O-CB 3.46Å; R952-E956 VanDerWaalsContact O-CG 3.32Å; R952-E956 WeakPolarHBondContact O-CG 3.39Å; R952-E956 PolarHBondContact O-N 3.5Å |
| 957 | K | 86.9 | Confident | 86.4 | Confident | 96 Ų | 96 | 80 Ų | 80 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -96.1 | -6.5 | -179.5 | -70.6 | -171.3 | 172.6 | -171.2 | 0 | 114.6 | L909 V953 A954 E955 Q959 | L909-K957 WeakPolarHBondContact O-CE 3.31Å; L909-K957 PolarHBondContact O-NZ 3.44Å; V953-K957 HydrophobicContact CG1-CD 4.03Å; V953-K957 HydrophobicContact CG1-CG 4.37Å; V953-K957 WeakPolarHBondContact O-CB 3.44Å; V953-K957 WeakPolarHBondContact O-CG 3.42Å; V953-K957 PolarHBondContact O-N 3.41Å; A954-K957 PolarHBondContact O-N 3.36Å; E955-K957 PolarHBondContact O-N 2.77Å; K957-Q959 HydrophobicContact CB-CB 4.27Å; K957-Q959 HydrophobicContact CB-CG 4.3Å; K957-Q959 PolarHBondContact O-N 3.39Å |
| 958 | H | 82.5 | Confident | 86.3 | Confident | 180 Ų | 180 | 83.3 Ų | 83.3 | 83% | 0.833 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41 | -169.8 | -54.8 | -58.1 | 0 | 0 | 0 | 113.1 | A954 E955 | A954-H958 WeakPolarHBondContact O-CA 3.14Å; A954-H958 PolarHBondContact O-N 2.92Å; E955-H958 PolarHBondContact O-N 3.01Å; E955-H958 PolarHBondContact O-ND1 3.37Å |
| 959 | Q | 82 | Confident | 86.3 | Confident | 102 Ų | 102 | 82.9 Ų | 82.9 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | trans | -127.2 | 144.7 | -177 | -75.7 | 176.8 | -8.7 | 0 | 0 | 111.1 | A908 L909 A954 K957 | A908-Q959 PolarHBondContact O-OE1 3.24Å; L909-Q959 HydrophobicContact CD2-CB 4.18Å; A954-Q959 WeakPolarHBondContact CA-O 3.49Å; A954-Q959 VanDerWaalsContact CB-O 3.29Å; A954-Q959 WeakPolarHBondContact CB-O 3.46Å; A954-Q959 PolarHBondContact O-N 3.18Å; A954-Q959 VanDerWaalsContact O-N 3.07Å; K957-Q959 HydrophobicContact CB-CB 4.27Å; K957-Q959 HydrophobicContact CB-CG 4.3Å; K957-Q959 PolarHBondContact O-N 3.39Å | ||
| 960 | R | 74.9 | Confident | 86.3 | Confident | 230 Ų | 230 | 82.2 Ų | 82.2 | 87% | 0.868 | 38% | 0.38 | S | S | * | . | trans | -77.5 | 140.7 | 168 | -72.7 | -170.2 | 177.5 | -174.6 | -1 | 110.3 | ||||
| 961 | G | 70.8 | Confident | 86.2 | Confident | 15 Ų | 15 | 84.9 Ų | 84.9 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | trans | 168.6 | 24.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L909 | L909-G961 VanDerWaalsContact CD1-O 3.28Å; L909-G961 WeakPolarHBondContact CD1-O 3.14Å | ||
| 962 | E | 79.8 | Confident | 86.2 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | trans | -76.9 | 156.9 | -174.4 | -62.5 | 177 | -166.7 | 0 | 0 | 111.8 | A954 E964 | A954-E962 HydrophobicContact CB-CG 3.79Å; E962-E964 VanDerWaalsContact C-N 3.32Å; E962-E964 HydrophobicContact CB-CG 4.1Å; E962-E964 PolarHBondContact O-N 2.85Å; E962-E964 VanDerWaalsContact O-N 3.09Å | ||
| 963 | L | 88.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | trans | -83.3 | 76.8 | 172 | -68.2 | 175.5 | 0 | 0 | 0 | 109.8 | Y901 F902 A905 Y943 L946 Q947 F950 K965 | Y901-L963 HydrophobicContact CD1-CD2 4.41Å; Y901-L963 HydrophobicContact CE1-CD2 3.76Å; Y901-L963 WeakPolarHBondContact OH-CA 3.34Å; F902-L963 HydrophobicContact CD1-CD2 4.24Å; F902-L963 HydrophobicContact CE1-CD1 4.32Å; F902-L963 HydrophobicContact CE1-CD2 4.41Å; A905-L963 HydrophobicContact CB-CD2 3.87Å; Y943-L963 HydrophobicContact CD2-CD1 4.47Å; Y943-L963 HydrophobicContact CE2-CB 4.16Å; Y943-L963 HydrophobicContact CE2-CD1 3.97Å; Y943-L963 HydrophobicContact CE2-CG 4.46Å; Y943-L963 PolarHBondContact OH-O 2.88Å; L946-L963 HydrophobicContact CB-CD1 3.83Å; Q947-L963 HydrophobicContact CG-CB 3.9Å; Q947-L963 PolarHBondContact NE2-O 2.98Å; F950-L963 HydrophobicContact CB-CG 4.48Å; F950-L963 HydrophobicContact CD1-CD1 4.21Å; F950-L963 HydrophobicContact CD1-CD2 4.44Å; F950-L963 HydrophobicContact CD1-CG 3.83Å; F950-L963 HydrophobicContact CD2-CD1 4.17Å; F950-L963 HydrophobicContact CE1-CD1 4.36Å; F950-L963 HydrophobicContact CE1-CD2 4.4Å; F950-L963 HydrophobicContact CE1-CG 4.17Å; F950-L963 HydrophobicContact CE2-CD1 4.33Å; F950-L963 HydrophobicContact CG-CD1 4.11Å; F950-L963 HydrophobicContact CG-CG 4.07Å; F950-L963 HydrophobicContact CZ-CD1 4.43Å; L963-K965 PolarHBondContact O-N 3.19Å | ||
| 964 | E | 86 | Confident | 86.4 | Confident | 140 Ų | 140 | 84.3 Ų | 84.3 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | trans | -74.8 | -21.2 | -169.7 | -63.8 | 174.5 | -171.4 | 0 | 0 | 115.4 | Y901 E962 | Y901-E964 PolarHBondContact OH-N 3.47Å; Y901-E964 VanDerWaalsContact OH-N 3.13Å; E962-E964 VanDerWaalsContact C-N 3.32Å; E962-E964 HydrophobicContact CB-CG 4.1Å; E962-E964 PolarHBondContact O-N 2.85Å; E962-E964 VanDerWaalsContact O-N 3.09Å | ||
| 965 | K | 89 | Confident | 86.3 | Confident | 95 Ų | 95 | 87 Ų | 87 | 41% | 0.413 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -75.2 | 133.2 | -173.8 | -70 | -176 | 178 | -178.3 | 0 | 110.8 | Y901 Y943 L963 L970 | Y901-K965 HydrophobicContact CD2-CD 4.43Å; Y901-K965 HydrophobicContact CE2-CD 4.01Å; Y901-K965 HydrophobicContact CE2-CG 4.11Å; Y901-K965 PolarHBondContact OH-N 2.85Å; Y901-K965 VanDerWaalsContact OH-N 3.09Å; Y943-K965 VanDerWaalsContact CE1-O 3.26Å; Y943-K965 WeakPolarHBondContact CE1-O 3.37Å; Y943-K965 PolarHBondContact OH-O 3.47Å; L963-K965 PolarHBondContact O-N 3.19Å; K965-L970 HydrophobicContact CB-CD2 4.1Å; K965-L970 HydrophobicContact CB-CG 4.22Å; K965-L970 HydrophobicContact CD-CD2 3.84Å |
| 966 | P | 89.7 | Confident | 86.5 | Confident | 54 Ų | 54 | 85.1 Ų | 85.1 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | trans | -58.4 | 140.7 | 169.5 | -23.2 | 33.1 | 0 | 0 | 0 | 111.6 | H968 Q969 L970 | P966-H968 VanDerWaalsContact C-N 3.27Å; P966-H968 WeakPolarHBondContact CB-CE1 3.44Å; P966-H968 WeakPolarHBondContact CB-ND1 3.36Å; P966-H968 PolarHBondContact O-N 3.06Å; P966-Q969 HydrophobicContact CB-CG 4.43Å; P966-Q969 HydrophobicContact CG-CG 4.5Å; P966-Q969 WeakPolarHBondContact O-CB 3.08Å; P966-Q969 PolarHBondContact O-N 3.29Å; P966-L970 PolarHBondContact O-N 3.12Å | ||
| 967 | H | 91.4 | Very high | 86.6 | Confident | 33 Ų | 33 | 80.6 Ų | 80.6 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.7 | -39.9 | -176.5 | -176.1 | -95 | 0 | 0 | 0 | 113 | P938 E940 Y943 Q969 L970 V971 | P938-H967 PolarHBondContact O-NE2 2.99Å; E940-H967 HydrophobicContact CG-CB 4.23Å; E940-H967 PolarHBondContact N-NE2 3.03Å; Y943-H967 HydrophobicContact CD1-CB 3.93Å; Y943-H967 AromaticContact CD1-CD2 3.97Å; Y943-H967 HydrophobicContact CE1-CB 4.38Å; Y943-H967 AromaticContact CG-CD2 3.88Å; H967-Q969 VanDerWaalsContact C-N 3.26Å; H967-Q969 PolarHBondContact O-N 2.82Å; H967-L970 WeakPolarHBondContact O-CB 3.48Å; H967-L970 PolarHBondContact O-N 2.68Å; H967-V971 WeakPolarHBondContact CE1-CG2 3.29Å; H967-V971 WeakPolarHBondContact ND1-CG2 3.45Å; H967-V971 WeakPolarHBondContact O-CG2 3.43Å; H967-V971 PolarHBondContact O-N 3.41Å |
| 968 | H | 89.2 | Confident | 86.5 | Confident | 130 Ų | 130 | 78.1 Ų | 78.1 | 60% | 0.602 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.3 | -32.9 | 178.1 | 70.8 | -96 | 0 | 0 | 0 | 113.6 | P966 S972 | P966-H968 VanDerWaalsContact C-N 3.27Å; P966-H968 WeakPolarHBondContact CB-CE1 3.44Å; P966-H968 WeakPolarHBondContact CB-ND1 3.36Å; P966-H968 PolarHBondContact O-N 3.06Å; H968-S972 PolarHBondContact O-N 3.36Å |
| 969 | Q | 90.4 | Very high | 86.6 | Confident | 94 Ų | 94 | 78.6 Ų | 78.6 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 175.4 | -66.2 | -171.7 | -1.6 | 0 | 0 | 111 | P966 H967 S972 T973 | P966-Q969 HydrophobicContact CB-CG 4.43Å; P966-Q969 HydrophobicContact CG-CG 4.5Å; P966-Q969 WeakPolarHBondContact O-CB 3.08Å; P966-Q969 PolarHBondContact O-N 3.29Å; H967-Q969 VanDerWaalsContact C-N 3.26Å; H967-Q969 PolarHBondContact O-N 2.82Å; Q969-S972 WeakPolarHBondContact O-CB 3.27Å; Q969-S972 PolarHBondContact O-N 3.33Å; Q969-T973 PolarHBondContact O-N 3.21Å; Q969-T973 PolarHBondContact O-OG1 3.08Å |
| 970 | L | 91.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 175.7 | -62.1 | 178.1 | 0 | 0 | 0 | 111.9 | L898 Y901 F902 L937 Y943 K965 P966 H967 S972 T973 Y974 | L898-L970 HydrophobicContact CD2-CD2 4Å; Y901-L970 HydrophobicContact CD1-CD2 4.02Å; Y901-L970 HydrophobicContact CE1-CD1 4.05Å; Y901-L970 HydrophobicContact CE1-CD2 3.95Å; F902-L970 HydrophobicContact CE2-CD1 4.4Å; F902-L970 HydrophobicContact CZ-CD1 4.07Å; L937-L970 HydrophobicContact CD1-CB 3.96Å; L937-L970 HydrophobicContact CD1-CD1 4.38Å; L937-L970 HydrophobicContact CD2-CB 4.32Å; Y943-L970 HydrophobicContact CD2-CD1 4.19Å; Y943-L970 HydrophobicContact CE1-CD1 4.07Å; Y943-L970 HydrophobicContact CE2-CD1 3.49Å; Y943-L970 VanDerWaalsContact CE2-CD1 3.49Å; Y943-L970 VanDerWaalsContact CZ-CD1 3.41Å; Y943-L970 WeakPolarHBondContact OH-CD1 3.37Å; K965-L970 HydrophobicContact CB-CD2 4.1Å; K965-L970 HydrophobicContact CB-CG 4.22Å; K965-L970 HydrophobicContact CD-CD2 3.84Å; P966-L970 PolarHBondContact O-N 3.12Å; H967-L970 WeakPolarHBondContact O-CB 3.48Å; H967-L970 PolarHBondContact O-N 2.68Å; L970-S972 VanDerWaalsContact C-N 3.33Å; L970-T973 PolarHBondContact O-N 3.24Å; L970-Y974 VanDerWaalsContact O-CB 3.27Å; L970-Y974 WeakPolarHBondContact O-CB 3.4Å; L970-Y974 PolarHBondContact O-N 2.87Å |
| 971 | V | 90 | Very high | 87.1 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L937 H967 Y974 S975 | L937-V971 HydrophobicContact CD2-CB 4.48Å; L937-V971 HydrophobicContact CD2-CG2 3.82Å; H967-V971 WeakPolarHBondContact CE1-CG2 3.29Å; H967-V971 WeakPolarHBondContact ND1-CG2 3.45Å; H967-V971 WeakPolarHBondContact O-CG2 3.43Å; H967-V971 PolarHBondContact O-N 3.41Å; V971-Y974 PolarHBondContact O-N 3.48Å; V971-S975 WeakPolarHBondContact O-CB 3.12Å; V971-S975 PolarHBondContact O-N 2.83Å; V971-S975 PolarHBondContact O-OG 2.57Å |
| 972 | S | 89 | Confident | 87.3 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -52.2 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | H968 Q969 L970 Y974 S975 E976 | H968-S972 PolarHBondContact O-N 3.36Å; Q969-S972 WeakPolarHBondContact O-CB 3.27Å; Q969-S972 PolarHBondContact O-N 3.33Å; L970-S972 VanDerWaalsContact C-N 3.33Å; S972-Y974 VanDerWaalsContact C-N 3.33Å; S972-Y974 PolarHBondContact O-N 3.18Å; S972-S975 WeakPolarHBondContact O-CB 3.34Å; S972-S975 PolarHBondContact O-N 2.73Å; S972-S975 VanDerWaalsContact O-N 3.16Å; S972-E976 PolarHBondContact O-N 3.09Å |
| 973 | T | 89.9 | Confident | 87.1 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 112 | L898 Q969 L970 S975 E976 L977 | L898-T973 HydrophobicContact CD1-CG2 4.5Å; L898-T973 HydrophobicContact CD2-CG2 4.13Å; L898-T973 HydrophobicContact CG-CG2 4.25Å; Q969-T973 PolarHBondContact O-N 3.21Å; Q969-T973 PolarHBondContact O-OG1 3.08Å; L970-T973 PolarHBondContact O-N 3.24Å; T973-S975 VanDerWaalsContact C-N 3.33Å; T973-S975 PolarHBondContact O-N 2.78Å; T973-E976 PolarHBondContact O-N 3.44Å; T973-L977 HydrophobicContact CG2-CD1 4Å; T973-L977 HydrophobicContact CG2-CG 4.36Å; T973-L977 WeakPolarHBondContact O-CB 3.46Å; T973-L977 VanDerWaalsContact O-CG 3.32Å; T973-L977 WeakPolarHBondContact O-CG 3.47Å; T973-L977 PolarHBondContact O-N 3.46Å |
