| 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 | 80.3 | Confident | 88.7 | Confident | 190 Ų | 190 | 132 Ų | 132 | 94% | 0.936 | 61% | 0.605 | S | S | * | * | 0 | -87.1 | 0 | -149 | -178.2 | -64.1 | 0 | 0 | 114.8 | E4 A5 | M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.1Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.96Å; M1-A5 WeakPolarHBondContact O-CB 3.26Å; M1-A5 PolarHBondContact O-N 3.35Å | |||
| 2 | W | 85.2 | Confident | 89 | Confident | 170 Ų | 170 | 128.8 Ų | 128.8 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -46.7 | -169.9 | 179.5 | 87.8 | 0 | 0 | 0 | 114.9 | E4 A5 R6 | W2-E4 PolarHBondContact O-N 3.03Å; W2-A5 PolarHBondContact O-N 3.31Å; W2-R6 PolarHBondContact O-N 3.05Å |
| 3 | Q | 89.4 | Confident | 89.2 | Confident | 160 Ų | 160 | 128 Ų | 128 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.5 | -37.5 | 174.6 | -67 | 177.2 | -13.9 | 0 | 0 | 112.1 | R6 K7 | Q3-R6 PolarHBondContact O-N 3.07Å; Q3-K7 PolarHBondContact O-N 2.85Å |
| 4 | E | 87.8 | Confident | 89.3 | Confident | 119 Ų | 119 | 124.9 Ų | 124.9 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.5 | -41.7 | 177.6 | 172.9 | -170.2 | -165.8 | 0 | 0 | 111.7 | M1 W2 R6 K7 Q8 | M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.1Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.96Å; W2-E4 PolarHBondContact O-N 3.03Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 2.91Å; E4-K7 WeakPolarHBondContact O-CA 3.29Å; E4-K7 WeakPolarHBondContact O-CB 3.38Å; E4-K7 PolarHBondContact O-N 3.5Å; E4-K7 VanDerWaalsContact O-N 3.09Å; E4-Q8 WeakPolarHBondContact O-CG 3.21Å; E4-Q8 PolarHBondContact O-N 2.8Å |
| 5 | A | 89.1 | Confident | 89.4 | Confident | 57 Ų | 57 | 120.9 Ų | 120.9 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.1 | -43.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 W2 K7 Q8 E9 | M1-A5 WeakPolarHBondContact O-CB 3.26Å; M1-A5 PolarHBondContact O-N 3.35Å; W2-A5 PolarHBondContact O-N 3.31Å; A5-K7 VanDerWaalsContact C-N 3.32Å; A5-K7 PolarHBondContact O-N 3.03Å; A5-Q8 PolarHBondContact O-N 2.9Å; A5-E9 WeakPolarHBondContact O-CB 3.25Å; A5-E9 PolarHBondContact O-N 3.28Å |
| 6 | R | 87.9 | Confident | 89.3 | Confident | 132 Ų | 132 | 121.3 Ų | 121.3 | 50% | 0.498 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -34.2 | 171.7 | -80.2 | -177.5 | 161.7 | -165.7 | -3.1 | 112.9 | W2 Q3 E4 K10 | W2-R6 PolarHBondContact O-N 3.05Å; Q3-R6 PolarHBondContact O-N 3.07Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 2.91Å; R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 WeakPolarHBondContact O-CG 3.34Å; R6-K10 PolarHBondContact O-N 2.79Å |
| 7 | K | 91.1 | Very high | 89.3 | Confident | 165 Ų | 165 | 119.4 Ų | 119.4 | 72% | 0.717 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66 | -43.9 | 174.2 | -169.3 | 177.6 | -178.8 | 179 | 0 | 111.2 | Q3 E4 A5 H11 | Q3-K7 PolarHBondContact O-N 2.85Å; E4-K7 WeakPolarHBondContact O-CA 3.29Å; E4-K7 WeakPolarHBondContact O-CB 3.38Å; E4-K7 PolarHBondContact O-N 3.5Å; E4-K7 VanDerWaalsContact O-N 3.09Å; A5-K7 VanDerWaalsContact C-N 3.32Å; A5-K7 PolarHBondContact O-N 3.03Å; K7-H11 WeakPolarHBondContact O-CB 3.3Å; K7-H11 PolarHBondContact O-N 3.19Å |
| 8 | Q | 92.1 | Very high | 89.4 | Confident | 109 Ų | 109 | 116.3 Ų | 116.3 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -43.2 | 174.2 | -64.1 | -64.6 | -7.5 | 0 | 0 | 111.8 | E4 A5 K10 H11 I12 | E4-Q8 WeakPolarHBondContact O-CG 3.21Å; E4-Q8 PolarHBondContact O-N 2.8Å; A5-Q8 PolarHBondContact O-N 2.9Å; Q8-K10 PolarHBondContact O-N 3.42Å; Q8-H11 PolarHBondContact O-N 2.9Å; Q8-I12 WeakPolarHBondContact O-CG1 3.48Å; Q8-I12 PolarHBondContact O-N 2.9Å |
| 9 | E | 90.2 | Very high | 89.4 | Confident | 91 Ų | 91 | 118.2 Ų | 118.2 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.1 | -45.2 | 177.3 | -166.3 | -158 | 150.6 | 0 | 0 | 112 | A5 I12 K13 | A5-E9 WeakPolarHBondContact O-CB 3.25Å; A5-E9 PolarHBondContact O-N 3.28Å; E9-I12 PolarHBondContact O-N 2.84Å; E9-K13 HydrophobicContact CG-CD 4.44Å; E9-K13 WeakPolarHBondContact O-CB 3.37Å; E9-K13 WeakPolarHBondContact O-CG 3.25Å; E9-K13 PolarHBondContact O-N 2.81Å; E9-K13 VanDerWaalsContact OE1-CE 3.29Å; E9-K13 WeakPolarHBondContact OE1-CE 3.43Å; E9-K13 IonicContact OE1-NZ 3.38Å; E9-K13 PolarHBondContact OE1-NZ 3.19Å |
| 10 | K | 91.4 | Very high | 89.4 | Confident | 158 Ų | 158 | 118.7 Ų | 118.7 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.8 | -46.4 | 172.8 | -78 | -174.8 | 176.6 | -170.7 | 0 | 111.4 | R6 Q8 I12 K13 T14 | R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 WeakPolarHBondContact O-CG 3.34Å; R6-K10 PolarHBondContact O-N 2.79Å; Q8-K10 PolarHBondContact O-N 3.42Å; K10-I12 PolarHBondContact O-N 3.02Å; K10-K13 PolarHBondContact O-N 3.3Å; K10-T14 PolarHBondContact O-N 2.84Å; K10-T14 PolarHBondContact O-OG1 3.5Å |
| 11 | H | 91.5 | Very high | 89.3 | Confident | 101 Ų | 101 | 120.8 Ų | 120.8 | 47% | 0.468 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.4 | -43.7 | 179 | -177.7 | 59.9 | 0 | 0 | 0 | 112.6 | K7 Q8 K13 T14 L15 | K7-H11 WeakPolarHBondContact O-CB 3.3Å; K7-H11 PolarHBondContact O-N 3.19Å; Q8-H11 PolarHBondContact O-N 2.9Å; H11-K13 PolarHBondContact O-N 2.86Å; H11-T14 PolarHBondContact O-N 3.12Å; H11-L15 WeakPolarHBondContact O-CG 3.41Å; H11-L15 PolarHBondContact O-N 2.85Å |
| 12 | I | 91.5 | Very high | 89.8 | Confident | 93 Ų | 93 | 117 Ų | 117 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.1 | -67.5 | 164.7 | 0 | 0 | 0 | 110.9 | Q8 E9 K10 L15 M16 | Q8-I12 WeakPolarHBondContact O-CG1 3.48Å; Q8-I12 PolarHBondContact O-N 2.9Å; E9-I12 PolarHBondContact O-N 2.84Å; K10-I12 PolarHBondContact O-N 3.02Å; I12-L15 PolarHBondContact O-N 2.98Å; I12-M16 HydrophobicContact CG2-SD 4.27Å; I12-M16 WeakPolarHBondContact O-CG 3.42Å; I12-M16 PolarHBondContact O-N 2.97Å |
| 13 | K | 91.6 | Very high | 89.7 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.8 | -77.8 | 171.7 | 168.7 | 175.1 | 0 | 112 | E9 K10 H11 M16 V17 | E9-K13 HydrophobicContact CG-CD 4.44Å; E9-K13 WeakPolarHBondContact O-CB 3.37Å; E9-K13 WeakPolarHBondContact O-CG 3.25Å; E9-K13 PolarHBondContact O-N 2.81Å; E9-K13 VanDerWaalsContact OE1-CE 3.29Å; E9-K13 WeakPolarHBondContact OE1-CE 3.43Å; E9-K13 IonicContact OE1-NZ 3.38Å; E9-K13 PolarHBondContact OE1-NZ 3.19Å; K10-K13 PolarHBondContact O-N 3.3Å; H11-K13 PolarHBondContact O-N 2.86Å; K13-M16 PolarHBondContact O-N 2.82Å; K13-V17 WeakPolarHBondContact O-CG2 3.07Å; K13-V17 PolarHBondContact O-N 2.71Å; K13-V17 VanDerWaalsContact O-N 3.12Å |
| 14 | T | 91.1 | Very high | 89.3 | Confident | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 174 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | K10 H11 M16 V17 D18 | K10-T14 PolarHBondContact O-N 2.84Å; K10-T14 PolarHBondContact O-OG1 3.5Å; H11-T14 PolarHBondContact O-N 3.12Å; T14-M16 VanDerWaalsContact C-N 3.31Å; T14-M16 PolarHBondContact O-N 3.44Å; T14-V17 PolarHBondContact O-N 2.63Å; T14-V17 VanDerWaalsContact O-N 3.17Å; T14-D18 PolarHBondContact O-N 3.03Å |
| 15 | L | 90.9 | Very high | 89.3 | Confident | 66 Ų | 66 | 109.2 Ų | 109.2 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 176.7 | -75.5 | 171.9 | 0 | 0 | 0 | 112.2 | H11 I12 V17 D18 Y19 | H11-L15 WeakPolarHBondContact O-CG 3.41Å; H11-L15 PolarHBondContact O-N 2.85Å; I12-L15 PolarHBondContact O-N 2.98Å; L15-V17 PolarHBondContact O-N 3.13Å; L15-D18 PolarHBondContact O-N 3.39Å; L15-Y19 HydrophobicContact CB-CD2 4.4Å; L15-Y19 HydrophobicContact CB-CE2 4.35Å; L15-Y19 HydrophobicContact CD2-CE2 4.48Å; L15-Y19 WeakPolarHBondContact O-CB 3.32Å; L15-Y19 WeakPolarHBondContact O-CD2 3.28Å; L15-Y19 PolarHBondContact O-N 3.22Å |
| 16 | M | 88.6 | Confident | 89.1 | Confident | 127 Ų | 127 | 113.5 Ų | 113.5 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -40.5 | 177.2 | -75.2 | -179.1 | 66.9 | 0 | 0 | 112.8 | I12 K13 T14 K20 | I12-M16 HydrophobicContact CG2-SD 4.27Å; I12-M16 WeakPolarHBondContact O-CG 3.42Å; I12-M16 PolarHBondContact O-N 2.97Å; K13-M16 PolarHBondContact O-N 2.82Å; T14-M16 VanDerWaalsContact C-N 3.31Å; T14-M16 PolarHBondContact O-N 3.44Å; M16-K20 WeakPolarHBondContact O-CB 3.47Å; M16-K20 PolarHBondContact O-N 2.84Å |
| 17 | V | 89.1 | Confident | 88.7 | Confident | 89 Ų | 89 | 114.2 Ų | 114.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | K13 T14 L15 K20 R21 | K13-V17 WeakPolarHBondContact O-CG2 3.07Å; K13-V17 PolarHBondContact O-N 2.71Å; K13-V17 VanDerWaalsContact O-N 3.12Å; T14-V17 PolarHBondContact O-N 2.63Å; T14-V17 VanDerWaalsContact O-N 3.17Å; L15-V17 PolarHBondContact O-N 3.13Å; V17-K20 WeakPolarHBondContact O-CB 3.37Å; V17-K20 PolarHBondContact O-N 2.9Å; V17-R21 WeakPolarHBondContact O-CB 3.31Å; V17-R21 PolarHBondContact O-N 2.84Å |
| 18 | D | 90.8 | Very high | 87.9 | Confident | 63 Ų | 63 | 109 Ų | 109 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 176.6 | -84.9 | -20.4 | 0 | 0 | 0 | 112.8 | T14 L15 K20 R22 | T14-D18 PolarHBondContact O-N 3.03Å; L15-D18 PolarHBondContact O-N 3.39Å; D18-K20 VanDerWaalsContact C-N 3.33Å; D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 PolarHBondContact O-N 2.82Å; D18-R22 PolarHBondContact O-NH1 3.36Å; D18-R22 VanDerWaalsContact O-NH1 3.15Å |
| 19 | Y | 89.4 | Confident | 87.5 | Confident | 152 Ų | 152 | 110.6 Ų | 110.6 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 173.6 | -80.6 | -61.5 | 0 | 0 | 0 | 111.7 | L15 A23 | L15-Y19 HydrophobicContact CB-CD2 4.4Å; L15-Y19 HydrophobicContact CB-CE2 4.35Å; L15-Y19 HydrophobicContact CD2-CE2 4.48Å; L15-Y19 WeakPolarHBondContact O-CB 3.32Å; L15-Y19 WeakPolarHBondContact O-CD2 3.28Å; L15-Y19 PolarHBondContact O-N 3.22Å; Y19-A23 VanDerWaalsContact O-CB 3.28Å; Y19-A23 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 PolarHBondContact O-N 3.23Å |
| 20 | K | 89.1 | Confident | 87.1 | Confident | 128 Ų | 128 | 112.3 Ų | 112.3 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -57.2 | 173.1 | -177.2 | -168.8 | 159.8 | -170.8 | 0 | 111 | M16 V17 D18 R22 A23 E24 | M16-K20 WeakPolarHBondContact O-CB 3.47Å; M16-K20 PolarHBondContact O-N 2.84Å; V17-K20 WeakPolarHBondContact O-CB 3.37Å; V17-K20 PolarHBondContact O-N 2.9Å; D18-K20 VanDerWaalsContact C-N 3.33Å; K20-R22 PolarHBondContact O-N 2.98Å; K20-A23 PolarHBondContact O-N 2.68Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 WeakPolarHBondContact CG-OE1 3.36Å; K20-E24 IonicContact NZ-OE1 2.71Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.2Å |
| 21 | R | 88 | Confident | 86.4 | Confident | 164 Ų | 164 | 107.1 Ų | 107.1 | 62% | 0.619 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.2 | -21.9 | 179.7 | -178.3 | 179.3 | -96.1 | -175.2 | -8.2 | 113.4 | V17 R25 | V17-R21 WeakPolarHBondContact O-CB 3.31Å; V17-R21 PolarHBondContact O-N 2.84Å; R21-R25 WeakPolarHBondContact O-CG 3.12Å; R21-R25 PolarHBondContact O-N 3.2Å; R21-R25 PolarHBondContact O-NE 3.2Å |