| 974 | Y | 90.7 | Very high | 86.5 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 23% | 0.231 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 176.6 | 177.6 | -110.3 | 0 | 0 | 0 | 112.4 | M895 L898 W935 L937 L970 V971 S972 N978 | M895-Y974 HydrophobicContact CE-CE2 4.44Å; M895-Y974 HydrophobicContact SD-CD2 4.14Å; M895-Y974 HydrophobicContact SD-CE2 4.24Å; L898-Y974 HydrophobicContact CD1-CD2 4Å; L898-Y974 HydrophobicContact CD1-CG 4.41Å; W935-Y974 AromaticContact CZ3-CD2 3.78Å; W935-Y974 HydrophobicContact CZ3-CD2 3.78Å; W935-Y974 AromaticContact CZ3-CE2 3.88Å; W935-Y974 HydrophobicContact CZ3-CE2 3.88Å; L937-Y974 HydrophobicContact CB-CD2 4.4Å; L937-Y974 HydrophobicContact CB-CG 4.38Å; L937-Y974 HydrophobicContact CD2-CD1 4.5Å; L937-Y974 HydrophobicContact CD2-CG 4.32Å; L970-Y974 VanDerWaalsContact O-CB 3.27Å; L970-Y974 WeakPolarHBondContact O-CB 3.4Å; L970-Y974 PolarHBondContact O-N 2.87Å; V971-Y974 PolarHBondContact O-N 3.48Å; S972-Y974 VanDerWaalsContact C-N 3.33Å; S972-Y974 PolarHBondContact O-N 3.18Å; Y974-N978 WeakPolarHBondContact CE1-ND2 3.13Å; Y974-N978 WeakPolarHBondContact CE2-ND2 3.18Å; Y974-N978 VanDerWaalsContact O-CB 3.28Å; Y974-N978 WeakPolarHBondContact O-CB 3.26Å; Y974-N978 PolarHBondContact O-N 2.73Å; Y974-N978 PolarHBondContact OH-ND2 2.97Å |
| 975 | S | 86.9 | Confident | 85.6 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 112 | V971 S972 T973 R979 | V971-S975 WeakPolarHBondContact O-CB 3.12Å; V971-S975 PolarHBondContact O-N 2.83Å; V971-S975 PolarHBondContact O-OG 2.57Å; S972-S975 WeakPolarHBondContact O-CB 3.34Å; S972-S975 PolarHBondContact O-N 2.73Å; S972-S975 VanDerWaalsContact O-N 3.16Å; T973-S975 VanDerWaalsContact C-N 3.33Å; T973-S975 PolarHBondContact O-N 2.78Å; S975-R979 PolarHBondContact O-N 2.84Å; S975-R979 VanDerWaalsContact O-N 3.07Å |
| 976 | E | 89.8 | Confident | 84.4 | Confident | 111 Ų | 111 | 69 Ų | 69 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 175.6 | -173.7 | 175.3 | -171.4 | 0 | 0 | 112 | S972 T973 N978 R979 Q980 | S972-E976 PolarHBondContact O-N 3.09Å; T973-E976 PolarHBondContact O-N 3.44Å; E976-N978 VanDerWaalsContact C-N 3.33Å; E976-N978 PolarHBondContact O-N 3.04Å; E976-R979 WeakPolarHBondContact O-CB 3.46Å; E976-R979 PolarHBondContact O-N 3.33Å; E976-R979 VanDerWaalsContact O-N 3.12Å; E976-Q980 PolarHBondContact O-N 2.88Å |
| 977 | L | 90.1 | Very high | 83.1 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 177.5 | -68.1 | 178.2 | 0 | 0 | 0 | 112.1 | V894 M895 P897 L898 T973 R979 Q980 Y981 | V894-L977 HydrophobicContact CG1-CB 4.11Å; V894-L977 HydrophobicContact CG1-CD2 4.21Å; V894-L977 VanDerWaalsContact CG1-O 3.26Å; V894-L977 WeakPolarHBondContact CG1-O 3.22Å; V894-L977 WeakPolarHBondContact O-CD2 3.27Å; M895-L977 HydrophobicContact CE-CB 3.91Å; M895-L977 HydrophobicContact SD-CB 4.02Å; M895-L977 HydrophobicContact SD-CD1 4.42Å; P897-L977 HydrophobicContact CG-CD1 4.49Å; L898-L977 HydrophobicContact CD1-CD1 4Å; L898-L977 HydrophobicContact CG-CD1 4.15Å; T973-L977 HydrophobicContact CG2-CD1 4Å; T973-L977 HydrophobicContact CG2-CG 4.36Å; T973-L977 WeakPolarHBondContact O-CB 3.46Å; T973-L977 VanDerWaalsContact O-CG 3.32Å; T973-L977 WeakPolarHBondContact O-CG 3.47Å; T973-L977 PolarHBondContact O-N 3.46Å; L977-R979 VanDerWaalsContact C-N 3.33Å; L977-R979 PolarHBondContact O-N 2.94Å; L977-Q980 PolarHBondContact O-N 3.29Å; L977-Y981 WeakPolarHBondContact O-CB 3.5Å; L977-Y981 PolarHBondContact O-N 3.25Å |
| 978 | N | 84.7 | Confident | 81.8 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 173.4 | -94.5 | -23.3 | 0 | 0 | 0 | 112.5 | M895 Y974 E976 Y981 A982 | M895-N978 HydrophobicContact CE-CB 4.39Å; M895-N978 WeakPolarHBondContact CE-OD1 3.23Å; Y974-N978 WeakPolarHBondContact CE1-ND2 3.13Å; Y974-N978 WeakPolarHBondContact CE2-ND2 3.18Å; Y974-N978 VanDerWaalsContact O-CB 3.28Å; Y974-N978 WeakPolarHBondContact O-CB 3.26Å; Y974-N978 PolarHBondContact O-N 2.73Å; Y974-N978 PolarHBondContact OH-ND2 2.97Å; E976-N978 VanDerWaalsContact C-N 3.33Å; E976-N978 PolarHBondContact O-N 3.04Å; N978-Y981 PolarHBondContact O-N 3.05Å; N978-A982 VanDerWaalsContact O-CB 3.3Å; N978-A982 WeakPolarHBondContact O-CB 3.38Å; N978-A982 PolarHBondContact O-N 3.34Å |
| 979 | R | 84.3 | Confident | 80.1 | Confident | 190 Ų | 190 | 71.3 Ų | 71.3 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 175.4 | -167.2 | -175.3 | -62 | 162.4 | 1.2 | 111.2 | S975 E976 L977 A982 S983 | S975-R979 PolarHBondContact O-N 2.84Å; S975-R979 VanDerWaalsContact O-N 3.07Å; E976-R979 WeakPolarHBondContact O-CB 3.46Å; E976-R979 PolarHBondContact O-N 3.33Å; E976-R979 VanDerWaalsContact O-N 3.12Å; L977-R979 VanDerWaalsContact C-N 3.33Å; L977-R979 PolarHBondContact O-N 2.94Å; R979-A982 PolarHBondContact O-N 2.99Å; R979-S983 PolarHBondContact O-N 2.59Å |
| 980 | Q | 85.3 | Confident | 78.3 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.8 | -68.7 | 178.3 | -0.5 | 0 | 0 | 111.6 | V894 E976 L977 A982 S983 L984 | V894-Q980 HydrophobicContact CG1-CB 4.37Å; E976-Q980 PolarHBondContact O-N 2.88Å; L977-Q980 PolarHBondContact O-N 3.29Å; Q980-A982 PolarHBondContact O-N 3.2Å; Q980-S983 PolarHBondContact O-N 3.32Å; Q980-L984 WeakPolarHBondContact O-CG 3.03Å; Q980-L984 PolarHBondContact O-N 3.25Å |
| 981 | Y | 82.5 | Confident | 76.5 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.7 | 174.8 | -109.2 | 0 | 0 | 0 | 111.8 | L890 K891 L977 N978 L984 L985 | L890-Y981 HydrophobicContact CD2-CD2 4.31Å; L890-Y981 HydrophobicContact CD2-CE2 4.31Å; L890-Y981 HydrophobicContact CG-CD2 4.31Å; L890-Y981 HydrophobicContact CG-CE2 4.45Å; K891-Y981 HydrophobicContact CB-CD2 4.04Å; K891-Y981 HydrophobicContact CB-CE2 3.48Å; K891-Y981 VanDerWaalsContact CB-CE2 3.48Å; K891-Y981 HydrophobicContact CD-CE1 4.43Å; K891-Y981 HydrophobicContact CG-CD2 4.28Å; K891-Y981 HydrophobicContact CG-CE2 3.96Å; L977-Y981 WeakPolarHBondContact O-CB 3.5Å; L977-Y981 PolarHBondContact O-N 3.25Å; N978-Y981 PolarHBondContact O-N 3.05Å; Y981-L984 PolarHBondContact O-N 3.13Å; Y981-L985 HydrophobicContact CE1-CD1 3.74Å; Y981-L985 HydrophobicContact CE2-CD1 3.85Å; Y981-L985 WeakPolarHBondContact O-CB 3.46Å; Y981-L985 PolarHBondContact O-N 3.25Å; Y981-L985 WeakPolarHBondContact OH-CD1 3.39Å |
| 982 | A | 75.3 | Confident | 75.1 | Confident | 56 Ų | 56 | 78.7 Ų | 78.7 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N978 R979 Q980 L985 E986 | N978-A982 VanDerWaalsContact O-CB 3.3Å; N978-A982 WeakPolarHBondContact O-CB 3.38Å; N978-A982 PolarHBondContact O-N 3.34Å; R979-A982 PolarHBondContact O-N 2.99Å; Q980-A982 PolarHBondContact O-N 3.2Å; A982-L985 PolarHBondContact O-N 3.17Å; A982-E986 PolarHBondContact O-N 3.33Å |
| 983 | S | 75.6 | Confident | 74.2 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.6 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | R979 Q980 L985 E986 E987 | R979-S983 PolarHBondContact O-N 2.59Å; Q980-S983 PolarHBondContact O-N 3.32Å; S983-L985 VanDerWaalsContact C-N 3.31Å; S983-L985 PolarHBondContact O-N 3.48Å; S983-E986 WeakPolarHBondContact O-CB 3.14Å; S983-E986 PolarHBondContact O-N 2.78Å; S983-E987 PolarHBondContact O-N 3.41Å; S983-E987 VanDerWaalsContact O-N 3.09Å |
| 984 | L | 74.6 | Confident | 73.4 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 178 | -70.6 | 162.7 | 0 | 0 | 0 | 111.5 | L890 V894 Q980 Y981 E986 E987 Y988 | L890-L984 HydrophobicContact CD1-CB 4.3Å; L890-L984 HydrophobicContact CD1-CD1 4.07Å; L890-L984 HydrophobicContact CD2-CB 3.83Å; L890-L984 HydrophobicContact CG-CB 4.48Å; V894-L984 HydrophobicContact CG2-CD1 3.93Å; Q980-L984 WeakPolarHBondContact O-CG 3.03Å; Q980-L984 PolarHBondContact O-N 3.25Å; Y981-L984 PolarHBondContact O-N 3.13Å; L984-E986 VanDerWaalsContact C-N 3.3Å; L984-E986 PolarHBondContact O-N 3.08Å; L984-E987 WeakPolarHBondContact O-CB 3.4Å; L984-E987 PolarHBondContact O-N 2.67Å; L984-Y988 WeakPolarHBondContact O-CD2 3.4Å; L984-Y988 PolarHBondContact O-N 3.22Å |
| 985 | L | 67.3 | Low | 73 | Confident | 35 Ų | 35 | 81.1 Ų | 81.1 | 18% | 0.183 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.9 | -30.5 | 177 | -163 | 135.6 | 0 | 0 | 0 | 111.7 | Y981 A982 S983 Y988 K989 | Y981-L985 HydrophobicContact CE1-CD1 3.74Å; Y981-L985 HydrophobicContact CE2-CD1 3.85Å; Y981-L985 WeakPolarHBondContact O-CB 3.46Å; Y981-L985 PolarHBondContact O-N 3.25Å; Y981-L985 WeakPolarHBondContact OH-CD1 3.39Å; A982-L985 PolarHBondContact O-N 3.17Å; S983-L985 VanDerWaalsContact C-N 3.31Å; S983-L985 PolarHBondContact O-N 3.48Å; L985-Y988 CarbonylContact O-C 3.49Å; L985-Y988 PolarHBondContact O-N 3.08Å; L985-K989 HydrophobicContact CD2-CG 4.4Å; L985-K989 WeakPolarHBondContact O-CG 3.16Å; L985-K989 PolarHBondContact O-N 2.69Å |
| 986 | E | 63.3 | Low | 72.6 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 52% | 0.523 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 171.8 | -156.7 | 62.1 | -149.4 | 0 | 0 | 111.7 | A982 S983 L984 Y988 K989 S990 | A982-E986 PolarHBondContact O-N 3.33Å; S983-E986 WeakPolarHBondContact O-CB 3.14Å; S983-E986 PolarHBondContact O-N 2.78Å; L984-E986 VanDerWaalsContact C-N 3.3Å; L984-E986 PolarHBondContact O-N 3.08Å; E986-Y988 VanDerWaalsContact C-N 3.29Å; E986-Y988 PolarHBondContact O-N 2.73Å; E986-K989 WeakPolarHBondContact O-CB 3.08Å; E986-K989 PolarHBondContact O-N 3.05Å; E986-K989 IonicContact OE1-NZ 3.42Å; E986-K989 WeakPolarHBondContact OE2-CD 3.44Å; E986-K989 IonicContact OE2-NZ 2.9Å; E986-K989 PolarHBondContact OE2-NZ 3.42Å; E986-S990 PolarHBondContact O-N 3.41Å; E986-S990 VanDerWaalsContact O-N 3.11Å |
| 987 | E | 63.9 | Low | 72.1 | Confident | 121 Ų | 121 | 78.4 Ų | 78.4 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.6 | -39.7 | 168.9 | -73 | 177.3 | -164.6 | 0 | 0 | 111.5 | S983 L984 S990 | S983-E987 PolarHBondContact O-N 3.41Å; S983-E987 VanDerWaalsContact O-N 3.09Å; L984-E987 WeakPolarHBondContact O-CB 3.4Å; L984-E987 PolarHBondContact O-N 2.67Å; E987-S990 WeakPolarHBondContact O-CB 3.3Å; E987-S990 PolarHBondContact O-N 3.27Å; E987-S990 VanDerWaalsContact O-N 3.14Å; E987-S990 PolarHBondContact O-OG 2.72Å |
| 988 | Y | 64.2 | Low | 71.1 | Confident | 65 Ų | 65 | 80.9 Ų | 80.9 | 26% | 0.255 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.4 | -31.9 | 174.4 | -96.5 | -83.6 | 0 | 0 | 0 | 113.5 | K886 L890 L984 L985 E986 S990 L991 | K886-Y988 HydrophobicContact CB-CE1 3.89Å; K886-Y988 HydrophobicContact CD-CE1 3.9Å; L890-Y988 HydrophobicContact CD1-CE2 4.33Å; L890-Y988 HydrophobicContact CD2-CD2 3.79Å; L890-Y988 HydrophobicContact CD2-CE2 3.96Å; L984-Y988 WeakPolarHBondContact O-CD2 3.4Å; L984-Y988 PolarHBondContact O-N 3.22Å; L985-Y988 CarbonylContact O-C 3.49Å; L985-Y988 PolarHBondContact O-N 3.08Å; E986-Y988 VanDerWaalsContact C-N 3.29Å; E986-Y988 PolarHBondContact O-N 2.73Å; Y988-S990 PolarHBondContact O-N 2.59Å; Y988-L991 HydrophobicContact CD1-CD1 3.77Å; Y988-L991 HydrophobicContact CE1-CD1 3.99Å; Y988-L991 HydrophobicContact CG-CD1 4.44Å; Y988-L991 WeakPolarHBondContact O-CA 3.35Å; Y988-L991 VanDerWaalsContact O-CB 3.31Å; Y988-L991 WeakPolarHBondContact O-CB 3.5Å; Y988-L991 PolarHBondContact O-N 3.04Å |