| 22 | R | 89.3 | Confident | 85.5 | Confident | 111 Ų | 111 | 110.7 Ų | 110.7 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83.9 | -35.4 | 172.4 | -173.5 | -177.3 | -69.3 | 99.3 | -4.9 | 112.2 | D18 K20 R26 | D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 PolarHBondContact O-N 2.82Å; D18-R22 PolarHBondContact O-NH1 3.36Å; D18-R22 VanDerWaalsContact O-NH1 3.15Å; K20-R22 PolarHBondContact O-N 2.98Å; R22-R26 WeakPolarHBondContact O-CG 3.1Å; R22-R26 PolarHBondContact O-N 3.08Å |
| 23 | A | 83.2 | Confident | 84.7 | Confident | 60 Ų | 60 | 111.4 Ų | 111.4 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y19 K20 R26 R27 | Y19-A23 VanDerWaalsContact O-CB 3.28Å; Y19-A23 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 PolarHBondContact O-N 3.23Å; K20-A23 PolarHBondContact O-N 2.68Å; A23-R26 PolarHBondContact O-N 3.24Å; A23-R27 PolarHBondContact O-N 3.43Å |
| 24 | E | 81.5 | Confident | 83.9 | Confident | 84 Ų | 84 | 114.5 Ų | 114.5 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -57.8 | 173.6 | -74.1 | 160.4 | 166.5 | 0 | 0 | 110 | K20 R26 R27 D28 | K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 WeakPolarHBondContact CG-OE1 3.36Å; K20-E24 IonicContact NZ-OE1 2.71Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.2Å; E24-R26 PolarHBondContact O-N 2.97Å; E24-R27 CarbonylContact O-C 3.57Å; E24-R27 WeakPolarHBondContact O-CA 3.04Å; E24-R27 VanDerWaalsContact O-CB 3.26Å; E24-R27 WeakPolarHBondContact O-CB 3.3Å; E24-R27 PolarHBondContact O-N 2.77Å; E24-D28 PolarHBondContact O-N 2.84Å; E24-D28 VanDerWaalsContact O-OD2 3.13Å |
| 25 | R | 87.9 | Confident | 82.8 | Confident | 140 Ų | 140 | 112.6 Ų | 112.6 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.7 | -30.4 | 175.5 | -72.5 | 177.7 | -66 | 138.7 | -6.2 | 115.2 | R21 D28 Y29 | R21-R25 WeakPolarHBondContact O-CG 3.12Å; R21-R25 PolarHBondContact O-N 3.2Å; R21-R25 PolarHBondContact O-NE 3.2Å; R25-D28 WeakPolarHBondContact CA-OD2 3.3Å; R25-D28 PolarHBondContact N-OD2 3.27Å; R25-Y29 WeakPolarHBondContact O-CB 3.43Å; R25-Y29 PolarHBondContact O-N 3.4Å; R25-Y29 VanDerWaalsContact O-N 3.15Å |
| 26 | R | 85.1 | Confident | 81.5 | Confident | 148 Ų | 148 | 113.4 Ų | 113.4 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.9 | -37.5 | 172.5 | -75.4 | -170 | 76.7 | 136.2 | -1.2 | 112.1 | R22 A23 E24 Y30 | R22-R26 WeakPolarHBondContact O-CG 3.1Å; R22-R26 PolarHBondContact O-N 3.08Å; A23-R26 PolarHBondContact O-N 3.24Å; E24-R26 PolarHBondContact O-N 2.97Å; R26-Y30 HydrophobicContact CB-CE2 4.41Å; R26-Y30 PolarHBondContact NH2-OH 2.94Å; R26-Y30 WeakPolarHBondContact O-CD2 3.27Å; R26-Y30 PolarHBondContact O-N 3.25Å |
| 27 | R | 78.8 | Confident | 80.5 | Confident | 147 Ų | 147 | 112.2 Ų | 112.2 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.4 | -50.9 | 171 | -179 | -173.7 | 174.4 | -155.7 | -11.9 | 110 | A23 E24 Y29 Y30 E31 | A23-R27 PolarHBondContact O-N 3.43Å; E24-R27 CarbonylContact O-C 3.57Å; E24-R27 WeakPolarHBondContact O-CA 3.04Å; E24-R27 VanDerWaalsContact O-CB 3.26Å; E24-R27 WeakPolarHBondContact O-CB 3.3Å; E24-R27 PolarHBondContact O-N 2.77Å; R27-Y29 VanDerWaalsContact C-N 3.31Å; R27-Y29 PolarHBondContact O-N 2.66Å; R27-Y30 PolarHBondContact O-N 3Å; R27-Y30 VanDerWaalsContact O-N 3.15Å; R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 IonicContact CZ-OE1 3.78Å; R27-E31 IonicContact NE-OE1 3.04Å; R27-E31 PolarHBondContact NE-OE1 3.03Å; R27-E31 IonicContact NH2-OE1 2.65Å; R27-E31 PolarHBondContact NH2-OE1 3.26Å; R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.22Å |
| 28 | D | 75.3 | Confident | 79.3 | Confident | 56 Ų | 56 | 113.8 Ų | 113.8 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | -177.7 | -46.6 | -32.3 | 0 | 0 | 0 | 111.5 | E24 R25 E31 R32 | E24-D28 PolarHBondContact O-N 2.84Å; E24-D28 VanDerWaalsContact O-OD2 3.13Å; R25-D28 WeakPolarHBondContact CA-OD2 3.3Å; R25-D28 PolarHBondContact N-OD2 3.27Å; D28-E31 PolarHBondContact O-N 3.31Å; D28-R32 VanDerWaalsContact O-CG 3.28Å; D28-R32 WeakPolarHBondContact O-CG 3.41Å; D28-R32 PolarHBondContact O-N 3.25Å; D28-R32 VanDerWaalsContact O-N 3.13Å |
| 29 | Y | 83 | Confident | 78.1 | Confident | 142 Ų | 142 | 116.3 Ų | 116.3 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -48.4 | 174 | 178 | -95.9 | 0 | 0 | 0 | 112.6 | R25 R27 R32 I33 | R25-Y29 WeakPolarHBondContact O-CB 3.43Å; R25-Y29 PolarHBondContact O-N 3.4Å; R25-Y29 VanDerWaalsContact O-N 3.15Å; R27-Y29 VanDerWaalsContact C-N 3.31Å; R27-Y29 PolarHBondContact O-N 2.66Å; Y29-R32 PolarHBondContact O-N 2.92Å; Y29-I33 HydrophobicContact CD1-CD1 4.06Å; Y29-I33 HydrophobicContact CD2-CD1 4.22Å; Y29-I33 HydrophobicContact CE1-CD1 3.52Å; Y29-I33 HydrophobicContact CE2-CD1 3.7Å; Y29-I33 HydrophobicContact CG-CD1 4.38Å; Y29-I33 PolarHBondContact O-N 3.25Å |
| 30 | Y | 81.1 | Confident | 76.9 | Confident | 127 Ų | 127 | 115.9 Ų | 115.9 | 50% | 0.498 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.1 | -29.9 | 178.8 | -70.8 | -54.4 | 0 | 0 | 0 | 113.2 | R26 R27 I33 K34 | R26-Y30 HydrophobicContact CB-CE2 4.41Å; R26-Y30 PolarHBondContact NH2-OH 2.94Å; R26-Y30 WeakPolarHBondContact O-CD2 3.27Å; R26-Y30 PolarHBondContact O-N 3.25Å; R27-Y30 PolarHBondContact O-N 3Å; R27-Y30 VanDerWaalsContact O-N 3.15Å; Y30-I33 PolarHBondContact O-N 3.49Å; Y30-K34 WeakPolarHBondContact O-CB 3.28Å; Y30-K34 PolarHBondContact O-N 2.94Å |
| 31 | E | 77 | Confident | 75.9 | Confident | 49 Ų | 49 | 115.2 Ų | 115.2 | 23% | 0.229 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 174 | -76.6 | -179.4 | 174.4 | 0 | 0 | 111.6 | R27 D28 I33 K34 Q35 R147 | R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 IonicContact CZ-OE1 3.78Å; R27-E31 IonicContact NE-OE1 3.04Å; R27-E31 PolarHBondContact NE-OE1 3.03Å; R27-E31 IonicContact NH2-OE1 2.65Å; R27-E31 PolarHBondContact NH2-OE1 3.26Å; R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.22Å; D28-E31 PolarHBondContact O-N 3.31Å; E31-I33 VanDerWaalsContact C-N 3.3Å; E31-I33 PolarHBondContact O-N 3.19Å; E31-K34 PolarHBondContact O-N 2.84Å; E31-Q35 PolarHBondContact O-N 2.91Å; E31-R147 IonicContact OE2-CZ 3.37Å; E31-R147 IonicContact OE2-NH1 3.51Å; E31-R147 PolarHBondContact OE2-NH1 2.67Å; E31-R147 IonicContact OE2-NH2 2.68Å; E31-R147 PolarHBondContact OE2-NH2 3.2Å |
| 32 | R | 74 | Confident | 75 | Confident | 175 Ų | 175 | 112.6 Ų | 112.6 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -34.9 | 175.8 | -69.7 | 169.1 | -172.3 | -167.6 | 0.2 | 113.3 | D28 Y29 | D28-R32 VanDerWaalsContact O-CG 3.28Å; D28-R32 WeakPolarHBondContact O-CG 3.41Å; D28-R32 PolarHBondContact O-N 3.25Å; D28-R32 VanDerWaalsContact O-N 3.13Å; Y29-R32 PolarHBondContact O-N 2.92Å |
| 33 | I | 73.8 | Confident | 74.2 | Confident | 108 Ų | 108 | 114.3 Ų | 114.3 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -86.1 | -18.2 | 178.4 | -67.3 | 173.3 | 0 | 0 | 0 | 112.3 | Y29 Y30 E31 | Y29-I33 HydrophobicContact CD1-CD1 4.06Å; Y29-I33 HydrophobicContact CD2-CD1 4.22Å; Y29-I33 HydrophobicContact CE1-CD1 3.52Å; Y29-I33 HydrophobicContact CE2-CD1 3.7Å; Y29-I33 HydrophobicContact CG-CD1 4.38Å; Y29-I33 PolarHBondContact O-N 3.25Å; Y30-I33 PolarHBondContact O-N 3.49Å; E31-I33 VanDerWaalsContact C-N 3.3Å; E31-I33 PolarHBondContact O-N 3.19Å |
| 34 | K | 75.2 | Confident | 74.1 | Confident | 184 Ų | 184 | 119.3 Ų | 119.3 | 80% | 0.8 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -86.6 | -18.7 | 174.4 | -169 | -167.8 | 171 | -145.4 | 0 | 112.5 | Y30 E31 D36 | Y30-K34 WeakPolarHBondContact O-CB 3.28Å; Y30-K34 PolarHBondContact O-N 2.94Å; E31-K34 PolarHBondContact O-N 2.84Å; K34-D36 PolarHBondContact O-N 3.1Å |
| 35 | Q | 67.8 | Low | 74 | Confident | 45 Ų | 45 | 119 Ų | 119 | 21% | 0.21 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -57.4 | 132.2 | 166 | -77.4 | 167.8 | -53.9 | 0 | 0 | 108.8 | E31 F40 D143 | E31-Q35 PolarHBondContact O-N 2.91Å; Q35-F40 HydrophobicContact CB-CE2 4.15Å; Q35-F40 HydrophobicContact CB-CZ 4.41Å; Q35-D143 PolarHBondContact NE2-OD2 2.86Å |
| 36 | D | 63.2 | Low | 73.7 | Confident | 82 Ų | 82 | 123.4 Ų | 123.4 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | trans | -58.7 | 127 | -177.3 | -173.9 | -27.3 | 0 | 0 | 0 | 109.8 | K34 I38 K39 | K34-D36 PolarHBondContact O-N 3.1Å; D36-I38 PolarHBondContact O-N 3.07Å; D36-I38 VanDerWaalsContact OD1-CB 3.3Å; D36-I38 WeakPolarHBondContact OD1-CB 3.24Å; D36-I38 VanDerWaalsContact OD1-CG1 3.3Å; D36-I38 WeakPolarHBondContact OD1-CG1 3.39Å; D36-I38 PolarHBondContact OD1-N 2.71Å; D36-K39 HydrophobicContact CB-CG 4.43Å; D36-K39 VanDerWaalsContact O-CB 3.29Å; D36-K39 WeakPolarHBondContact O-CB 3.37Å; D36-K39 PolarHBondContact O-N 2.68Å | ||
| 37 | P | 67.9 | Low | 73.6 | Confident | 103 Ų | 103 | 122.7 Ų | 122.7 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -56.9 | -23 | 178 | 24 | -35.4 | 0 | 0 | 0 | 113.5 | K39 F40 | P37-K39 PolarHBondContact O-N 3.31Å; P37-F40 PolarHBondContact O-N 3.44Å |
| 38 | I | 64.5 | Low | 73.5 | Confident | 122 Ų | 122 | 119.7 Ų | 119.7 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -62.4 | -31.1 | 174.1 | -61.3 | 171.3 | 0 | 0 | 0 | 111.3 | D36 F40 L41 | D36-I38 PolarHBondContact O-N 3.07Å; D36-I38 VanDerWaalsContact OD1-CB 3.3Å; D36-I38 WeakPolarHBondContact OD1-CB 3.24Å; D36-I38 VanDerWaalsContact OD1-CG1 3.3Å; D36-I38 WeakPolarHBondContact OD1-CG1 3.39Å; D36-I38 PolarHBondContact OD1-N 2.71Å; I38-F40 PolarHBondContact O-N 3.06Å; I38-L41 PolarHBondContact O-N 3.26Å |
| 39 | K | 64.8 | Low | 73.6 | Confident | 116 Ų | 116 | 124 Ų | 124 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -57.7 | -23 | 175.7 | -74.1 | -163.1 | 170.8 | -154.1 | 0 | 113.9 | D36 P37 D143 | D36-K39 HydrophobicContact CB-CG 4.43Å; D36-K39 VanDerWaalsContact O-CB 3.29Å; D36-K39 WeakPolarHBondContact O-CB 3.37Å; D36-K39 PolarHBondContact O-N 2.68Å; P37-K39 PolarHBondContact O-N 3.31Å; K39-D143 IonicContact NZ-OD1 3.64Å; K39-D143 PolarHBondContact NZ-OD1 3.31Å; K39-D143 IonicContact NZ-OD2 3.23Å; K39-D143 PolarHBondContact NZ-OD2 3.42Å |
| 40 | F | 64.2 | Low | 73.4 | Confident | 142 Ų | 142 | 124.5 Ų | 124.5 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -105 | -3.6 | -178.8 | -55.5 | -70.2 | 0 | 0 | 0 | 113.1 | Q35 P37 I38 R42 | Q35-F40 HydrophobicContact CB-CE2 4.15Å; Q35-F40 HydrophobicContact CB-CZ 4.41Å; P37-F40 PolarHBondContact O-N 3.44Å; I38-F40 PolarHBondContact O-N 3.06Å; F40-R42 PolarHBondContact O-N 3.24Å; F40-R42 VanDerWaalsContact O-N 3.13Å |
| 41 | L | 68.8 | Low | 73.2 | Confident | 115 Ų | 115 | 122.7 Ų | 122.7 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | trans | -88.7 | 72 | -175 | -171.8 | 66.1 | 0 | 0 | 0 | 111.8 | I38 L43 | I38-L41 PolarHBondContact O-N 3.26Å; L41-L43 HydrophobicContact CD1-CD2 4.29Å; L41-L43 HydrophobicContact CG-CD2 4.28Å; L41-L43 HydrophobicContact CG-CG 4.21Å; L41-L43 PolarHBondContact O-N 2.96Å | ||