| 989 | K | 53.6 | Low | 70.2 | Confident | 81 Ų | 81 | 84 Ų | 84 | 35% | 0.352 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -27.5 | 170 | -77.2 | 178.3 | -167.6 | 161.3 | 0 | 111.1 | L985 E986 L991 R992 | L985-K989 HydrophobicContact CD2-CG 4.4Å; L985-K989 WeakPolarHBondContact O-CG 3.16Å; L985-K989 PolarHBondContact O-N 2.69Å; E986-K989 WeakPolarHBondContact O-CB 3.08Å; E986-K989 PolarHBondContact O-N 3.05Å; E986-K989 IonicContact OE1-NZ 3.42Å; E986-K989 WeakPolarHBondContact OE2-CD 3.44Å; E986-K989 IonicContact OE2-NZ 2.9Å; E986-K989 PolarHBondContact OE2-NZ 3.42Å; K989-L991 PolarHBondContact O-N 3.35Å; K989-R992 VanDerWaalsContact O-CB 3.31Å; K989-R992 WeakPolarHBondContact O-CB 3.46Å; K989-R992 PolarHBondContact O-N 3Å |
| 990 | S | 51.5 | Low | 69.2 | Low | 61 Ų | 61 | 79.5 Ų | 79.5 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.4 | 171.6 | 91 | 0 | 0 | 0 | 0 | 112.4 | E986 E987 Y988 R1037 | E986-S990 PolarHBondContact O-N 3.41Å; E986-S990 VanDerWaalsContact O-N 3.11Å; E987-S990 WeakPolarHBondContact O-CB 3.3Å; E987-S990 PolarHBondContact O-N 3.27Å; E987-S990 VanDerWaalsContact O-N 3.14Å; E987-S990 PolarHBondContact O-OG 2.72Å; Y988-S990 PolarHBondContact O-N 2.59Å; S990-R1037 PolarHBondContact O-NH1 2.98Å; S990-R1037 PolarHBondContact O-NH2 3.46Å |
| 991 | L | 55 | Low | 68.3 | Low | 113 Ų | 113 | 77 Ų | 77 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -8.9 | 172.6 | -60.2 | 168.9 | 0 | 0 | 0 | 113.6 | Y988 K989 | Y988-L991 HydrophobicContact CD1-CD1 3.77Å; Y988-L991 HydrophobicContact CE1-CD1 3.99Å; Y988-L991 HydrophobicContact CG-CD1 4.44Å; Y988-L991 WeakPolarHBondContact O-CA 3.35Å; Y988-L991 VanDerWaalsContact O-CB 3.31Å; Y988-L991 WeakPolarHBondContact O-CB 3.5Å; Y988-L991 PolarHBondContact O-N 3.04Å; K989-L991 PolarHBondContact O-N 3.35Å |
| 992 | R | 60.7 | Low | 67.5 | Low | 132 Ų | 132 | 76.9 Ų | 76.9 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -72.8 | 152.5 | 173.7 | -76.6 | -176.3 | 156.8 | -166.4 | -7.2 | 111.2 | Y883 K989 Y994 R1037 | Y883-R992 HydrophobicContact CD2-CG 3.97Å; Y883-R992 VanDerWaalsContact CE1-NE 3.3Å; Y883-R992 HydrophobicContact CE2-CG 3.76Å; Y883-R992 PolarHBondContact OH-NE 3.16Å; K989-R992 VanDerWaalsContact O-CB 3.31Å; K989-R992 WeakPolarHBondContact O-CB 3.46Å; K989-R992 PolarHBondContact O-N 3Å; R992-Y994 PolarHBondContact O-N 3.38Å; R992-R1037 PolarHBondContact O-NH2 3.43Å |
| 993 | R | 69.5 | Low | 67.3 | Low | 44 Ų | 44 | 83.7 Ų | 83.7 | 17% | 0.166 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -48.1 | 124.3 | 168.4 | -70.9 | -175.1 | -174.3 | 153 | 3.1 | 110 | P809 S810 E870 H871 | P809-R993 PolarHBondContact O-NE 2.94Å; P809-R993 PolarHBondContact O-NH2 3.1Å; S810-R993 WeakPolarHBondContact O-CG 3.44Å; E870-R993 IonicContact OE1-NH1 3.2Å; E870-R993 PolarHBondContact OE1-NH1 3.43Å; E870-R993 WeakPolarHBondContact OE2-CD 3.27Å; E870-R993 IonicContact OE2-CZ 3.16Å; E870-R993 IonicContact OE2-NE 2.68Å; E870-R993 IonicContact OE2-NH1 3.59Å; E870-R993 PolarHBondContact OE2-NH1 2.82Å; H871-R993 VanDerWaalsContact O-CZ 3.3Å; H871-R993 PolarHBondContact O-NH1 2.93Å; H871-R993 PolarHBondContact O-NH2 3.05Å |
| 994 | Y | 72.5 | Confident | 67.7 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 28% | 0.275 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 120.3 | 179.1 | -176.1 | -98.3 | 0 | 0 | 0 | 109.4 | R992 T1033 A1034 S1035 S1036 R1037 | R992-Y994 PolarHBondContact O-N 3.38Å; Y994-T1033 WeakPolarHBondContact CE1-O 3.41Å; Y994-A1034 WeakPolarHBondContact CD1-O 3.4Å; Y994-S1035 WeakPolarHBondContact O-CA 3.5Å; Y994-S1036 VanDerWaalsContact CD1-C 3.49Å; Y994-S1036 WeakPolarHBondContact CD1-O 3.49Å; Y994-S1036 WeakPolarHBondContact CE1-O 3.43Å; Y994-R1037 HydrophobicContact CD1-CG 4.05Å; Y994-R1037 HydrophobicContact CD2-CG 3.56Å; Y994-R1037 HydrophobicContact CE1-CG 4.25Å; Y994-R1037 HydrophobicContact CE2-CG 3.79Å; Y994-R1037 HydrophobicContact CG-CG 3.66Å |
| 995 | F | 83.4 | Confident | 68.3 | Low | 121 Ų | 121 | 84 Ų | 84 | 53% | 0.531 | 45% | 0.447 | S | S | . | . | trans | -142.6 | 113 | 168.9 | -168.1 | -96.8 | 0 | 0 | 0 | 109.4 | F868 V997 A1034 | F868-F995 HydrophobicContact CE1-CD2 4.14Å; F868-F995 AromaticContact CE1-CE2 3.76Å; F868-F995 HydrophobicContact CE1-CE2 3.76Å; F868-F995 AromaticContact CZ-CD2 3.96Å; F868-F995 HydrophobicContact CZ-CD2 3.96Å; F868-F995 AromaticContact CZ-CE2 3.94Å; F868-F995 HydrophobicContact CZ-CE2 3.94Å; F995-V997 HydrophobicContact CD1-CG2 4.42Å; F995-V997 HydrophobicContact CE1-CG2 3.66Å; F995-V997 HydrophobicContact CZ-CG2 3.73Å; F995-A1034 CarbonylContact C-O 3.58Å; F995-A1034 WeakPolarHBondContact CA-O 3.26Å; F995-A1034 HydrophobicContact CD2-CB 4.42Å; F995-A1034 HydrophobicContact CE2-CB 4.11Å | ||
| 996 | S | 78.4 | Confident | 69.4 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 43% | 0.434 | 46% | 0.457 | S | S | . | . | trans | -142.5 | 119 | -179.1 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | A1034 | S996-A1034 PolarHBondContact N-O 3.4Å; S996-A1034 WeakPolarHBondContact O-CA 3.23Å | ||
| 997 | V | 79 | Confident | 70.7 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | trans | -122 | 131.2 | 178.8 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | F995 V1001 A1034 | F995-V997 HydrophobicContact CD1-CG2 4.42Å; F995-V997 HydrophobicContact CE1-CG2 3.66Å; F995-V997 HydrophobicContact CZ-CG2 3.73Å; V997-V1001 HydrophobicContact CG1-CB 4.01Å; V997-V1001 HydrophobicContact CG1-CG2 4.03Å; V997-A1034 HydrophobicContact CG2-CB 4.04Å | ||
| 998 | S | 68.3 | Low | 71.9 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | trans | -81.4 | 161.8 | 174.7 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | A1000 V1001 | S998-A1000 PolarHBondContact O-N 3.48Å; S998-V1001 PolarHBondContact O-N 2.61Å; S998-V1001 VanDerWaalsContact OG-CG2 3.32Å; S998-V1001 WeakPolarHBondContact OG-CG2 3.27Å | ||
| 999 | A | 66.1 | Low | 73.1 | Confident | 109 Ų | 109 | 77 Ų | 77 | 90% | 0.901 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1000 | A | 63.8 | Low | 74.7 | Confident | 96 Ų | 96 | 81 Ų | 81 | 79% | 0.793 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S998 | S998-A1000 PolarHBondContact O-N 3.48Š|
| 1001 | V | 66.4 | Low | 76.3 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 24% | 0.242 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -112.6 | 146 | -177.3 | -127.6 | 0 | 0 | 0 | 0 | 109.4 | V997 S998 Y1003 Q1030 | V997-V1001 HydrophobicContact CG1-CB 4.01Å; V997-V1001 HydrophobicContact CG1-CG2 4.03Å; S998-V1001 PolarHBondContact O-N 2.61Å; S998-V1001 VanDerWaalsContact OG-CG2 3.32Å; S998-V1001 WeakPolarHBondContact OG-CG2 3.27Å; V1001-Y1003 PolarHBondContact O-N 2.86Å; V1001-Q1030 HydrophobicContact CB-CG 4.36Å; V1001-Q1030 HydrophobicContact CG1-CB 3.93Å; V1001-Q1030 HydrophobicContact CG1-CG 3.56Å |
| 1002 | P | 64.7 | Low | 77.9 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | trans | -54.4 | 117.7 | 179.5 | -25.7 | 34.8 | 0 | 0 | 0 | 111 | T1004 Q1030 | P1002-T1004 VanDerWaalsContact C-N 3.34Å; P1002-Q1030 PolarHBondContact O-NE2 2.86Å | ||
| 1003 | Y | 71.2 | Confident | 78.9 | Confident | 198 Ų | 198 | 76.4 Ų | 76.4 | 78% | 0.776 | 42% | 0.422 | S | S | * | . | trans | -92.4 | 3.1 | -179.6 | 62.5 | -93.8 | 0 | 0 | 0 | 112.8 | V1001 | V1001-Y1003 PolarHBondContact O-N 2.86Š| ||
| 1004 | T | 84.7 | Confident | 79.5 | Confident | 66 Ų | 66 | 83 Ų | 83 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -102.6 | 170.6 | 176.8 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | P1002 V1006 W1007 | P1002-T1004 VanDerWaalsContact C-N 3.34Å; T1004-V1006 VanDerWaalsContact C-N 3.26Å; T1004-V1006 PolarHBondContact O-N 2.72Å; T1004-W1007 VanDerWaalsContact O-CD1 3.28Å; T1004-W1007 PolarHBondContact O-NE1 3.07Å |
| 1005 | D | 86.4 | Confident | 80.2 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -74.7 | -7.3 | 176 | 61.9 | -18.2 | 0 | 0 | 0 | 113.8 | I839 I840 | I839-D1005 CarbonylContact C-O 3.48Å; I839-D1005 VanDerWaalsContact CA-O 3.27Å; I839-D1005 WeakPolarHBondContact CA-O 3.19Å; I840-D1005 PolarHBondContact N-O 3.4Å |
| 1006 | V | 90 | Very high | 79.8 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113.2 | 177.4 | -177 | 0 | 0 | 0 | 0 | 110.9 | I840 A842 T1004 | I840-V1006 HydrophobicContact CB-CG2 4.43Å; I840-V1006 CarbonylContact O-C 3.56Å; I840-V1006 WeakPolarHBondContact O-CA 3.35Å; A842-V1006 HydrophobicContact CB-CG1 4.33Å; T1004-V1006 VanDerWaalsContact C-N 3.26Å; T1004-V1006 PolarHBondContact O-N 2.72Å |
| 1007 | W | 90.7 | Very high | 79.9 | Confident | 14 Ų | 14 | 80.9 Ų | 80.9 | 5% | 0.053 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.7 | -176.9 | -66.8 | 6.4 | 0 | 0 | 0 | 111.3 | I839 I840 W841 A842 I866 T1004 H1009 M1027 Q1030 M1031 | I839-W1007 HydrophobicContact CD1-CH2 3.91Å; I839-W1007 HydrophobicContact CD1-CZ2 3.67Å; I839-W1007 HydrophobicContact CG1-CZ2 4.34Å; I839-W1007 HydrophobicContact CG2-CB 4.36Å; I839-W1007 HydrophobicContact CG2-CD2 3.42Å; I839-W1007 VanDerWaalsContact CG2-CD2 3.42Å; I839-W1007 HydrophobicContact CG2-CE3 3.84Å; I839-W1007 HydrophobicContact CG2-CG 3.66Å; I839-W1007 HydrophobicContact CG2-CZ2 4.12Å; I839-W1007 HydrophobicContact CG2-CZ3 4.38Å; I840-W1007 PolarHBondContact O-N 2.66Å; W841-W1007 CarbonylContact C-O 3.51Å; W841-W1007 WeakPolarHBondContact CA-O 3.49Å; A842-W1007 PolarHBondContact N-O 3.24Å; I866-W1007 HydrophobicContact CD1-CE3 4.48Å; T1004-W1007 VanDerWaalsContact O-CD1 3.28Å; T1004-W1007 PolarHBondContact O-NE1 3.07Å; W1007-H1009 AromaticContact CE3-CD2 3.99Å; W1007-M1027 HydrophobicContact CE3-CG 3.67Å; W1007-M1027 HydrophobicContact CE3-SD 4.27Å; W1007-M1027 HydrophobicContact CZ3-CG 3.62Å; W1007-M1027 HydrophobicContact CZ3-SD 4.44Å; W1007-Q1030 HydrophobicContact CH2-CG 4.23Å; W1007-Q1030 HydrophobicContact CZ2-CG 4.47Å; W1007-M1031 HydrophobicContact CE3-CE 4.49Å; W1007-M1031 HydrophobicContact CH2-CE 4.12Å; W1007-M1031 HydrophobicContact CH2-CG 3.78Å; W1007-M1031 HydrophobicContact CZ3-CE 3.56Å; W1007-M1031 HydrophobicContact CZ3-CG 3.84Å |
| 1008 | T | 89.7 | Confident | 80 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | trans | -120.6 | 29.1 | -176.3 | 60 | 0 | 0 | 0 | 0 | 113.9 | A842 K1010 | A842-T1008 HydrophobicContact CB-CG2 4.47Å; A842-T1008 WeakPolarHBondContact O-CA 3.35Å; T1008-K1010 PolarHBondContact O-N 2.67Å | ||
| 1009 | H | 88.5 | Confident | 80.8 | Confident | 31 Ų | 31 | 78.1 Ų | 78.1 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 135.9 | 177.9 | -72.4 | -72.3 | 0 | 0 | 0 | 111.3 | W841 W1007 P1024 M1027 Q1030 | W841-H1009 PolarHBondContact NE1-O 3.17Å; W1007-H1009 AromaticContact CE3-CD2 3.99Å; H1009-P1024 HydrophobicContact CB-CB 4.42Å; H1009-P1024 HydrophobicContact CB-CG 4.3Å; H1009-M1027 HydrophobicContact CB-CB 4.19Å; H1009-M1027 HydrophobicContact CB-CE 3.68Å; H1009-Q1030 PolarHBondContact CE1-OE1 2.88Å; H1009-Q1030 PolarHBondContact NE2-OE1 2.9Å |
| 1010 | K | 87.3 | Confident | 81.5 | Confident | 167 Ų | 167 | 75.4 Ų | 75.4 | 73% | 0.726 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 130.3 | -179.8 | -68.9 | -179.2 | -179.3 | 179.4 | 0 | 110.1 | P844 T1008 P1024 | P844-K1010 HydrophobicContact CG-CB 4.5Å; P844-K1010 HydrophobicContact CG-CG 3.89Å; T1008-K1010 PolarHBondContact O-N 2.67Å; K1010-P1024 WeakPolarHBondContact O-CB 3.31Å; K1010-P1024 WeakPolarHBondContact O-CG 3.18Å |
| 1011 | P | 86.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 148.4 | 173.1 | -23.5 | 32.9 | 0 | 0 | 0 | 111.5 | W841 K843 Q1013 | W841-P1011 HydrophobicContact CH2-CB 4.36Å; W841-P1011 HydrophobicContact CH2-CG 4.4Å; W841-P1011 HydrophobicContact CZ2-CB 4.27Å; W841-P1011 HydrophobicContact CZ2-CG 3.98Å; K843-P1011 HydrophobicContact CB-CG 3.97Å; K843-P1011 HydrophobicContact CD-CG 4.29Å; K843-P1011 HydrophobicContact CG-CG 3.97Å; P1011-Q1013 PolarHBondContact O-N 3.44Å |
| 1012 | V | 86.8 | Confident | 83.5 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -60 | 131.2 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | Y1015 K1018 E1022 | V1012-Y1015 HydrophobicContact CG1-CE1 4.15Å; V1012-K1018 HydrophobicContact CG1-CD 4.46Å; V1012-K1018 PolarHBondContact O-NZ 2.91Å; V1012-E1022 HydrophobicContact CB-CG 4.33Å; V1012-E1022 HydrophobicContact CG1-CG 4.31Å; V1012-E1022 HydrophobicContact CG2-CG 4Å |
| 1013 | Q | 83.1 | Confident | 84.7 | Confident | 143 Ų | 143 | 69.5 Ų | 69.5 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 150.2 | 178.9 | -70 | -62.9 | -22.5 | 0 | 0 | 111 | P1011 Y1015 K1018 | P1011-Q1013 PolarHBondContact O-N 3.44Å; Q1013-Y1015 WeakPolarHBondContact O-CD1 3.44Å; Q1013-K1018 WeakPolarHBondContact O-CD 3.49Å |
| 1014 | Y | 82.4 | Confident | 85.7 | Confident | 183 Ų | 183 | 60.5 Ų | 60.5 | 72% | 0.718 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 137.3 | 178.3 | 176.7 | -95.3 | 0 | 0 | 0 | 111 | ||
| 1015 | Y | 85.4 | Confident | 86 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | trans | -140.8 | 154.6 | 168.4 | 60 | -91.1 | 0 | 0 | 0 | 108.8 | V1012 Q1013 G1017 K1018 E1022 | V1012-Y1015 HydrophobicContact CG1-CE1 4.15Å; Q1013-Y1015 WeakPolarHBondContact O-CD1 3.44Å; Y1015-G1017 PolarHBondContact O-N 2.79Å; Y1015-K1018 HydrophobicContact CD1-CB 3.87Å; Y1015-K1018 HydrophobicContact CD1-CD 4.16Å; Y1015-K1018 HydrophobicContact CD1-CG 4.09Å; Y1015-K1018 HydrophobicContact CD2-CB 4.06Å; Y1015-K1018 HydrophobicContact CE1-CB 3.72Å; Y1015-K1018 HydrophobicContact CE1-CD 4.03Å; Y1015-K1018 HydrophobicContact CE1-CG 3.64Å; Y1015-K1018 HydrophobicContact CE2-CB 3.92Å; Y1015-K1018 HydrophobicContact CG-CB 4.03Å; Y1015-K1018 WeakPolarHBondContact O-CB 3.41Å; Y1015-K1018 PolarHBondContact O-N 3.35Å; Y1015-E1022 WeakPolarHBondContact CE1-OE2 3.34Å; Y1015-E1022 PolarHBondContact OH-OE2 2.93Å | ||
| 1016 | P | 77.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 124.5 | 178.8 | -24.5 | 33.8 | 0 | 0 | 0 | 111.3 | P621 | P621-P1016 HydrophobicContact CG-CG 3.81Š|
| 1017 | G | 79.5 | Confident | 86.3 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1015 R1072 | Y1015-G1017 PolarHBondContact O-N 2.79Å; G1017-R1072 VanDerWaalsContact O-CZ 3.28Å; G1017-R1072 PolarHBondContact O-NH1 2.88Å; G1017-R1072 PolarHBondContact O-NH2 3.33Å |
| 1018 | K | 82 | Confident | 86.4 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | trans | -53.7 | 138.3 | 176.2 | 179.7 | -178.3 | 176.1 | -158.8 | 0 | 112.7 | V1012 Q1013 Y1015 | V1012-K1018 HydrophobicContact CG1-CD 4.46Å; V1012-K1018 PolarHBondContact O-NZ 2.91Å; Q1013-K1018 WeakPolarHBondContact O-CD 3.49Å; Y1015-K1018 HydrophobicContact CD1-CB 3.87Å; Y1015-K1018 HydrophobicContact CD1-CD 4.16Å; Y1015-K1018 HydrophobicContact CD1-CG 4.09Å; Y1015-K1018 HydrophobicContact CD2-CB 4.06Å; Y1015-K1018 HydrophobicContact CE1-CB 3.72Å; Y1015-K1018 HydrophobicContact CE1-CD 4.03Å; Y1015-K1018 HydrophobicContact CE1-CG 3.64Å; Y1015-K1018 HydrophobicContact CE2-CB 3.92Å; Y1015-K1018 HydrophobicContact CG-CB 4.03Å; Y1015-K1018 WeakPolarHBondContact O-CB 3.41Å; Y1015-K1018 PolarHBondContact O-N 3.35Å | ||
| 1019 | H | 83.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 58 Ų | 58 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | trans | -70.1 | 134.5 | 172.4 | -172.9 | -98 | 0 | 0 | 0 | 111.2 | C1021 E1022 | H1019-C1021 PolarHBondContact ND1-N 3.09Å; H1019-C1021 PolarHBondContact O-N 3.02Å; H1019-E1022 HydrophobicContact CB-CB 4.39Å; H1019-E1022 PolarHBondContact O-N 2.93Å | ||
| 1020 | P | 81.8 | Confident | 86.7 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.3 | -175.5 | -27.9 | 35.1 | 0 | 0 | 0 | 116.3 | K778 | K778-P1020 HydrophobicContact CD-CB 4.37Å; K778-P1020 PolarHBondContact NZ-O 3.33Å |
| 1021 | C | 83.6 | Confident | 86.9 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 9% | 0.088 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 17.3 | -177.2 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | K778 H1019 K1023 | K778-C1021 WeakPolarHBondContact CE-SG 3.31Å; H1019-C1021 PolarHBondContact ND1-N 3.09Å; H1019-C1021 PolarHBondContact O-N 3.02Å; C1021-K1023 PolarHBondContact O-N 2.74Å |
| 1022 | E | 88.4 | Confident | 87.2 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 124.9 | -178.7 | -178.4 | 173.2 | 179.1 | 0 | 0 | 113 | V1012 Y1015 H1019 S1049 | V1012-E1022 HydrophobicContact CB-CG 4.33Å; V1012-E1022 HydrophobicContact CG1-CG 4.31Å; V1012-E1022 HydrophobicContact CG2-CG 4Å; Y1015-E1022 WeakPolarHBondContact CE1-OE2 3.34Å; Y1015-E1022 PolarHBondContact OH-OE2 2.93Å; H1019-E1022 HydrophobicContact CB-CB 4.39Å; H1019-E1022 PolarHBondContact O-N 2.93Å; E1022-S1049 WeakPolarHBondContact CG-OG 3.32Å |
| 1023 | K | 91.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 148.9 | -178.4 | -56.2 | -56.1 | -177 | -164.6 | 0 | 112.3 | D771 Y774 F816 W841 E864 C1021 A1025 L1028 | D771-K1023 VanDerWaalsContact CG-CE 3.44Å; D771-K1023 IonicContact OD1-NZ 2.92Å; D771-K1023 WeakPolarHBondContact OD2-CE 3.4Å; D771-K1023 IonicContact OD2-NZ 2.78Å; D771-K1023 PolarHBondContact OD2-NZ 2.73Å; Y774-K1023 PolarHBondContact OH-NZ 3.34Å; F816-K1023 HydrophobicContact CD1-CD 4.19Å; F816-K1023 VanDerWaalsContact CD1-CE 3.48Å; F816-K1023 HydrophobicContact CE1-CD 3.84Å; F816-K1023 HydrophobicContact CE1-CG 4.2Å; F816-K1023 HydrophobicContact CZ-CD 4.27Å; F816-K1023 HydrophobicContact CZ-CG 4.11Å; W841-K1023 HydrophobicContact CZ3-CD 4.17Å; E864-K1023 IonicContact OE2-NZ 3.37Å; E864-K1023 PolarHBondContact OE2-NZ 2.82Å; C1021-K1023 PolarHBondContact O-N 2.74Å; K1023-A1025 PolarHBondContact O-N 3.41Å; K1023-L1028 HydrophobicContact CB-CD1 4.07Å; K1023-L1028 HydrophobicContact CB-CD2 4.2Å; K1023-L1028 HydrophobicContact CB-CG 4.17Å |
| 1024 | P | 91.6 | Very high | 87.8 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 131.8 | 177.6 | -19.8 | 33 | 0 | 0 | 0 | 111.8 | W841 H1009 K1010 D1026 M1027 L1028 | W841-P1024 HydrophobicContact CH2-CG 3.9Å; W841-P1024 HydrophobicContact CZ2-CG 3.6Å; H1009-P1024 HydrophobicContact CB-CB 4.42Å; H1009-P1024 HydrophobicContact CB-CG 4.3Å; K1010-P1024 WeakPolarHBondContact O-CB 3.31Å; K1010-P1024 WeakPolarHBondContact O-CG 3.18Å; P1024-D1026 VanDerWaalsContact C-N 3.25Å; P1024-D1026 PolarHBondContact O-N 2.81Å; P1024-M1027 HydrophobicContact CB-CB 4.33Å; P1024-M1027 HydrophobicContact CG-CE 4.25Å; P1024-M1027 WeakPolarHBondContact O-CB 3.35Å; P1024-M1027 PolarHBondContact O-N 3.11Å; P1024-L1028 PolarHBondContact O-N 3.09Å |
| 1025 | A | 90.6 | Very high | 88.2 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 34% | 0.339 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.6 | -36.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1023 M1027 L1028 R1029 | K1023-A1025 PolarHBondContact O-N 3.41Å; A1025-M1027 PolarHBondContact O-N 2.95Å; A1025-L1028 PolarHBondContact O-N 2.8Å; A1025-R1029 WeakPolarHBondContact O-CB 3.49Å; A1025-R1029 VanDerWaalsContact O-CG 3.29Å; A1025-R1029 WeakPolarHBondContact O-CG 3.35Å; A1025-R1029 PolarHBondContact O-N 2.94Å |
| 1026 | D | 90.1 | Very high | 88.5 | Confident | 101 Ų | 101 | 30 Ų | 30 | 54% | 0.54 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.6 | -35.6 | -179 | -61.1 | -28.1 | 0 | 0 | 0 | 112.5 | P1024 R1029 Q1030 | P1024-D1026 VanDerWaalsContact C-N 3.25Å; P1024-D1026 PolarHBondContact O-N 2.81Å; D1026-R1029 PolarHBondContact O-N 3.39Å; D1026-R1029 IonicContact OD1-NH1 3.51Å; D1026-R1029 PolarHBondContact OD1-NH1 3.39Å; D1026-Q1030 PolarHBondContact O-N 3.08Å |
| 1027 | M | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 173.6 | -175 | -166.3 | -62.4 | 0 | 0 | 111.4 | F816 W841 I866 W1007 H1009 P1024 A1025 R1029 Q1030 M1031 | F816-M1027 HydrophobicContact CE1-SD 3.96Å; F816-M1027 HydrophobicContact CZ-SD 4.07Å; W841-M1027 HydrophobicContact CB-CE 4.23Å; W841-M1027 VanDerWaalsContact CD1-CE 3.49Å; W841-M1027 HydrophobicContact CD2-CE 3.29Å; W841-M1027 HydrophobicContact CE3-CE 3.85Å; W841-M1027 HydrophobicContact CG-CE 3.42Å; W841-M1027 VanDerWaalsContact CG-CE 3.42Å; W841-M1027 HydrophobicContact CH2-CE 4.39Å; W841-M1027 HydrophobicContact CZ2-CE 3.9Å; W841-M1027 HydrophobicContact CZ3-CE 4.36Å; I866-M1027 HydrophobicContact CD1-SD 3.93Å; W1007-M1027 HydrophobicContact CE3-CG 3.67Å; W1007-M1027 HydrophobicContact CE3-SD 4.27Å; W1007-M1027 HydrophobicContact CZ3-CG 3.62Å; W1007-M1027 HydrophobicContact CZ3-SD 4.44Å; H1009-M1027 HydrophobicContact CB-CB 4.19Å; H1009-M1027 HydrophobicContact CB-CE 3.68Å; P1024-M1027 HydrophobicContact CB-CB 4.33Å; P1024-M1027 HydrophobicContact CG-CE 4.25Å; P1024-M1027 WeakPolarHBondContact O-CB 3.35Å; P1024-M1027 PolarHBondContact O-N 3.11Å; A1025-M1027 PolarHBondContact O-N 2.95Å; M1027-R1029 VanDerWaalsContact C-N 3.32Å; M1027-R1029 PolarHBondContact O-N 2.91Å; M1027-Q1030 WeakPolarHBondContact O-CB 3.26Å; M1027-Q1030 PolarHBondContact O-N 2.69Å; M1027-M1031 HydrophobicContact CG-CE 4.22Å; M1027-M1031 PolarHBondContact O-N 3.21Å; M1027-M1031 HydrophobicContact SD-CE 4.15Å |
| 1028 | L | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 178.7 | -62.6 | 172 | 0 | 0 | 0 | 110.9 | V769 F816 K1023 P1024 A1025 Q1030 M1031 I1032 S1051 A1055 | V769-L1028 HydrophobicContact CG1-CD2 3.99Å; F816-L1028 HydrophobicContact CZ-CD2 4.38Å; K1023-L1028 HydrophobicContact CB-CD1 4.07Å; K1023-L1028 HydrophobicContact CB-CD2 4.2Å; K1023-L1028 HydrophobicContact CB-CG 4.17Å; P1024-L1028 PolarHBondContact O-N 3.09Å; A1025-L1028 PolarHBondContact O-N 2.8Å; L1028-Q1030 VanDerWaalsContact C-N 3.31Å; L1028-Q1030 PolarHBondContact O-N 2.77Å; L1028-M1031 HydrophobicContact CD2-SD 4.46Å; L1028-M1031 PolarHBondContact O-N 2.75Å; L1028-I1032 WeakPolarHBondContact O-CB 3.41Å; L1028-I1032 WeakPolarHBondContact O-CD1 3.39Å; L1028-I1032 WeakPolarHBondContact O-CG1 3.41Å; L1028-I1032 PolarHBondContact O-N 3Å; L1028-S1051 VanDerWaalsContact CD1-C 3.5Å; L1028-S1051 VanDerWaalsContact CD1-CB 3.49Å; L1028-S1051 WeakPolarHBondContact CD1-OG 3.3Å; L1028-A1055 HydrophobicContact CB-CB 3.98Å |