| 42 | R | 68.4 | Low | 73.3 | Confident | 108 Ų | 108 | 129.1 Ų | 129.1 | 41% | 0.408 | 65% | 0.647 | S | S | . | * | trans | -78.3 | 100.3 | 177.6 | -152.2 | 169.1 | -159.5 | -141.1 | -1.5 | 111.3 | F40 F44 E136 E139 | F40-R42 PolarHBondContact O-N 3.24Å; F40-R42 VanDerWaalsContact O-N 3.13Å; R42-F44 HydrophobicContact CB-CE2 4.38Å; R42-F44 HydrophobicContact CG-CE2 3.94Å; R42-F44 HydrophobicContact CG-CZ 4.06Å; R42-E136 IonicContact CZ-OE1 2.89Å; R42-E136 IonicContact NH1-OE1 2.77Å; R42-E136 PolarHBondContact NH1-OE1 3.1Å; R42-E136 IonicContact NH2-OE1 3.57Å; R42-E136 PolarHBondContact NH2-OE1 2.77Å; R42-E139 IonicContact CZ-OE2 3.85Å; R42-E139 IonicContact NE-OE2 2.94Å; R42-E139 PolarHBondContact NE-OE2 2.97Å; R42-E139 IonicContact NH2-OE2 3.9Å; R42-E139 PolarHBondContact NH2-OE2 2.74Å | ||
| 43 | L | 73 | Confident | 73.7 | Confident | 147 Ų | 147 | 124.7 Ų | 124.7 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -87.7 | 105.4 | 179.1 | -66 | 176 | 0 | 0 | 0 | 111.3 | L41 | L41-L43 HydrophobicContact CD1-CD2 4.29Å; L41-L43 HydrophobicContact CG-CD2 4.28Å; L41-L43 HydrophobicContact CG-CG 4.21Å; L41-L43 PolarHBondContact O-N 2.96Å | ||
| 44 | F | 80 | Confident | 74.2 | Confident | 165 Ų | 165 | 122.6 Ų | 122.6 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | trans | -90.4 | 115.9 | 170.1 | -67.3 | -78.1 | 0 | 0 | 0 | 111.1 | R42 | R42-F44 HydrophobicContact CB-CE2 4.38Å; R42-F44 HydrophobicContact CG-CE2 3.94Å; R42-F44 HydrophobicContact CG-CZ 4.06Å | ||
| 45 | G | 80.6 | Confident | 74.6 | Confident | 77 Ų | 77 | 121.2 Ų | 121.2 | 79% | 0.794 | 63% | 0.628 | S | S | * | * | trans | -97.7 | 144.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 46 | R | 81.8 | Confident | 75.3 | Confident | 233 Ų | 233 | 123.6 Ų | 123.6 | 88% | 0.879 | 65% | 0.645 | S | S | * | * | trans | -120.1 | 137.3 | 156.2 | -74.9 | -177.3 | 174.2 | 170.3 | -2.1 | 108 | S48 | R46-S48 PolarHBondContact O-N 2.78Å; R46-S48 VanDerWaalsContact O-N 3.08Å; R46-S48 PolarHBondContact O-OG 3.39Å | ||
| 47 | S | 82.4 | Confident | 76.2 | Confident | 133 Ų | 133 | 120.6 Ų | 120.6 | 93% | 0.93 | 63% | 0.63 | S | S | * | * | trans | -58.1 | 115.4 | 172.5 | 39 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 48 | S | 76.3 | Confident | 76.9 | Confident | 84 Ų | 84 | 122.1 Ų | 122.1 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | trans | -142.3 | 128.4 | -179.9 | 46.2 | 0 | 0 | 0 | 0 | 108.3 | R46 L50 | R46-S48 PolarHBondContact O-N 2.78Å; R46-S48 VanDerWaalsContact O-N 3.08Å; R46-S48 PolarHBondContact O-OG 3.39Å; S48-L50 PolarHBondContact O-N 3.47Å | ||
| 49 | K | 78.5 | Confident | 77.7 | Confident | 148 Ų | 148 | 118.5 Ų | 118.5 | 64% | 0.643 | 62% | 0.615 | S | S | * | * | trans | -82 | 100.5 | -179.1 | -156.2 | 173.4 | -179.6 | -173.9 | 0 | 107.2 | H51 E61 | K49-H51 WeakPolarHBondContact CB-NE2 3.18Å; K49-H51 WeakPolarHBondContact CD-NE2 3.21Å; K49-H51 WeakPolarHBondContact CG-NE2 3.3Å; K49-H51 PolarHBondContact O-CD2 3.17Å; K49-H51 PolarHBondContact O-N 3.5Å; K49-E61 WeakPolarHBondContact CE-OE1 3.5Å; K49-E61 IonicContact NZ-OE1 3.56Å; K49-E61 PolarHBondContact NZ-OE1 3.09Å | ||
| 50 | L | 77.3 | Confident | 78.4 | Confident | 151 Ų | 151 | 115 Ų | 115 | 79% | 0.791 | 61% | 0.607 | S | S | * | * | trans | -79.5 | 88.1 | -173.5 | -70.7 | 178.1 | 0 | 0 | 0 | 111 | S48 L52 | S48-L50 PolarHBondContact O-N 3.47Å; L50-L52 PolarHBondContact O-N 3.14Å | ||
| 51 | H | 78.6 | Confident | 79.3 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 42% | 0.417 | 60% | 0.598 | S | S | . | * | trans | -78.3 | 94.1 | 177.1 | -61.5 | -71.4 | 0 | 0 | 0 | 110.8 | K49 D53 T57 E61 | K49-H51 WeakPolarHBondContact CB-NE2 3.18Å; K49-H51 WeakPolarHBondContact CD-NE2 3.21Å; K49-H51 WeakPolarHBondContact CG-NE2 3.3Å; K49-H51 PolarHBondContact O-CD2 3.17Å; K49-H51 PolarHBondContact O-N 3.5Å; H51-D53 PolarHBondContact O-N 2.85Å; H51-T57 HydrophobicContact CB-CG2 4.45Å; H51-T57 WeakPolarHBondContact CB-OG1 3.38Å; H51-T57 WeakPolarHBondContact CE1-CG2 3.45Å; H51-T57 WeakPolarHBondContact ND1-CG2 3.2Å; H51-T57 PolarHBondContact ND1-OG1 3.28Å; H51-E61 IonicContact CE1-OE1 3.65Å; H51-E61 PolarHBondContact CE1-OE1 3.28Å | ||
| 52 | L | 77.3 | Confident | 80 | Confident | 184 Ų | 184 | 110 Ų | 110 | 96% | 0.963 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -61.9 | -30.9 | 177.5 | -72 | 173.7 | 0 | 0 | 0 | 113.1 | L50 | L50-L52 PolarHBondContact O-N 3.14Š|
| 53 | D | 83.2 | Confident | 80.7 | Confident | 82 Ų | 82 | 109.4 Ų | 109.4 | 44% | 0.439 | 59% | 0.594 | S | S | . | * | trans | -139.4 | 134.2 | 175.9 | -170.7 | -25.2 | 0 | 0 | 0 | 109.2 | H51 E55 V56 T57 | H51-D53 PolarHBondContact O-N 2.85Å; D53-E55 PolarHBondContact OD1-N 2.68Å; D53-V56 HydrophobicContact CB-CB 4.13Å; D53-V56 HydrophobicContact CB-CG2 3.94Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 3.04Å; D53-T57 PolarHBondContact O-OG1 2.9Å | ||
| 54 | S | 83.5 | Confident | 81.3 | Confident | 64 Ų | 64 | 108 Ų | 108 | 45% | 0.448 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.6 | -31.9 | -179.5 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | K58 | S54-K58 WeakPolarHBondContact O-CD 3.36Å; S54-K58 VanDerWaalsContact O-CG 3.26Å; S54-K58 WeakPolarHBondContact O-CG 3.4Å; S54-K58 PolarHBondContact O-N 2.79Å; S54-K58 WeakPolarHBondContact OG-CE 3.38Å; S54-K58 PolarHBondContact OG-NZ 2.96Å; S54-K58 VanDerWaalsContact OG-NZ 3.07Å |