| 1029 | R | 92.3 | Very high | 89.3 | Confident | 96 Ų | 96 | 31.4 Ų | 31.4 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 173.4 | -74 | 177.9 | -170.5 | 123.1 | 0.1 | 112.6 | A1025 D1026 M1027 T1033 A1055 L1059 | A1025-R1029 WeakPolarHBondContact O-CB 3.49Å; A1025-R1029 VanDerWaalsContact O-CG 3.29Å; A1025-R1029 WeakPolarHBondContact O-CG 3.35Å; A1025-R1029 PolarHBondContact O-N 2.94Å; D1026-R1029 PolarHBondContact O-N 3.39Å; D1026-R1029 IonicContact OD1-NH1 3.51Å; D1026-R1029 PolarHBondContact OD1-NH1 3.39Å; M1027-R1029 VanDerWaalsContact C-N 3.32Å; M1027-R1029 PolarHBondContact O-N 2.91Å; R1029-T1033 WeakPolarHBondContact O-CB 3.15Å; R1029-T1033 PolarHBondContact O-N 3.27Å; R1029-T1033 PolarHBondContact O-OG1 3.26Å; R1029-A1055 HydrophobicContact CG-CB 4.16Å; R1029-L1059 HydrophobicContact CB-CD1 4.03Å; R1029-L1059 HydrophobicContact CG-CD1 4.01Å; R1029-L1059 HydrophobicContact CG-CG 4.34Å |
| 1030 | Q | 91 | Very high | 89.6 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -50.2 | 174.1 | 173.4 | 176 | 1.9 | 0 | 0 | 110.9 | V1001 P1002 W1007 H1009 D1026 M1027 L1028 I1032 T1033 A1034 | V1001-Q1030 HydrophobicContact CB-CG 4.36Å; V1001-Q1030 HydrophobicContact CG1-CB 3.93Å; V1001-Q1030 HydrophobicContact CG1-CG 3.56Å; P1002-Q1030 PolarHBondContact O-NE2 2.86Å; W1007-Q1030 HydrophobicContact CH2-CG 4.23Å; W1007-Q1030 HydrophobicContact CZ2-CG 4.47Å; H1009-Q1030 PolarHBondContact CE1-OE1 2.88Å; H1009-Q1030 PolarHBondContact NE2-OE1 2.9Å; D1026-Q1030 PolarHBondContact O-N 3.08Å; M1027-Q1030 WeakPolarHBondContact O-CB 3.26Å; M1027-Q1030 PolarHBondContact O-N 2.69Å; L1028-Q1030 VanDerWaalsContact C-N 3.31Å; L1028-Q1030 PolarHBondContact O-N 2.77Å; Q1030-I1032 PolarHBondContact O-N 2.86Å; Q1030-T1033 PolarHBondContact O-N 2.87Å; Q1030-A1034 WeakPolarHBondContact O-CB 3.36Å; Q1030-A1034 PolarHBondContact O-N 2.84Å |
| 1031 | M | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 178.3 | -66.6 | 172.4 | 170.5 | 0 | 0 | 112.1 | V769 Y814 F816 I866 W1007 M1027 L1028 A1034 S1035 | V769-M1031 HydrophobicContact CG1-SD 3.83Å; V769-M1031 HydrophobicContact CG2-CB 4.39Å; Y814-M1031 HydrophobicContact CD1-CE 4.05Å; Y814-M1031 HydrophobicContact CD1-CG 4.09Å; Y814-M1031 HydrophobicContact CD1-SD 4.15Å; Y814-M1031 HydrophobicContact CD2-CB 4.43Å; Y814-M1031 HydrophobicContact CE1-CG 4.06Å; Y814-M1031 HydrophobicContact CE2-CB 4.27Å; Y814-M1031 HydrophobicContact CG-CG 4.39Å; Y814-M1031 HydrophobicContact CG-SD 4.19Å; F816-M1031 HydrophobicContact CE1-CE 4.28Å; F816-M1031 HydrophobicContact CE2-CE 4.1Å; F816-M1031 HydrophobicContact CE2-SD 4.29Å; F816-M1031 HydrophobicContact CZ-CE 3.59Å; F816-M1031 HydrophobicContact CZ-SD 4.12Å; I866-M1031 HydrophobicContact CB-CE 4.5Å; I866-M1031 HydrophobicContact CD1-CE 3.44Å; I866-M1031 VanDerWaalsContact CD1-CE 3.44Å; I866-M1031 HydrophobicContact CG1-CE 4.44Å; I866-M1031 HydrophobicContact CG2-CE 3.71Å; W1007-M1031 HydrophobicContact CE3-CE 4.49Å; W1007-M1031 HydrophobicContact CH2-CE 4.12Å; W1007-M1031 HydrophobicContact CH2-CG 3.78Å; W1007-M1031 HydrophobicContact CZ3-CE 3.56Å; W1007-M1031 HydrophobicContact CZ3-CG 3.84Å; M1027-M1031 HydrophobicContact CG-CE 4.22Å; M1027-M1031 PolarHBondContact O-N 3.21Å; M1027-M1031 HydrophobicContact SD-CE 4.15Å; L1028-M1031 HydrophobicContact CD2-SD 4.46Å; L1028-M1031 PolarHBondContact O-N 2.75Å; M1031-A1034 PolarHBondContact O-N 3.13Å; M1031-S1035 PolarHBondContact O-N 3.32Å |
| 1032 | I | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.7 | -45.5 | -177.8 | -66 | 163.5 | 0 | 0 | 0 | 110.7 | L767 L1028 Q1030 A1034 S1036 V1042 T1052 A1055 A1056 L1059 R1061 | L767-I1032 HydrophobicContact CD2-CB 4.33Å; L767-I1032 HydrophobicContact CD2-CG1 4.08Å; L1028-I1032 WeakPolarHBondContact O-CB 3.41Å; L1028-I1032 WeakPolarHBondContact O-CD1 3.39Å; L1028-I1032 WeakPolarHBondContact O-CG1 3.41Å; L1028-I1032 PolarHBondContact O-N 3Å; Q1030-I1032 PolarHBondContact O-N 2.86Å; I1032-A1034 VanDerWaalsContact C-N 3.3Å; I1032-A1034 PolarHBondContact O-N 2.95Å; I1032-S1036 WeakPolarHBondContact CG2-OG 3.04Å; I1032-S1036 WeakPolarHBondContact O-CB 3.12Å; I1032-S1036 PolarHBondContact O-N 3Å; I1032-S1036 PolarHBondContact O-OG 3.3Å; I1032-V1042 HydrophobicContact CG1-CG1 4.33Å; I1032-V1042 HydrophobicContact CG2-CG2 4.2Å; I1032-T1052 HydrophobicContact CD1-CG2 4.46Å; I1032-A1055 HydrophobicContact CD1-CB 3.82Å; I1032-A1056 HydrophobicContact CD1-CB 3.96Å; I1032-L1059 HydrophobicContact CB-CD1 3.87Å; I1032-L1059 HydrophobicContact CG2-CD1 3.67Å; I1032-R1061 HydrophobicContact CG2-CG 4.28Å |
| 1033 | T | 91.4 | Very high | 90.5 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 36% | 0.356 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.9 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | Y994 R1029 Q1030 L1059 | Y994-T1033 WeakPolarHBondContact CE1-O 3.41Å; R1029-T1033 WeakPolarHBondContact O-CB 3.15Å; R1029-T1033 PolarHBondContact O-N 3.27Å; R1029-T1033 PolarHBondContact O-OG1 3.26Å; Q1030-T1033 PolarHBondContact O-N 2.87Å; T1033-L1059 WeakPolarHBondContact OG1-CD1 3.41Å |
| 1034 | A | 90.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -47.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y994 F995 S996 V997 Q1030 M1031 I1032 | Y994-A1034 WeakPolarHBondContact CD1-O 3.4Å; F995-A1034 CarbonylContact C-O 3.58Å; F995-A1034 WeakPolarHBondContact CA-O 3.26Å; F995-A1034 HydrophobicContact CD2-CB 4.42Å; F995-A1034 HydrophobicContact CE2-CB 4.11Å; S996-A1034 PolarHBondContact N-O 3.4Å; S996-A1034 WeakPolarHBondContact O-CA 3.23Å; V997-A1034 HydrophobicContact CG2-CB 4.04Å; Q1030-A1034 WeakPolarHBondContact O-CB 3.36Å; Q1030-A1034 PolarHBondContact O-N 2.84Å; M1031-A1034 PolarHBondContact O-N 3.13Å; I1032-A1034 VanDerWaalsContact C-N 3.3Å; I1032-A1034 PolarHBondContact O-N 2.95Å |
| 1035 | S | 91.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -110.9 | 11.9 | -166.4 | -62.5 | 0 | 0 | 0 | 0 | 115.3 | Y814 Y994 M1031 | Y814-S1035 WeakPolarHBondContact CE2-OG 3.19Å; Y814-S1035 PolarHBondContact OH-OG 3.21Å; Y994-S1035 WeakPolarHBondContact O-CA 3.5Å; M1031-S1035 PolarHBondContact O-N 3.32Å |
| 1036 | S | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -147.7 | 154.5 | 174.1 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | Y994 I1032 R1061 | Y994-S1036 VanDerWaalsContact CD1-C 3.49Å; Y994-S1036 WeakPolarHBondContact CD1-O 3.49Å; Y994-S1036 WeakPolarHBondContact CE1-O 3.43Å; I1032-S1036 WeakPolarHBondContact CG2-OG 3.04Å; I1032-S1036 WeakPolarHBondContact O-CB 3.12Å; I1032-S1036 PolarHBondContact O-N 3Å; I1032-S1036 PolarHBondContact O-OG 3.3Å; S1036-R1061 PolarHBondContact O-NH2 3.38Å; S1036-R1061 PolarHBondContact OG-NE 2.93Å | ||
| 1037 | R | 86.3 | Confident | 90 | Very high | 72 Ų | 72 | 21.7 Ų | 21.7 | 27% | 0.272 | 12% | 0.119 | S | C | . | . | trans | -96 | 158.8 | 174 | -60.4 | -178.9 | -174.4 | 164.2 | 11.7 | 111.6 | S990 R992 Y994 G1039 D1040 R1061 | S990-R1037 PolarHBondContact O-NH1 2.98Å; S990-R1037 PolarHBondContact O-NH2 3.46Å; R992-R1037 PolarHBondContact O-NH2 3.43Å; Y994-R1037 HydrophobicContact CD1-CG 4.05Å; Y994-R1037 HydrophobicContact CD2-CG 3.56Å; Y994-R1037 HydrophobicContact CE1-CG 4.25Å; Y994-R1037 HydrophobicContact CE2-CG 3.79Å; Y994-R1037 HydrophobicContact CG-CG 3.66Å; R1037-G1039 PolarHBondContact O-N 2.87Å; R1037-D1040 PolarHBondContact N-OD2 3.41Å; R1037-D1040 VanDerWaalsContact O-CB 3.27Å; R1037-D1040 WeakPolarHBondContact O-CB 3.42Å; R1037-D1040 PolarHBondContact O-N 2.7Å; R1037-D1040 VanDerWaalsContact O-N 3.13Å; R1037-R1061 VanDerWaalsContact C-NE 3.3Å; R1037-R1061 WeakPolarHBondContact O-CD 3.28Å; R1037-R1061 WeakPolarHBondContact O-CG 3.34Å; R1037-R1061 PolarHBondContact O-NE 3.33Å | ||
| 1038 | P | 85.9 | Confident | 89.7 | Confident | 95 Ų | 95 | 22 Ų | 22 | 62% | 0.617 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 133.4 | 168.8 | -20.9 | 30.6 | 0 | 0 | 0 | 110.6 | ||
| 1039 | G | 84.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 22.4 Ų | 22.4 | 38% | 0.381 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -18.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1037 G1060 R1062 | R1037-G1039 PolarHBondContact O-N 2.87Å; G1039-G1060 PolarHBondContact N-O 2.96Å; G1039-R1062 PolarHBondContact O-NE 2.99Å |
| 1040 | D | 89.1 | Confident | 89 | Confident | 34 Ų | 34 | 17.8 Ų | 17.8 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | trans | -62.1 | 156.6 | 177.9 | -74.8 | 1.1 | 0 | 0 | 0 | 112 | D766 R1037 R1061 R1062 | D766-D1040 HydrophobicContact CB-CB 3.76Å; R1037-D1040 PolarHBondContact N-OD2 3.41Å; R1037-D1040 VanDerWaalsContact O-CB 3.27Å; R1037-D1040 WeakPolarHBondContact O-CB 3.42Å; R1037-D1040 PolarHBondContact O-N 2.7Å; R1037-D1040 VanDerWaalsContact O-N 3.13Å; D1040-R1061 HydrophobicContact CB-CG 4.46Å; D1040-R1061 WeakPolarHBondContact O-CB 3.45Å; D1040-R1062 PolarHBondContact O-N 3.23Å | ||
| 1041 | L | 89.6 | Confident | 89 | Confident | 14 Ų | 14 | 17.9 Ų | 17.9 | 7% | 0.073 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.7 | 179.4 | -172.8 | 63.2 | 0 | 0 | 0 | 111.2 | S764 I765 D766 L767 R1062 I1064 | S764-L1041 WeakPolarHBondContact O-CD2 3.32Å; I765-L1041 HydrophobicContact CG1-CD2 4.02Å; I765-L1041 HydrophobicContact CG1-CG 4.43Å; D766-L1041 PolarHBondContact N-O 3.08Å; D766-L1041 VanDerWaalsContact N-O 3.08Å; D766-L1041 PolarHBondContact OD2-N 2.76Å; L767-L1041 PolarHBondContact N-O 2.84Å; L1041-R1062 HydrophobicContact CD1-CB 3.68Å; L1041-I1064 HydrophobicContact CD1-CD1 4.05Å; L1041-I1064 HydrophobicContact CD1-CG1 4.01Å; L1041-I1064 HydrophobicContact CD2-CD1 3.82Å; L1041-I1064 HydrophobicContact CG-CD1 4.21Å |
| 1042 | V | 92.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | L767 I1032 T1052 A1056 R1061 R1062 A1063 I1064 | L767-V1042 HydrophobicContact CB-CG2 4.31Å; L767-V1042 HydrophobicContact CD2-CG1 4.25Å; L767-V1042 HydrophobicContact CD2-CG2 4.18Å; L767-V1042 HydrophobicContact CG-CG1 4.29Å; L767-V1042 CarbonylContact O-C 3.55Å; L767-V1042 VanDerWaalsContact O-CA 3.26Å; L767-V1042 WeakPolarHBondContact O-CA 3.42Å; I1032-V1042 HydrophobicContact CG1-CG1 4.33Å; I1032-V1042 HydrophobicContact CG2-CG2 4.2Å; V1042-T1052 HydrophobicContact CG1-CG2 4.37Å; V1042-A1056 HydrophobicContact CB-CB 3.88Å; V1042-A1056 HydrophobicContact CG1-CB 4.21Å; V1042-A1056 HydrophobicContact CG2-CB 3.99Å; V1042-R1061 HydrophobicContact CG2-CB 3.93Å; V1042-R1061 HydrophobicContact CG2-CG 4.1Å; V1042-R1062 PolarHBondContact N-O 2.81Å; V1042-A1063 CarbonylContact O-C 3.52Å; V1042-A1063 WeakPolarHBondContact O-CA 3.45Å; V1042-I1064 PolarHBondContact O-N 2.92Å |
| 1043 | A | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I765 L767 I768 V769 F1045 I1064 | I765-A1043 HydrophobicContact CD1-CB 3.55Å; I765-A1043 HydrophobicContact CG1-CB 4.15Å; I765-A1043 HydrophobicContact CG2-CB 3.89Å; L767-A1043 PolarHBondContact O-N 3.2Å; I768-A1043 WeakPolarHBondContact CA-O 3.22Å; I768-A1043 HydrophobicContact CG1-CB 4.39Å; V769-A1043 PolarHBondContact N-O 3.4Å; A1043-F1045 HydrophobicContact CB-CE2 3.89Å; A1043-F1045 HydrophobicContact CB-CZ 3.9Å; A1043-I1064 CarbonylContact C-O 3.56Å; A1043-I1064 WeakPolarHBondContact CA-O 3.49Å; A1043-I1064 HydrophobicContact CB-CB 4.34Å |