| 55 | E | 83.9 | Confident | 81.6 | Confident | 154 Ų | 154 | 102.9 Ų | 102.9 | 72% | 0.72 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.1 | -46.1 | -178.2 | -62.1 | -164.7 | 168.4 | 0 | 0 | 111 | D53 T57 K58 A59 | D53-E55 PolarHBondContact OD1-N 2.68Å; E55-T57 PolarHBondContact O-N 3.18Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-A59 WeakPolarHBondContact O-CB 3.39Å; E55-A59 PolarHBondContact O-N 3.14Å |
| 56 | V | 82.3 | Confident | 82 | Confident | 95 Ų | 95 | 101 Ų | 101 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.9 | -38.3 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | D53 A59 A60 | D53-V56 HydrophobicContact CB-CB 4.13Å; D53-V56 HydrophobicContact CB-CG2 3.94Å; V56-A59 PolarHBondContact O-N 3.13Å; V56-A60 WeakPolarHBondContact O-CB 3.42Å; V56-A60 PolarHBondContact O-N 3.47Å |
| 57 | T | 82.1 | Confident | 82.2 | Confident | 20 Ų | 20 | 92.7 Ų | 92.7 | 12% | 0.123 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -61.8 | -52.8 | 174 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | H51 D53 E55 A59 A60 E61 | H51-T57 HydrophobicContact CB-CG2 4.45Å; H51-T57 WeakPolarHBondContact CB-OG1 3.38Å; H51-T57 WeakPolarHBondContact CE1-CG2 3.45Å; H51-T57 WeakPolarHBondContact ND1-CG2 3.2Å; H51-T57 PolarHBondContact ND1-OG1 3.28Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 3.04Å; D53-T57 PolarHBondContact O-OG1 2.9Å; E55-T57 PolarHBondContact O-N 3.18Å; T57-A59 PolarHBondContact O-N 3.47Å; T57-A60 PolarHBondContact O-N 2.98Å; T57-A60 VanDerWaalsContact O-N 3.12Å; T57-E61 HydrophobicContact CG2-CG 4.39Å; T57-E61 WeakPolarHBondContact O-CB 3.3Å; T57-E61 WeakPolarHBondContact O-CG 3.3Å; T57-E61 PolarHBondContact O-N 2.92Å |
| 58 | K | 82.6 | Confident | 82.5 | Confident | 135 Ų | 135 | 89.7 Ų | 89.7 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -30.3 | 179.1 | -71.4 | 161.1 | -176.8 | 158 | 0 | 112.2 | S54 E55 N62 | S54-K58 WeakPolarHBondContact O-CD 3.36Å; S54-K58 VanDerWaalsContact O-CG 3.26Å; S54-K58 WeakPolarHBondContact O-CG 3.4Å; S54-K58 PolarHBondContact O-N 2.79Å; S54-K58 WeakPolarHBondContact OG-CE 3.38Å; S54-K58 PolarHBondContact OG-NZ 2.96Å; S54-K58 VanDerWaalsContact OG-NZ 3.07Å; E55-K58 PolarHBondContact O-N 3.16Å; K58-N62 PolarHBondContact O-N 3Å |
| 59 | A | 82.5 | Confident | 83 | Confident | 46 Ų | 46 | 89 Ų | 89 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.8 | -42.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E55 V56 T57 N62 N65 | E55-A59 WeakPolarHBondContact O-CB 3.39Å; E55-A59 PolarHBondContact O-N 3.14Å; V56-A59 PolarHBondContact O-N 3.13Å; T57-A59 PolarHBondContact O-N 3.47Å; A59-N62 VanDerWaalsContact O-CB 3.29Å; A59-N62 WeakPolarHBondContact O-CB 3.43Å; A59-N65 PolarHBondContact O-ND2 3.01Å |
| 60 | A | 79.6 | Confident | 83.2 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 35% | 0.347 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V56 T57 N62 M66 | V56-A60 WeakPolarHBondContact O-CB 3.42Å; V56-A60 PolarHBondContact O-N 3.47Å; T57-A60 PolarHBondContact O-N 2.98Å; T57-A60 VanDerWaalsContact O-N 3.12Å; A60-N62 PolarHBondContact O-N 3.3Å; A60-M66 WeakPolarHBondContact O-CG 3.17Å |
| 61 | E | 82.8 | Confident | 83.2 | Confident | 93 Ų | 93 | 79.2 Ų | 79.2 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.2 | 179.5 | -63.7 | -177.8 | 158.3 | 0 | 0 | 113.6 | K49 H51 T57 | K49-E61 WeakPolarHBondContact CE-OE1 3.5Å; K49-E61 IonicContact NZ-OE1 3.56Å; K49-E61 PolarHBondContact NZ-OE1 3.09Å; H51-E61 IonicContact CE1-OE1 3.65Å; H51-E61 PolarHBondContact CE1-OE1 3.28Å; T57-E61 HydrophobicContact CG2-CG 4.39Å; T57-E61 WeakPolarHBondContact O-CB 3.3Å; T57-E61 WeakPolarHBondContact O-CG 3.3Å; T57-E61 PolarHBondContact O-N 2.92Å |
| 62 | N | 83.9 | Confident | 83.4 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 32% | 0.321 | 43% | 0.431 | S | S | . | . | trans | -66.3 | 128.1 | 177.1 | -171.1 | -32.8 | 0 | 0 | 0 | 110.3 | K58 A59 A60 N64 N65 M66 | K58-N62 PolarHBondContact O-N 3Å; A59-N62 VanDerWaalsContact O-CB 3.29Å; A59-N62 WeakPolarHBondContact O-CB 3.43Å; A60-N62 PolarHBondContact O-N 3.3Å; N62-N64 PolarHBondContact O-N 2.9Å; N62-N64 WeakPolarHBondContact OD1-CB 3.13Å; N62-N64 PolarHBondContact OD1-N 3.24Å; N62-N65 PolarHBondContact O-N 3.11Å; N62-M66 PolarHBondContact O-N 3.35Å | ||
| 63 | P | 82.2 | Confident | 83.7 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 61% | 0.61 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.9 | 177.9 | 24.5 | -35 | 0 | 0 | 0 | 114.2 | M66 R79 | P63-M66 VanDerWaalsContact O-O 3.05Å; P63-R79 PolarHBondContact O-NH2 3.23Å |
| 64 | N | 85.2 | Confident | 83.9 | Confident | 118 Ų | 118 | 74 Ų | 74 | 63% | 0.631 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.8 | 171.3 | -70.2 | -7.1 | 0 | 0 | 0 | 113.8 | N62 R79 | N62-N64 PolarHBondContact O-N 2.9Å; N62-N64 WeakPolarHBondContact OD1-CB 3.13Å; N62-N64 PolarHBondContact OD1-N 3.24Å; N64-R79 VanDerWaalsContact O-CD 3.25Å; N64-R79 WeakPolarHBondContact O-CD 3.47Å; N64-R79 PolarHBondContact O-NE 3.44Å; N64-R79 PolarHBondContact O-NH1 2.93Å |
| 65 | N | 86.2 | Confident | 83.9 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 31% | 0.305 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -17.7 | 176.6 | -72.6 | -12.5 | 0 | 0 | 0 | 112.7 | A59 N62 R79 | A59-N65 PolarHBondContact O-ND2 3.01Å; N62-N65 PolarHBondContact O-N 3.11Å; N65-R79 WeakPolarHBondContact O-CB 3.25Å; N65-R79 VanDerWaalsContact O-CG 3.25Å; N65-R79 WeakPolarHBondContact O-CG 3.27Å; N65-R79 PolarHBondContact O-N 3.41Å |