| 1044 | D | 90.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 108.4 | 167.3 | -168.1 | -11.3 | 0 | 0 | 0 | 109.4 | V769 T770 F1046 M1047 T1052 I1064 G1065 V1066 | V769-D1044 WeakPolarHBondContact O-CA 3.33Å; V769-D1044 VanDerWaalsContact O-CB 3.3Å; V769-D1044 WeakPolarHBondContact O-CB 3.45Å; T770-D1044 WeakPolarHBondContact CA-OD1 3.38Å; T770-D1044 WeakPolarHBondContact CB-OD1 3.39Å; T770-D1044 PolarHBondContact OG1-OD1 2.77Å; D1044-F1046 VanDerWaalsContact C-N 3.26Å; D1044-F1046 PolarHBondContact O-N 3.34Å; D1044-F1046 PolarHBondContact OD1-N 2.64Å; D1044-M1047 HydrophobicContact CB-CB 4.21Å; D1044-M1047 WeakPolarHBondContact OD2-CA 3.45Å; D1044-T1052 HydrophobicContact CB-CG2 4.01Å; D1044-T1052 WeakPolarHBondContact OD2-CB 3.36Å; D1044-T1052 PolarHBondContact OD2-OG1 3.21Å; D1044-I1064 PolarHBondContact N-O 3.4Å; D1044-G1065 CarbonylContact O-C 3.54Å; D1044-G1065 WeakPolarHBondContact O-CA 3.44Å; D1044-V1066 PolarHBondContact O-N 3.43Å |
| 1045 | F | 88.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.3 | -176.8 | -63 | -72.1 | 0 | 0 | 0 | 113.4 | W747 M753 T757 L760 I765 I768 T770 F803 V806 A1043 V1066 | W747-F1045 WeakPolarHBondContact CH2-O 3.39Å; M753-F1045 HydrophobicContact CE-CB 4.06Å; M753-F1045 HydrophobicContact SD-CB 4.15Å; M753-F1045 HydrophobicContact SD-CD1 4.32Å; M753-F1045 HydrophobicContact SD-CG 4.35Å; T757-F1045 HydrophobicContact CG2-CD1 4.03Å; T757-F1045 HydrophobicContact CG2-CE1 3.67Å; T757-F1045 HydrophobicContact CG2-CZ 4.08Å; L760-F1045 HydrophobicContact CD1-CE1 4.03Å; L760-F1045 HydrophobicContact CD1-CZ 4.19Å; I765-F1045 HydrophobicContact CD1-CE2 4.27Å; I765-F1045 HydrophobicContact CD1-CZ 3.63Å; I768-F1045 HydrophobicContact CD1-CE2 4.04Å; I768-F1045 HydrophobicContact CG1-CE2 4.12Å; I768-F1045 HydrophobicContact CG2-CD2 4.06Å; I768-F1045 HydrophobicContact CG2-CE2 4.11Å; T770-F1045 PolarHBondContact OG1-N 3.34Å; T770-F1045 VanDerWaalsContact OG1-N 3.12Å; F803-F1045 AromaticContact CD1-CD2 3.65Å; F803-F1045 HydrophobicContact CD1-CD2 3.65Å; F803-F1045 AromaticContact CD1-CE2 3.65Å; F803-F1045 HydrophobicContact CD1-CE2 3.65Å; F803-F1045 HydrophobicContact CD1-CG 4.47Å; F803-F1045 HydrophobicContact CE1-CB 3.97Å; F803-F1045 AromaticContact CE1-CD2 3.09Å; F803-F1045 HydrophobicContact CE1-CD2 3.09Å; F803-F1045 AromaticContact CE1-CE2 3.61Å; F803-F1045 HydrophobicContact CE1-CE2 3.61Å; F803-F1045 AromaticContact CE1-CG 3.61Å; F803-F1045 HydrophobicContact CE1-CG 3.61Å; F803-F1045 HydrophobicContact CE1-CZ 4.49Å; F803-F1045 HydrophobicContact CZ-CB 4.06Å; F803-F1045 AromaticContact CZ-CD2 3.67Å; F803-F1045 HydrophobicContact CZ-CD2 3.67Å; F803-F1045 HydrophobicContact CZ-CE2 4.49Å; F803-F1045 HydrophobicContact CZ-CG 4.15Å; V806-F1045 HydrophobicContact CG2-CZ 4.21Å; A1043-F1045 HydrophobicContact CB-CE2 3.89Å; A1043-F1045 HydrophobicContact CB-CZ 3.9Å; F1045-V1066 HydrophobicContact CD1-CG2 3.86Å |
| 1046 | F | 88.2 | Confident | 88.7 | Confident | 14 Ų | 14 | 18.2 Ų | 18.2 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | 57.2 | 179.1 | -57.6 | -71.1 | 0 | 0 | 0 | 109.3 | W747 M753 T770 D771 P772 W795 F803 D1044 G1048 | W747-F1046 HydrophobicContact CD2-CD1 4.44Å; W747-F1046 HydrophobicContact CD2-CE1 4.01Å; W747-F1046 HydrophobicContact CE3-CD1 4.42Å; W747-F1046 AromaticContact CE3-CE1 3.74Å; W747-F1046 HydrophobicContact CE3-CE1 3.74Å; W747-F1046 AromaticContact CH2-CD1 3.58Å; W747-F1046 HydrophobicContact CH2-CD1 3.58Å; W747-F1046 AromaticContact CH2-CE1 3.62Å; W747-F1046 HydrophobicContact CH2-CE1 3.62Å; W747-F1046 AromaticContact CZ2-CD1 3.58Å; W747-F1046 HydrophobicContact CZ2-CD1 3.58Å; W747-F1046 AromaticContact CZ2-CE1 3.89Å; W747-F1046 HydrophobicContact CZ2-CE1 3.89Å; W747-F1046 HydrophobicContact CZ3-CD1 4.01Å; W747-F1046 AromaticContact CZ3-CE1 3.53Å; W747-F1046 HydrophobicContact CZ3-CE1 3.53Å; W747-F1046 HydrophobicContact CZ3-CZ 4.49Å; M753-F1046 HydrophobicContact CE-CE1 3.66Å; M753-F1046 HydrophobicContact CE-CE2 3.9Å; M753-F1046 HydrophobicContact CE-CZ 3.22Å; T770-F1046 HydrophobicContact CG2-CD2 4.22Å; T770-F1046 VanDerWaalsContact OG1-CD2 3.26Å; T770-F1046 WeakPolarHBondContact OG1-CD2 3.35Å; T770-F1046 PolarHBondContact OG1-N 3.33Å; D771-F1046 VanDerWaalsContact O-CB 3.23Å; D771-F1046 WeakPolarHBondContact O-CB 3.22Å; P772-F1046 HydrophobicContact CB-CD2 3.82Å; P772-F1046 HydrophobicContact CB-CE2 3.72Å; P772-F1046 HydrophobicContact CB-CG 4.44Å; P772-F1046 HydrophobicContact CB-CZ 4.24Å; W795-F1046 AromaticContact CH2-CE1 3.61Å; W795-F1046 HydrophobicContact CH2-CE1 3.61Å; W795-F1046 HydrophobicContact CH2-CE2 4.33Å; W795-F1046 AromaticContact CH2-CZ 3.39Å; W795-F1046 HydrophobicContact CH2-CZ 3.39Å; W795-F1046 AromaticContact CZ2-CE1 3.65Å; W795-F1046 HydrophobicContact CZ2-CE1 3.65Å; W795-F1046 AromaticContact CZ2-CZ 3.61Å; W795-F1046 HydrophobicContact CZ2-CZ 3.61Å; F803-F1046 HydrophobicContact CZ-CE2 4.09Å; D1044-F1046 VanDerWaalsContact C-N 3.26Å; D1044-F1046 PolarHBondContact O-N 3.34Å; D1044-F1046 PolarHBondContact OD1-N 2.64Å; F1046-G1048 VanDerWaalsContact C-N 3.3Å; F1046-G1048 PolarHBondContact O-N 3.08Å |
| 1047 | M | 85.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | trans | -67.8 | -22.3 | -160.8 | 72.6 | 168.4 | 176.4 | 0 | 0 | 115.6 | L739 D1044 S1049 G1050 V1053 V1066 E1067 F1073 T1076 | L739-M1047 HydrophobicContact CD2-CE 4.19Å; L739-M1047 HydrophobicContact CD2-SD 3.83Å; D1044-M1047 HydrophobicContact CB-CB 4.21Å; D1044-M1047 WeakPolarHBondContact OD2-CA 3.45Å; M1047-S1049 PolarHBondContact O-N 3.21Å; M1047-G1050 WeakPolarHBondContact O-CA 3.26Å; M1047-G1050 PolarHBondContact O-N 3.13Å; M1047-V1053 HydrophobicContact SD-CG2 4.28Å; M1047-V1066 WeakPolarHBondContact CG-O 3.46Å; M1047-V1066 PolarHBondContact N-O 2.87Å; M1047-E1067 HydrophobicContact CE-CB 3.29Å; M1047-E1067 HydrophobicContact CE-CG 4.18Å; M1047-E1067 HydrophobicContact CG-CB 3.81Å; M1047-E1067 HydrophobicContact SD-CB 4.37Å; M1047-F1073 HydrophobicContact CE-CB 4.38Å; M1047-F1073 HydrophobicContact CE-CD2 3.72Å; M1047-F1073 HydrophobicContact CE-CE2 4.49Å; M1047-F1073 HydrophobicContact CE-CG 4.46Å; M1047-T1076 HydrophobicContact CE-CG2 4.24Å; M1047-T1076 HydrophobicContact SD-CG2 3.97Å | ||
| 1048 | G | 84.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 18 Ų | 18 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -109.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1046 G1050 E1067 | F1046-G1048 VanDerWaalsContact C-N 3.3Å; F1046-G1048 PolarHBondContact O-N 3.08Å; G1048-G1050 PolarHBondContact O-N 3.01Å; G1048-E1067 WeakPolarHBondContact CA-OE2 3.45Å; G1048-E1067 PolarHBondContact N-OE2 3.27Å |
| 1049 | S | 84.7 | Confident | 88.7 | Confident | 8 Ų | 8 | 15.7 Ų | 15.7 | 6% | 0.056 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -3.9 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | E1022 M1047 S1051 K1054 T1076 | E1022-S1049 WeakPolarHBondContact CG-OG 3.32Å; M1047-S1049 PolarHBondContact O-N 3.21Å; S1049-S1051 VanDerWaalsContact C-N 3.28Å; S1049-S1051 PolarHBondContact O-N 3.22Å; S1049-S1051 PolarHBondContact OG-OG 2.88Å; S1049-K1054 PolarHBondContact O-NZ 3.39Å; S1049-K1054 VanDerWaalsContact O-NZ 3.13Å; S1049-T1076 PolarHBondContact O-OG1 3.44Å |
| 1050 | G | 86.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 16.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1047 G1048 T1052 V1053 K1054 | M1047-G1050 WeakPolarHBondContact O-CA 3.26Å; M1047-G1050 PolarHBondContact O-N 3.13Å; G1048-G1050 PolarHBondContact O-N 3.01Å; G1050-T1052 VanDerWaalsContact C-N 3.3Å; G1050-T1052 PolarHBondContact O-N 2.67Å; G1050-V1053 PolarHBondContact O-N 2.83Å; G1050-K1054 WeakPolarHBondContact O-CB 3.45Å; G1050-K1054 VanDerWaalsContact O-CG 3.26Å; G1050-K1054 WeakPolarHBondContact O-CG 3.35Å; G1050-K1054 PolarHBondContact O-N 2.84Å |
| 1051 | S | 90.5 | Very high | 88.8 | Confident | 15 Ų | 15 | 15.4 Ų | 15.4 | 11% | 0.105 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | -175.1 | 49.6 | 0 | 0 | 0 | 0 | 113 | L1028 S1049 A1055 | L1028-S1051 VanDerWaalsContact CD1-C 3.5Å; L1028-S1051 VanDerWaalsContact CD1-CB 3.49Å; L1028-S1051 WeakPolarHBondContact CD1-OG 3.3Å; S1049-S1051 VanDerWaalsContact C-N 3.28Å; S1049-S1051 PolarHBondContact O-N 3.22Å; S1049-S1051 PolarHBondContact OG-OG 2.88Å; S1051-A1055 VanDerWaalsContact O-CB 3.31Å; S1051-A1055 WeakPolarHBondContact O-CB 3.2Å; S1051-A1055 PolarHBondContact O-N 3.1Å |
| 1052 | T | 91.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.7 | -47.2 | 178.7 | -48 | 0 | 0 | 0 | 0 | 111.3 | V769 I1032 V1042 D1044 G1050 A1055 A1056 | V769-T1052 HydrophobicContact CB-CG2 3.79Å; V769-T1052 HydrophobicContact CG1-CG2 3.95Å; I1032-T1052 HydrophobicContact CD1-CG2 4.46Å; V1042-T1052 HydrophobicContact CG1-CG2 4.37Å; D1044-T1052 HydrophobicContact CB-CG2 4.01Å; D1044-T1052 WeakPolarHBondContact OD2-CB 3.36Å; D1044-T1052 PolarHBondContact OD2-OG1 3.21Å; G1050-T1052 VanDerWaalsContact C-N 3.3Å; G1050-T1052 PolarHBondContact O-N 2.67Å; T1052-A1055 PolarHBondContact O-N 2.69Å; T1052-A1056 WeakPolarHBondContact O-CB 3.3Å; T1052-A1056 PolarHBondContact O-N 3.11Å |
| 1053 | V | 89.6 | Confident | 88.3 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | L739 M1047 G1050 A1055 A1056 M1057 A1063 V1080 | L739-V1053 HydrophobicContact CD2-CG1 4.16Å; L739-V1053 HydrophobicContact CD2-CG2 4.38Å; M1047-V1053 HydrophobicContact SD-CG2 4.28Å; G1050-V1053 PolarHBondContact O-N 2.83Å; V1053-A1055 VanDerWaalsContact C-N 3.31Å; V1053-A1055 PolarHBondContact O-N 3.16Å; V1053-A1056 PolarHBondContact O-N 2.82Å; V1053-M1057 HydrophobicContact CG1-SD 4.19Å; V1053-M1057 WeakPolarHBondContact O-CG 3.12Å; V1053-M1057 PolarHBondContact O-N 3.2Å; V1053-A1063 HydrophobicContact CB-CB 4.27Å; V1053-A1063 HydrophobicContact CG1-CB 3.79Å; V1053-A1063 HydrophobicContact CG2-CB 4.41Å; V1053-V1080 HydrophobicContact CG1-CG2 4.14Å |
| 1054 | K | 89.5 | Confident | 88.1 | Confident | 66 Ų | 66 | 20 Ų | 20 | 29% | 0.287 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 177.1 | -70.7 | 166.1 | 179.3 | 170.7 | 0 | 111.6 | S1049 G1050 A1058 D1079 | S1049-K1054 PolarHBondContact O-NZ 3.39Å; S1049-K1054 VanDerWaalsContact O-NZ 3.13Å; G1050-K1054 WeakPolarHBondContact O-CB 3.45Å; G1050-K1054 VanDerWaalsContact O-CG 3.26Å; G1050-K1054 WeakPolarHBondContact O-CG 3.35Å; G1050-K1054 PolarHBondContact O-N 2.84Å; K1054-A1058 VanDerWaalsContact O-CB 3.26Å; K1054-A1058 WeakPolarHBondContact O-CB 3.12Å; K1054-A1058 PolarHBondContact O-N 3.33Å; K1054-D1079 VanDerWaalsContact CE-CB 3.49Å; K1054-D1079 WeakPolarHBondContact CE-OD2 3.38Å; K1054-D1079 IonicContact NZ-OD2 2.69Å; K1054-D1079 PolarHBondContact NZ-OD2 2.99Å |
| 1055 | A | 91.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1028 R1029 I1032 S1051 T1052 V1053 A1058 L1059 | L1028-A1055 HydrophobicContact CB-CB 3.98Å; R1029-A1055 HydrophobicContact CG-CB 4.16Å; I1032-A1055 HydrophobicContact CD1-CB 3.82Å; S1051-A1055 VanDerWaalsContact O-CB 3.31Å; S1051-A1055 WeakPolarHBondContact O-CB 3.2Å; S1051-A1055 PolarHBondContact O-N 3.1Å; T1052-A1055 PolarHBondContact O-N 2.69Å; V1053-A1055 VanDerWaalsContact C-N 3.31Å; V1053-A1055 PolarHBondContact O-N 3.16Å; A1055-A1058 PolarHBondContact O-N 2.8Å; A1055-L1059 WeakPolarHBondContact O-CG 3.44Å; A1055-L1059 PolarHBondContact O-N 3.48Å; A1055-L1059 VanDerWaalsContact O-N 3.08Å |
| 1056 | A | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1032 V1042 T1052 V1053 A1058 L1059 G1060 R1061 A1063 | I1032-A1056 HydrophobicContact CD1-CB 3.96Å; V1042-A1056 HydrophobicContact CB-CB 3.88Å; V1042-A1056 HydrophobicContact CG1-CB 4.21Å; V1042-A1056 HydrophobicContact CG2-CB 3.99Å; T1052-A1056 WeakPolarHBondContact O-CB 3.3Å; T1052-A1056 PolarHBondContact O-N 3.11Å; V1053-A1056 PolarHBondContact O-N 2.82Å; A1056-A1058 VanDerWaalsContact C-N 3.35Å; A1056-A1058 PolarHBondContact O-N 2.95Å; A1056-L1059 CarbonylContact O-C 3.6Å; A1056-L1059 PolarHBondContact O-N 3.03Å; A1056-G1060 PolarHBondContact O-N 2.95Å; A1056-R1061 HydrophobicContact CB-CB 4.2Å; A1056-R1061 WeakPolarHBondContact O-CB 3.06Å; A1056-R1061 PolarHBondContact O-N 3.02Å; A1056-A1063 HydrophobicContact CB-CB 4Å |
| 1057 | M | 86.9 | Confident | 87.3 | Confident | 21 Ų | 21 | 19.8 Ų | 19.8 | 10% | 0.103 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.3 | -66.7 | -176 | 74.9 | 0 | 0 | 111.9 | A737 V1053 L1059 G1060 A1063 V1080 I1084 R1087 | A737-M1057 HydrophobicContact CB-CE 3.81Å; A737-M1057 HydrophobicContact CB-CG 4.45Å; A737-M1057 HydrophobicContact CB-SD 3.54Å; A737-M1057 VanDerWaalsContact CB-SD 3.54Å; V1053-M1057 HydrophobicContact CG1-SD 4.19Å; V1053-M1057 WeakPolarHBondContact O-CG 3.12Å; V1053-M1057 PolarHBondContact O-N 3.2Å; M1057-L1059 PolarHBondContact O-N 3.19Å; M1057-G1060 PolarHBondContact O-N 3.1Å; M1057-A1063 HydrophobicContact CG-CB 4.25Å; M1057-V1080 HydrophobicContact CE-CG1 3.64Å; M1057-V1080 HydrophobicContact SD-CB 4.27Å; M1057-V1080 HydrophobicContact SD-CG1 3.45Å; M1057-V1080 WeakPolarHBondContact SD-CG1 3.34Å; M1057-V1080 HydrophobicContact SD-CG2 3.89Å; M1057-I1084 HydrophobicContact CE-CD1 3.86Å; M1057-I1084 HydrophobicContact CE-CG1 3.73Å; M1057-R1087 PolarHBondContact O-NH1 3.08Å; M1057-R1087 PolarHBondContact O-NH2 3.34Å |
| 1058 | A | 87.4 | Confident | 86.9 | Confident | 45 Ų | 45 | 21 Ų | 21 | 37% | 0.372 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -56.8 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1054 A1055 A1056 G1060 R1087 | K1054-A1058 VanDerWaalsContact O-CB 3.26Å; K1054-A1058 WeakPolarHBondContact O-CB 3.12Å; K1054-A1058 PolarHBondContact O-N 3.33Å; A1055-A1058 PolarHBondContact O-N 2.8Å; A1056-A1058 VanDerWaalsContact C-N 3.35Å; A1056-A1058 PolarHBondContact O-N 2.95Å; A1058-G1060 VanDerWaalsContact C-N 3.33Å; A1058-R1087 VanDerWaalsContact CA-NH2 3.32Å; A1058-R1087 PolarHBondContact O-NH2 3.38Å |
| 1059 | L | 89.3 | Confident | 86.6 | Confident | 47 Ų | 47 | 24 Ų | 24 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 4.3 | 177.1 | -65.8 | 171.3 | 0 | 0 | 0 | 114 | R1029 I1032 T1033 A1055 A1056 M1057 R1061 | R1029-L1059 HydrophobicContact CB-CD1 4.03Å; R1029-L1059 HydrophobicContact CG-CD1 4.01Å; R1029-L1059 HydrophobicContact CG-CG 4.34Å; I1032-L1059 HydrophobicContact CB-CD1 3.87Å; I1032-L1059 HydrophobicContact CG2-CD1 3.67Å; T1033-L1059 WeakPolarHBondContact OG1-CD1 3.41Å; A1055-L1059 WeakPolarHBondContact O-CG 3.44Å; A1055-L1059 PolarHBondContact O-N 3.48Å; A1055-L1059 VanDerWaalsContact O-N 3.08Å; A1056-L1059 CarbonylContact O-C 3.6Å; A1056-L1059 PolarHBondContact O-N 3.03Å; M1057-L1059 PolarHBondContact O-N 3.19Å; L1059-R1061 WeakPolarHBondContact O-CD 3.28Å; L1059-R1061 PolarHBondContact O-NH1 3.43Å |
| 1060 | G | 84.9 | Confident | 86.1 | Confident | 41 Ų | 41 | 24.8 Ų | 24.8 | 42% | 0.423 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 28.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | G1039 A1056 M1057 A1058 | G1039-G1060 PolarHBondContact N-O 2.96Å; A1056-G1060 PolarHBondContact O-N 2.95Å; M1057-G1060 PolarHBondContact O-N 3.1Å; A1058-G1060 VanDerWaalsContact C-N 3.33Å |
| 1061 | R | 89 | Confident | 85.8 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 9% | 0.094 | 17% | 0.169 | C | C | . | . | trans | -100.3 | 158.6 | 170.2 | -77.2 | 65.8 | 169.6 | 161.7 | 0.7 | 109.8 | I1032 S1036 R1037 D1040 V1042 A1056 L1059 | I1032-R1061 HydrophobicContact CG2-CG 4.28Å; S1036-R1061 PolarHBondContact O-NH2 3.38Å; S1036-R1061 PolarHBondContact OG-NE 2.93Å; R1037-R1061 VanDerWaalsContact C-NE 3.3Å; R1037-R1061 WeakPolarHBondContact O-CD 3.28Å; R1037-R1061 WeakPolarHBondContact O-CG 3.34Å; R1037-R1061 PolarHBondContact O-NE 3.33Å; D1040-R1061 HydrophobicContact CB-CG 4.46Å; D1040-R1061 WeakPolarHBondContact O-CB 3.45Å; V1042-R1061 HydrophobicContact CG2-CB 3.93Å; V1042-R1061 HydrophobicContact CG2-CG 4.1Å; A1056-R1061 HydrophobicContact CB-CB 4.2Å; A1056-R1061 WeakPolarHBondContact O-CB 3.06Å; A1056-R1061 PolarHBondContact O-N 3.02Å; L1059-R1061 WeakPolarHBondContact O-CD 3.28Å; L1059-R1061 PolarHBondContact O-NH1 3.43Å | ||
| 1062 | R | 86.5 | Confident | 85.3 | Confident | 102 Ų | 102 | 32.6 Ų | 32.6 | 39% | 0.385 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 148.3 | 168.2 | -64.5 | 177.7 | -64.6 | 142.2 | 3.6 | 108.5 | G1039 D1040 L1041 V1042 | G1039-R1062 PolarHBondContact O-NE 2.99Å; D1040-R1062 PolarHBondContact O-N 3.23Å; L1041-R1062 HydrophobicContact CD1-CB 3.68Å; V1042-R1062 PolarHBondContact N-O 2.81Å |
| 1063 | A | 86.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V738 V1042 V1053 A1056 M1057 | V738-A1063 PolarHBondContact N-O 3.39Å; V738-A1063 VanDerWaalsContact N-O 3.1Å; V1042-A1063 CarbonylContact O-C 3.52Å; V1042-A1063 WeakPolarHBondContact O-CA 3.45Å; V1053-A1063 HydrophobicContact CB-CB 4.27Å; V1053-A1063 HydrophobicContact CG1-CB 3.79Å; V1053-A1063 HydrophobicContact CG2-CB 4.41Å; A1056-A1063 HydrophobicContact CB-CB 4Å; M1057-A1063 HydrophobicContact CG-CB 4.25Å |
| 1064 | I | 86.6 | Confident | 84.4 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.3 | 167.8 | -66.4 | 169.9 | 0 | 0 | 0 | 108.3 | V738 L760 L1041 V1042 A1043 D1044 | V738-I1064 HydrophobicContact CB-CG1 4.4Å; V738-I1064 WeakPolarHBondContact O-CA 3.34Å; L760-I1064 HydrophobicContact CD1-CD1 4.48Å; L760-I1064 HydrophobicContact CD2-CD1 3.88Å; L1041-I1064 HydrophobicContact CD1-CD1 4.05Å; L1041-I1064 HydrophobicContact CD1-CG1 4.01Å; L1041-I1064 HydrophobicContact CD2-CD1 3.82Å; L1041-I1064 HydrophobicContact CG-CD1 4.21Å; V1042-I1064 PolarHBondContact O-N 2.92Å; A1043-I1064 CarbonylContact C-O 3.56Å; A1043-I1064 WeakPolarHBondContact CA-O 3.49Å; A1043-I1064 HydrophobicContact CB-CB 4.34Å; D1044-I1064 PolarHBondContact N-O 3.4Å |
| 1065 | G | 84.7 | Confident | 84 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V738 H740 D1044 | V738-G1065 PolarHBondContact O-N 3.36Å; H740-G1065 PolarHBondContact N-O 2.94Å; D1044-G1065 CarbonylContact O-C 3.54Å; D1044-G1065 WeakPolarHBondContact O-CA 3.44Å |
| 1066 | V | 83.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.9 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | H740 L742 W747 T756 D1044 F1045 M1047 | H740-V1066 HydrophobicContact CB-CG2 4.37Å; L742-V1066 HydrophobicContact CD1-CG1 3.53Å; L742-V1066 HydrophobicContact CG-CG1 4.1Å; W747-V1066 HydrophobicContact CH2-CG1 4.28Å; T756-V1066 HydrophobicContact CG2-CG1 4.02Å; T756-V1066 HydrophobicContact CG2-CG2 3.63Å; D1044-V1066 PolarHBondContact O-N 3.43Å; F1045-V1066 HydrophobicContact CD1-CG2 3.86Å; M1047-V1066 WeakPolarHBondContact CG-O 3.46Å; M1047-V1066 PolarHBondContact N-O 2.87Å |
| 1067 | E | 82.3 | Confident | 83 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.6 | 178.5 | -179.2 | 49.5 | -116.6 | 0 | 0 | 111.5 | H740 L742 M1047 G1048 E1069 R1072 F1073 | H740-E1067 PolarHBondContact O-N 3.45Å; L742-E1067 PolarHBondContact N-O 3.48Å; M1047-E1067 HydrophobicContact CE-CB 3.29Å; M1047-E1067 HydrophobicContact CE-CG 4.18Å; M1047-E1067 HydrophobicContact CG-CB 3.81Å; M1047-E1067 HydrophobicContact SD-CB 4.37Å; G1048-E1067 WeakPolarHBondContact CA-OE2 3.45Å; G1048-E1067 PolarHBondContact N-OE2 3.27Å; E1067-E1069 WeakPolarHBondContact CG-O 3.5Å; E1067-E1069 PolarHBondContact OE1-N 3.29Å; E1067-R1072 HydrophobicContact CG-CB 3.8Å; E1067-F1073 HydrophobicContact CB-CB 4.14Å; E1067-F1073 HydrophobicContact CB-CD2 4.46Å; E1067-F1073 HydrophobicContact CG-CB 4.21Å |
| 1068 | L | 76.7 | Confident | 82.8 | Confident | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -85.7 | -42.1 | 177 | -177.5 | 74.6 | 0 | 0 | 0 | 111.4 | F741 W747 A1070 | F741-L1068 WeakPolarHBondContact CE2-O 3.37Å; W747-L1068 HydrophobicContact CG-CD2 4.31Å; W747-L1068 HydrophobicContact CZ2-CB 3.78Å; L1068-A1070 PolarHBondContact O-N 2.96Å |
| 1069 | E | 77.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | trans | -78.3 | 111.8 | -177.8 | -65.3 | -167.5 | 133 | 0 | 0 | 111.1 | E1067 E1071 R1072 F1073 | E1067-E1069 WeakPolarHBondContact CG-O 3.5Å; E1067-E1069 PolarHBondContact OE1-N 3.29Å; E1069-E1071 VanDerWaalsContact C-N 3.27Å; E1069-E1071 PolarHBondContact O-N 3.26Å; E1069-R1072 HydrophobicContact CB-CB 4.01Å; E1069-R1072 HydrophobicContact CB-CG 3.74Å; E1069-R1072 WeakPolarHBondContact O-CB 3.32Å; E1069-R1072 PolarHBondContact O-N 3.4Å; E1069-R1072 WeakPolarHBondContact OE2-CG 3.34Å; E1069-R1072 IonicContact OE2-NE 2.7Å; E1069-F1073 PolarHBondContact O-N 2.93Å | ||
| 1070 | A | 75.9 | Confident | 81.9 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 20% | 0.198 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.6 | -42.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F741 L1068 R1072 F1073 E1074 | F741-A1070 HydrophobicContact CD2-CB 4.42Å; F741-A1070 HydrophobicContact CE1-CB 4.3Å; F741-A1070 HydrophobicContact CE2-CB 3.49Å; F741-A1070 VanDerWaalsContact CE2-CB 3.49Å; F741-A1070 HydrophobicContact CZ-CB 3.41Å; F741-A1070 VanDerWaalsContact CZ-CB 3.41Å; L1068-A1070 PolarHBondContact O-N 2.96Å; A1070-R1072 VanDerWaalsContact C-N 3.31Å; A1070-R1072 PolarHBondContact O-N 3.46Å; A1070-F1073 WeakPolarHBondContact O-CB 3.29Å; A1070-F1073 PolarHBondContact O-N 2.96Å; A1070-E1074 WeakPolarHBondContact O-CB 3.48Å; A1070-E1074 WeakPolarHBondContact O-CG 3.37Å; A1070-E1074 PolarHBondContact O-N 3.47Å |
| 1071 | E | 78.9 | Confident | 81.4 | Confident | 143 Ų | 143 | 45.5 Ų | 45.5 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.5 | -39.2 | -179.7 | -173.3 | 177 | 173.4 | 0 | 0 | 111.8 | E1069 Q1075 | E1069-E1071 VanDerWaalsContact C-N 3.27Å; E1069-E1071 PolarHBondContact O-N 3.26Å; E1071-Q1075 WeakPolarHBondContact O-CB 3.38Å; E1071-Q1075 PolarHBondContact O-N 3.46Å |
| 1072 | R | 80.7 | Confident | 80.8 | Confident | 36 Ų | 36 | 48 Ų | 48 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.3 | -42.8 | 177 | -64.2 | -60.7 | -177.4 | -174.5 | 0.3 | 111.8 | G1017 E1067 E1069 A1070 Q1075 T1076 | G1017-R1072 VanDerWaalsContact O-CZ 3.28Å; G1017-R1072 PolarHBondContact O-NH1 2.88Å; G1017-R1072 PolarHBondContact O-NH2 3.33Å; E1067-R1072 HydrophobicContact CG-CB 3.8Å; E1069-R1072 HydrophobicContact CB-CB 4.01Å; E1069-R1072 HydrophobicContact CB-CG 3.74Å; E1069-R1072 WeakPolarHBondContact O-CB 3.32Å; E1069-R1072 PolarHBondContact O-N 3.4Å; E1069-R1072 WeakPolarHBondContact OE2-CG 3.34Å; E1069-R1072 IonicContact OE2-NE 2.7Å; A1070-R1072 VanDerWaalsContact C-N 3.31Å; A1070-R1072 PolarHBondContact O-N 3.46Å; R1072-Q1075 PolarHBondContact O-N 2.77Å; R1072-T1076 PolarHBondContact O-N 3.49Å; R1072-T1076 PolarHBondContact O-OG1 3.42Å |