| 66 | M | 89.1 | Confident | 84.1 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 19% | 0.192 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 151.8 | 172.5 | -59.8 | -62.8 | -67.8 | 0 | 0 | 111.8 | A60 N62 P63 M76 I77 R79 | A60-M66 WeakPolarHBondContact O-CG 3.17Å; N62-M66 PolarHBondContact O-N 3.35Å; P63-M66 VanDerWaalsContact O-O 3.05Å; M66-M76 HydrophobicContact CB-CE 3.7Å; M66-M76 VanDerWaalsContact CE-C 3.44Å; M66-M76 HydrophobicContact CE-CB 3.67Å; M66-M76 WeakPolarHBondContact CE-O 3.37Å; M66-I77 CarbonylContact C-O 3.5Å; M66-I77 VanDerWaalsContact CA-O 3.3Å; M66-I77 WeakPolarHBondContact CA-O 3.46Å; M66-I77 VanDerWaalsContact CE-C 3.43Å; M66-R79 PolarHBondContact O-NE 2.85Å; M66-R79 PolarHBondContact O-NH2 3.29Å; M66-R79 VanDerWaalsContact O-NH2 3.1Å |
| 67 | M | 87.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 67 Ų | 67 | 29% | 0.286 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.6 | 166.3 | 61.4 | 159.7 | 72 | 0 | 0 | 110.4 | M76 I77 R79 A84 | M67-M76 VanDerWaalsContact C-CE 3.44Å; M67-M76 CarbonylContact O-C 3.58Å; M67-M76 WeakPolarHBondContact O-CA 3.44Å; M67-I77 HydrophobicContact CG-CD1 4.46Å; M67-I77 HydrophobicContact CG-CG1 3.91Å; M67-I77 PolarHBondContact N-O 3.29Å; M67-I77 PolarHBondContact O-N 3.31Å; M67-R79 HydrophobicContact CB-CG 3.88Å; M67-R79 HydrophobicContact CE-CB 4.08Å; M67-R79 HydrophobicContact CE-CG 3.74Å; M67-R79 HydrophobicContact CG-CG 3.87Å; M67-A84 HydrophobicContact CE-CB 3.96Å; M67-A84 HydrophobicContact CG-CB 4.49Å; M67-A84 HydrophobicContact SD-CB 3.61Å |
| 68 | P | 88 | Confident | 84.7 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 138.7 | 168.3 | -16.8 | 30.8 | 0 | 0 | 0 | 110 | P73 M76 | P68-P73 HydrophobicContact CB-CB 4.14Å; P68-M76 HydrophobicContact CB-SD 4.26Å; P68-M76 HydrophobicContact CG-SD 4.01Å |
| 69 | W | 86 | Confident | 85 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 27% | 0.265 | 38% | 0.383 | S | S | . | . | trans | -68.1 | 137.5 | 168.7 | 178.6 | 41.5 | 0 | 0 | 0 | 109.5 | G71 D72 I75 I77 | W69-G71 PolarHBondContact O-N 2.86Å; W69-D72 HydrophobicContact CE3-CB 3.89Å; W69-D72 VanDerWaalsContact CE3-N 3.27Å; W69-D72 HydrophobicContact CZ3-CB 4.03Å; W69-D72 CarbonylContact O-C 3.54Å; W69-D72 VanDerWaalsContact O-C 3.27Å; W69-D72 PolarHBondContact O-N 3.24Å; W69-I75 HydrophobicContact CB-CB 4.45Å; W69-I75 VanDerWaalsContact CB-O 3.31Å; W69-I75 WeakPolarHBondContact CB-O 3.27Å; W69-I75 HydrophobicContact CE3-CB 4.37Å; W69-I75 HydrophobicContact CE3-CD1 4.1Å; W69-I75 HydrophobicContact CZ3-CD1 4.23Å; W69-I75 PolarHBondContact N-O 3.19Å; W69-I77 HydrophobicContact CB-CD1 4.03Å; W69-I77 HydrophobicContact CB-CG1 4.21Å; W69-I77 HydrophobicContact CB-CG2 3.96Å; W69-I77 HydrophobicContact CG-CD1 4.32Å | ||
| 70 | V | 83 | Confident | 85.1 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -58.9 | -32.8 | 178.4 | -147.6 | 0 | 0 | 0 | 0 | 111.4 | Y89 | V70-Y89 HydrophobicContact CB-CD1 3.8Å; V70-Y89 HydrophobicContact CB-CE1 3.82Å; V70-Y89 HydrophobicContact CG1-CD1 4.06Å; V70-Y89 HydrophobicContact CG1-CE1 3.74Å; V70-Y89 WeakPolarHBondContact O-CE1 3.29Å; V70-Y89 VanDerWaalsContact O-CZ 3.3Å; V70-Y89 PolarHBondContact O-OH 3.1Å |
| 71 | G | 78.5 | Confident | 85.5 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 22% | 0.216 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -71.5 | -37.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | W69 Y89 | W69-G71 PolarHBondContact O-N 2.86Å; G71-Y89 VanDerWaalsContact CA-CE2 3.5Å |
| 72 | D | 80.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | trans | -150.4 | 111 | 174.2 | 174.7 | -0.4 | 0 | 0 | 0 | 107.7 | W69 S74 I75 | W69-D72 HydrophobicContact CE3-CB 3.89Å; W69-D72 VanDerWaalsContact CE3-N 3.27Å; W69-D72 HydrophobicContact CZ3-CB 4.03Å; W69-D72 CarbonylContact O-C 3.54Å; W69-D72 VanDerWaalsContact O-C 3.27Å; W69-D72 PolarHBondContact O-N 3.24Å; D72-S74 PolarHBondContact O-N 3.32Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 WeakPolarHBondContact OD1-CB 3.45Å; D72-S74 PolarHBondContact OD1-N 3.49Å; D72-S74 PolarHBondContact OD1-OG 3.05Å; D72-S74 PolarHBondContact OD2-OG 3.48Å; D72-I75 HydrophobicContact CB-CD1 4.16Å; D72-I75 HydrophobicContact CB-CG1 4.21Å; D72-I75 PolarHBondContact O-N 3.01Å | ||
| 73 | P | 85 | Confident | 85.6 | Confident | 96 Ų | 96 | 77.2 Ų | 77.2 | 62% | 0.623 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -6.2 | -177.5 | 29.9 | -35.8 | 0 | 0 | 0 | 113.7 | P68 I75 | P68-P73 HydrophobicContact CB-CB 4.14Å; P73-I75 VanDerWaalsContact C-N 3.29Å |
| 74 | S | 86.4 | Confident | 85.7 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -23.9 | 167.8 | 85.6 | 0 | 0 | 0 | 0 | 112.5 | D72 M76 | D72-S74 PolarHBondContact O-N 3.32Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 WeakPolarHBondContact OD1-CB 3.45Å; D72-S74 PolarHBondContact OD1-N 3.49Å; D72-S74 PolarHBondContact OD1-OG 3.05Å; D72-S74 PolarHBondContact OD2-OG 3.48Å; S74-M76 PolarHBondContact O-N 3.21Å |
| 75 | I | 84.7 | Confident | 85.6 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 36% | 0.359 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -94 | 101.8 | -178.7 | -57.5 | -179.9 | 0 | 0 | 0 | 109.3 | W69 D72 P73 I77 | W69-I75 HydrophobicContact CB-CB 4.45Å; W69-I75 VanDerWaalsContact CB-O 3.31Å; W69-I75 WeakPolarHBondContact CB-O 3.27Å; W69-I75 HydrophobicContact CE3-CB 4.37Å; W69-I75 HydrophobicContact CE3-CD1 4.1Å; W69-I75 HydrophobicContact CZ3-CD1 4.23Å; W69-I75 PolarHBondContact N-O 3.19Å; D72-I75 HydrophobicContact CB-CD1 4.16Å; D72-I75 HydrophobicContact CB-CG1 4.21Å; D72-I75 PolarHBondContact O-N 3.01Å; P73-I75 VanDerWaalsContact C-N 3.29Å; I75-I77 HydrophobicContact CG2-CG2 4.23Å |