| 1073 | F | 80.8 | Confident | 80 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.9 | -53.1 | 173.6 | 175.3 | -92.2 | 0 | 0 | 0 | 111.2 | L739 H740 F741 M1047 E1067 E1069 A1070 Q1075 T1076 A1077 | L739-F1073 HydrophobicContact CB-CE2 3.6Å; L739-F1073 HydrophobicContact CB-CZ 3.92Å; H740-F1073 WeakPolarHBondContact O-CE2 3.31Å; F741-F1073 HydrophobicContact CB-CD1 3.71Å; F741-F1073 HydrophobicContact CB-CD2 3.74Å; F741-F1073 HydrophobicContact CB-CE1 3.73Å; F741-F1073 HydrophobicContact CB-CE2 3.74Å; F741-F1073 HydrophobicContact CB-CG 3.72Å; F741-F1073 HydrophobicContact CB-CZ 3.75Å; F741-F1073 HydrophobicContact CD2-CB 3.81Å; F741-F1073 HydrophobicContact CD2-CD1 4.23Å; F741-F1073 HydrophobicContact CD2-CD2 4.4Å; F741-F1073 AromaticContact CD2-CG 3.88Å; F741-F1073 HydrophobicContact CD2-CG 3.88Å; F741-F1073 HydrophobicContact CG-CD1 4.1Å; F741-F1073 HydrophobicContact CG-CG 4.11Å; F741-F1073 VanDerWaalsContact N-CE2 3.34Å; M1047-F1073 HydrophobicContact CE-CB 4.38Å; M1047-F1073 HydrophobicContact CE-CD2 3.72Å; M1047-F1073 HydrophobicContact CE-CE2 4.49Å; M1047-F1073 HydrophobicContact CE-CG 4.46Å; E1067-F1073 HydrophobicContact CB-CB 4.14Å; E1067-F1073 HydrophobicContact CB-CD2 4.46Å; E1067-F1073 HydrophobicContact CG-CB 4.21Å; E1069-F1073 PolarHBondContact O-N 2.93Å; A1070-F1073 WeakPolarHBondContact O-CB 3.29Å; A1070-F1073 PolarHBondContact O-N 2.96Å; F1073-Q1075 VanDerWaalsContact C-N 3.31Å; F1073-Q1075 PolarHBondContact O-N 3Å; F1073-T1076 PolarHBondContact O-N 3.29Å; F1073-A1077 WeakPolarHBondContact O-CB 3.39Å; F1073-A1077 PolarHBondContact O-N 3.05Å |
| 1074 | E | 80.8 | Confident | 79.1 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -38.4 | -179.9 | -73.4 | 177.2 | -161.6 | 0 | 0 | 112.1 | A1070 A1077 R1078 | A1070-E1074 WeakPolarHBondContact O-CB 3.48Å; A1070-E1074 WeakPolarHBondContact O-CG 3.37Å; A1070-E1074 PolarHBondContact O-N 3.47Å; E1074-A1077 PolarHBondContact O-N 3.4Å; E1074-R1078 WeakPolarHBondContact O-CB 3.44Å; E1074-R1078 VanDerWaalsContact O-CG 3.31Å; E1074-R1078 WeakPolarHBondContact O-CG 3.45Å; E1074-R1078 PolarHBondContact O-N 3.37Å; E1074-R1078 PolarHBondContact O-NE 3.03Å; E1074-R1078 IonicContact OE2-NH1 3.32Å; E1074-R1078 PolarHBondContact OE2-NH1 2.95Å |
| 1075 | Q | 82.6 | Confident | 78.2 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 175.2 | -175.5 | 175.8 | 27.5 | 0 | 0 | 111.4 | E1071 R1072 F1073 A1077 R1078 D1079 | E1071-Q1075 WeakPolarHBondContact O-CB 3.38Å; E1071-Q1075 PolarHBondContact O-N 3.46Å; R1072-Q1075 PolarHBondContact O-N 2.77Å; F1073-Q1075 VanDerWaalsContact C-N 3.31Å; F1073-Q1075 PolarHBondContact O-N 3Å; Q1075-A1077 VanDerWaalsContact C-N 3.34Å; Q1075-A1077 PolarHBondContact O-N 3.2Å; Q1075-R1078 PolarHBondContact O-N 3.41Å; Q1075-D1079 VanDerWaalsContact O-CG 3.22Å; Q1075-D1079 PolarHBondContact O-N 2.96Å |
| 1076 | T | 81.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | L739 M1047 S1049 R1072 F1073 R1078 D1079 V1080 | L739-T1076 HydrophobicContact CD1-CG2 4.33Å; L739-T1076 HydrophobicContact CD2-CG2 4.4Å; M1047-T1076 HydrophobicContact CE-CG2 4.24Å; M1047-T1076 HydrophobicContact SD-CG2 3.97Å; S1049-T1076 PolarHBondContact O-OG1 3.44Å; R1072-T1076 PolarHBondContact O-N 3.49Å; R1072-T1076 PolarHBondContact O-OG1 3.42Å; F1073-T1076 PolarHBondContact O-N 3.29Å; T1076-R1078 PolarHBondContact O-N 3.34Å; T1076-D1079 PolarHBondContact O-N 3.29Å; T1076-V1080 HydrophobicContact CG2-CG2 4.2Å; T1076-V1080 WeakPolarHBondContact O-CB 3.45Å; T1076-V1080 VanDerWaalsContact O-CG2 3.29Å; T1076-V1080 WeakPolarHBondContact O-CG2 3.39Å; T1076-V1080 PolarHBondContact O-N 3.37Å |
| 1077 | A | 78.7 | Confident | 75.8 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L739 F1073 E1074 Q1075 V1080 Q1081 | L739-A1077 HydrophobicContact CD1-CB 3.81Å; F1073-A1077 WeakPolarHBondContact O-CB 3.39Å; F1073-A1077 PolarHBondContact O-N 3.05Å; E1074-A1077 PolarHBondContact O-N 3.4Å; Q1075-A1077 VanDerWaalsContact C-N 3.34Å; Q1075-A1077 PolarHBondContact O-N 3.2Å; A1077-V1080 PolarHBondContact O-N 3.09Å; A1077-Q1081 WeakPolarHBondContact O-CB 3.46Å; A1077-Q1081 WeakPolarHBondContact O-CG 3.4Å; A1077-Q1081 PolarHBondContact O-N 3.11Å |
| 1078 | R | 83 | Confident | 73.9 | Confident | 121 Ų | 121 | 80.3 Ų | 80.3 | 46% | 0.457 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174 | -74.9 | -176.1 | -67.5 | -106.6 | -0.2 | 111.8 | E1074 Q1075 T1076 V1080 Q1081 N1082 | E1074-R1078 WeakPolarHBondContact O-CB 3.44Å; E1074-R1078 VanDerWaalsContact O-CG 3.31Å; E1074-R1078 WeakPolarHBondContact O-CG 3.45Å; E1074-R1078 PolarHBondContact O-N 3.37Å; E1074-R1078 PolarHBondContact O-NE 3.03Å; E1074-R1078 IonicContact OE2-NH1 3.32Å; E1074-R1078 PolarHBondContact OE2-NH1 2.95Å; Q1075-R1078 PolarHBondContact O-N 3.41Å; T1076-R1078 PolarHBondContact O-N 3.34Å; R1078-V1080 VanDerWaalsContact C-N 3.34Å; R1078-V1080 PolarHBondContact O-N 2.88Å; R1078-Q1081 PolarHBondContact O-N 3.32Å; R1078-N1082 WeakPolarHBondContact O-CB 3.44Å; R1078-N1082 PolarHBondContact O-N 2.95Å; R1078-N1082 PolarHBondContact O-ND2 3.44Å |
| 1079 | D | 81.5 | Confident | 73.8 | Confident | 54 Ų | 54 | 82.8 Ų | 82.8 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | -179.7 | -69.1 | -16.7 | 0 | 0 | 0 | 112.2 | K1054 Q1075 T1076 S1083 | K1054-D1079 VanDerWaalsContact CE-CB 3.49Å; K1054-D1079 WeakPolarHBondContact CE-OD2 3.38Å; K1054-D1079 IonicContact NZ-OD2 2.69Å; K1054-D1079 PolarHBondContact NZ-OD2 2.99Å; Q1075-D1079 VanDerWaalsContact O-CG 3.22Å; Q1075-D1079 PolarHBondContact O-N 2.96Å; T1076-D1079 PolarHBondContact O-N 3.29Å; D1079-S1083 WeakPolarHBondContact O-CB 3.24Å; D1079-S1083 PolarHBondContact O-N 2.76Å; D1079-S1083 PolarHBondContact O-OG 2.99Å |
| 1080 | V | 76.4 | Confident | 73.6 | Confident | 6 Ų | 6 | 83.4 Ų | 83.4 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -48.8 | 176.1 | 165.1 | 0 | 0 | 0 | 0 | 110.7 | A737 L739 V1053 M1057 T1076 A1077 R1078 N1082 S1083 I1084 | A737-V1080 HydrophobicContact CB-CG1 3.95Å; L739-V1080 HydrophobicContact CD1-CG2 4.49Å; V1053-V1080 HydrophobicContact CG1-CG2 4.14Å; M1057-V1080 HydrophobicContact CE-CG1 3.64Å; M1057-V1080 HydrophobicContact SD-CB 4.27Å; M1057-V1080 HydrophobicContact SD-CG1 3.45Å; M1057-V1080 WeakPolarHBondContact SD-CG1 3.34Å; M1057-V1080 HydrophobicContact SD-CG2 3.89Å; T1076-V1080 HydrophobicContact CG2-CG2 4.2Å; T1076-V1080 WeakPolarHBondContact O-CB 3.45Å; T1076-V1080 VanDerWaalsContact O-CG2 3.29Å; T1076-V1080 WeakPolarHBondContact O-CG2 3.39Å; T1076-V1080 PolarHBondContact O-N 3.37Å; A1077-V1080 PolarHBondContact O-N 3.09Å; R1078-V1080 VanDerWaalsContact C-N 3.34Å; R1078-V1080 PolarHBondContact O-N 2.88Å; V1080-N1082 VanDerWaalsContact C-N 3.31Å; V1080-N1082 PolarHBondContact O-N 2.92Å; V1080-S1083 WeakPolarHBondContact O-CB 3.5Å; V1080-S1083 PolarHBondContact O-N 3.06Å; V1080-I1084 HydrophobicContact CG1-CD1 3.97Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.35Å; V1080-I1084 PolarHBondContact O-N 3.15Å |
| 1081 | Q | 75.3 | Confident | 73.4 | Confident | 110 Ų | 110 | 86.7 Ų | 86.7 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 176.3 | -76.6 | 177.6 | -5.9 | 0 | 0 | 112.1 | A1077 R1078 S1083 I1084 R1085 | A1077-Q1081 WeakPolarHBondContact O-CB 3.46Å; A1077-Q1081 WeakPolarHBondContact O-CG 3.4Å; A1077-Q1081 PolarHBondContact O-N 3.11Å; R1078-Q1081 PolarHBondContact O-N 3.32Å; Q1081-S1083 VanDerWaalsContact C-N 3.28Å; Q1081-S1083 PolarHBondContact O-N 3.27Å; Q1081-I1084 PolarHBondContact O-N 3.32Å; Q1081-R1085 WeakPolarHBondContact O-CG 3.36Å; Q1081-R1085 PolarHBondContact O-N 3.19Å |
| 1082 | N | 76.5 | Confident | 73.1 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 175.7 | -72.6 | -23.6 | 0 | 0 | 0 | 112.6 | R1078 V1080 K1086 | R1078-N1082 WeakPolarHBondContact O-CB 3.44Å; R1078-N1082 PolarHBondContact O-N 2.95Å; R1078-N1082 PolarHBondContact O-ND2 3.44Å; V1080-N1082 VanDerWaalsContact C-N 3.31Å; V1080-N1082 PolarHBondContact O-N 2.92Å; N1082-K1086 WeakPolarHBondContact O-CG 3.46Å; N1082-K1086 PolarHBondContact O-N 3.03Å |
| 1083 | S | 69.2 | Low | 72.6 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.5 | -34.8 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | D1079 V1080 Q1081 | D1079-S1083 WeakPolarHBondContact O-CB 3.24Å; D1079-S1083 PolarHBondContact O-N 2.76Å; D1079-S1083 PolarHBondContact O-OG 2.99Å; V1080-S1083 WeakPolarHBondContact O-CB 3.5Å; V1080-S1083 PolarHBondContact O-N 3.06Å; Q1081-S1083 VanDerWaalsContact C-N 3.28Å; Q1081-S1083 PolarHBondContact O-N 3.27Å |
| 1084 | I | 67.9 | Low | 72.1 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.2 | -49.3 | 173.1 | -63.9 | 166.2 | 0 | 0 | 0 | 109.7 | M1057 V1080 Q1081 K1086 R1087 E1088 | M1057-I1084 HydrophobicContact CE-CD1 3.86Å; M1057-I1084 HydrophobicContact CE-CG1 3.73Å; V1080-I1084 HydrophobicContact CG1-CD1 3.97Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.35Å; V1080-I1084 PolarHBondContact O-N 3.15Å; Q1081-I1084 PolarHBondContact O-N 3.32Å; I1084-K1086 PolarHBondContact O-N 3.32Å; I1084-K1086 VanDerWaalsContact O-N 3.09Å; I1084-R1087 PolarHBondContact O-N 2.92Å; I1084-E1088 HydrophobicContact CG2-CG 4.48Å; I1084-E1088 PolarHBondContact O-N 2.82Å |
| 1085 | R | 67.5 | Low | 71.5 | Confident | 175 Ų | 175 | 89.8 Ų | 89.8 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.1 | 177.6 | -75.3 | -179.2 | 179 | 177.2 | -0.2 | 115.5 | Q1081 | Q1081-R1085 WeakPolarHBondContact O-CG 3.36Å; Q1081-R1085 PolarHBondContact O-N 3.19Å |
| 1086 | K | 62.3 | Low | 70.6 | Confident | 182 Ų | 182 | 91.7 Ų | 91.7 | 79% | 0.791 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -15.2 | 175 | -80.3 | -179.1 | 179 | -176.8 | 0 | 113 | N1082 I1084 | N1082-K1086 WeakPolarHBondContact O-CG 3.46Å; N1082-K1086 PolarHBondContact O-N 3.03Å; I1084-K1086 PolarHBondContact O-N 3.32Å; I1084-K1086 VanDerWaalsContact O-N 3.09Å |
| 1087 | R | 55.2 | Low | 69.7 | Low | 157 Ų | 157 | 99.3 Ų | 99.3 | 59% | 0.592 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -35.2 | 179.5 | -79.8 | -178.2 | 166.9 | -173.1 | -6.6 | 112.1 | M1057 A1058 I1084 | M1057-R1087 PolarHBondContact O-NH1 3.08Å; M1057-R1087 PolarHBondContact O-NH2 3.34Å; A1058-R1087 VanDerWaalsContact CA-NH2 3.32Å; A1058-R1087 PolarHBondContact O-NH2 3.38Å; I1084-R1087 PolarHBondContact O-N 2.92Å |
| 1088 | E | 43.1 | Very low | 68.9 | Low | 180 Ų | 180 | 106.5 Ų | 106.5 | 84% | 0.841 | 48% | 0.48 | S | S | * | . | trans | -65.3 | 0 | 158.4 | -64.5 | 175 | 171.4 | 0 | 0 | 109.8 | I1084 | I1084-E1088 HydrophobicContact CG2-CG 4.48Å; I1084-E1088 PolarHBondContact O-N 2.82Å |
Retrieved 1,088 of 1,088 residues in 761.6 ms
(Link to these results)