| 76 | M | 87.3 | Confident | 85.3 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131 | 170.3 | -62.1 | -63 | -64.2 | 0 | 0 | 110.6 | M66 M67 P68 S74 | M66-M76 HydrophobicContact CB-CE 3.7Å; M66-M76 VanDerWaalsContact CE-C 3.44Å; M66-M76 HydrophobicContact CE-CB 3.67Å; M66-M76 WeakPolarHBondContact CE-O 3.37Å; M67-M76 VanDerWaalsContact C-CE 3.44Å; M67-M76 CarbonylContact O-C 3.58Å; M67-M76 WeakPolarHBondContact O-CA 3.44Å; P68-M76 HydrophobicContact CB-SD 4.26Å; P68-M76 HydrophobicContact CG-SD 4.01Å; S74-M76 PolarHBondContact O-N 3.21Å |
| 77 | I | 87.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 158.2 | 175.5 | 60.4 | 172 | 0 | 0 | 0 | 110.9 | M66 M67 W69 I75 D81 R83 A84 | M66-I77 CarbonylContact C-O 3.5Å; M66-I77 VanDerWaalsContact CA-O 3.3Å; M66-I77 WeakPolarHBondContact CA-O 3.46Å; M66-I77 VanDerWaalsContact CE-C 3.43Å; M67-I77 HydrophobicContact CG-CD1 4.46Å; M67-I77 HydrophobicContact CG-CG1 3.91Å; M67-I77 PolarHBondContact N-O 3.29Å; M67-I77 PolarHBondContact O-N 3.31Å; W69-I77 HydrophobicContact CB-CD1 4.03Å; W69-I77 HydrophobicContact CB-CG1 4.21Å; W69-I77 HydrophobicContact CB-CG2 3.96Å; W69-I77 HydrophobicContact CG-CD1 4.32Å; I75-I77 HydrophobicContact CG2-CG2 4.23Å; I77-D81 HydrophobicContact CB-CB 4.42Å; I77-R83 HydrophobicContact CD1-CB 3.9Å; I77-R83 VanDerWaalsContact CG2-CZ 3.48Å; I77-A84 HydrophobicContact CD1-CB 4Å |
| 78 | D | 89.7 | Confident | 83.4 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 32% | 0.321 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.5 | 170.7 | -171.6 | -36.3 | 0 | 0 | 0 | 109.2 | F80 D81 | D78-F80 PolarHBondContact O-N 2.73Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.17Å; D78-F80 PolarHBondContact OD1-N 2.84Å; D78-D81 HydrophobicContact CB-CB 4.21Å; D78-D81 WeakPolarHBondContact O-CB 3.44Å; D78-D81 PolarHBondContact O-N 2.91Å |
| 79 | R | 88.3 | Confident | 82.2 | Confident | 114 Ų | 114 | 86.2 Ų | 86.2 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.4 | 176.2 | -70.5 | 176.5 | -170.3 | -149.9 | 9 | 113.4 | P63 N64 N65 M66 M67 | P63-R79 PolarHBondContact O-NH2 3.23Å; N64-R79 VanDerWaalsContact O-CD 3.25Å; N64-R79 WeakPolarHBondContact O-CD 3.47Å; N64-R79 PolarHBondContact O-NE 3.44Å; N64-R79 PolarHBondContact O-NH1 2.93Å; N65-R79 WeakPolarHBondContact O-CB 3.25Å; N65-R79 VanDerWaalsContact O-CG 3.25Å; N65-R79 WeakPolarHBondContact O-CG 3.27Å; N65-R79 PolarHBondContact O-N 3.41Å; M66-R79 PolarHBondContact O-NE 2.85Å; M66-R79 PolarHBondContact O-NH2 3.29Å; M66-R79 VanDerWaalsContact O-NH2 3.1Å; M67-R79 HydrophobicContact CB-CG 3.88Å; M67-R79 HydrophobicContact CE-CB 4.08Å; M67-R79 HydrophobicContact CE-CG 3.74Å; M67-R79 HydrophobicContact CG-CG 3.87Å |
| 80 | F | 84.4 | Confident | 81 | Confident | 176 Ų | 176 | 87.9 Ų | 87.9 | 77% | 0.772 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 5.1 | 173.5 | -53.4 | -73.4 | 0 | 0 | 0 | 113.1 | D78 | D78-F80 PolarHBondContact O-N 2.73Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.17Å; D78-F80 PolarHBondContact OD1-N 2.84Å |
| 81 | D | 88.4 | Confident | 79.8 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -64.7 | 142.2 | 169.8 | -165.9 | -64.3 | 0 | 0 | 0 | 110.2 | I77 D78 R83 A84 | I77-D81 HydrophobicContact CB-CB 4.42Å; D78-D81 HydrophobicContact CB-CB 4.21Å; D78-D81 WeakPolarHBondContact O-CB 3.44Å; D78-D81 PolarHBondContact O-N 2.91Å; D81-R83 PolarHBondContact O-N 3.44Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.41Å; D81-R83 VanDerWaalsContact OD1-CG 3.28Å; D81-R83 WeakPolarHBondContact OD1-CG 3.41Å; D81-R83 IonicContact OD1-CZ 3.66Å; D81-R83 PolarHBondContact OD1-N 3.05Å; D81-R83 IonicContact OD1-NE 2.74Å; D81-R83 PolarHBondContact OD1-NE 3.16Å; D81-R83 IonicContact OD1-NH2 2.82Å; D81-R83 IonicContact OD2-CZ 2.66Å; D81-R83 IonicContact OD2-NE 3.97Å; D81-R83 PolarHBondContact OD2-NE 3.13Å; D81-R83 IonicContact OD2-NH2 2.67Å; D81-R83 PolarHBondContact OD2-NH2 3.17Å; D81-A84 VanDerWaalsContact O-CB 3.3Å; D81-A84 WeakPolarHBondContact O-CB 3.39Å; D81-A84 PolarHBondContact O-N 2.98Å |
| 82 | V | 86.3 | Confident | 78.6 | Confident | 116 Ų | 116 | 95.9 Ų | 95.9 | 70% | 0.703 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -58.6 | -28.2 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | A84 S85 | V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.2Å; V82-S85 PolarHBondContact O-N 2.95Å |
| 83 | R | 84 | Confident | 77.3 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 38% | 0.381 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -66.6 | -25.7 | 174.5 | -64.4 | 173.4 | -70.5 | 164.4 | -2.2 | 113.7 | I77 D81 S85 L86 | I77-R83 HydrophobicContact CD1-CB 3.9Å; I77-R83 VanDerWaalsContact CG2-CZ 3.48Å; D81-R83 PolarHBondContact O-N 3.44Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.41Å; D81-R83 VanDerWaalsContact OD1-CG 3.28Å; D81-R83 WeakPolarHBondContact OD1-CG 3.41Å; D81-R83 IonicContact OD1-CZ 3.66Å; D81-R83 PolarHBondContact OD1-N 3.05Å; D81-R83 IonicContact OD1-NE 2.74Å; D81-R83 PolarHBondContact OD1-NE 3.16Å; D81-R83 IonicContact OD1-NH2 2.82Å; D81-R83 IonicContact OD2-CZ 2.66Å; D81-R83 IonicContact OD2-NE 3.97Å; D81-R83 PolarHBondContact OD2-NE 3.13Å; D81-R83 IonicContact OD2-NH2 2.67Å; D81-R83 PolarHBondContact OD2-NH2 3.17Å; R83-S85 PolarHBondContact O-N 3.05Å; R83-L86 PolarHBondContact O-N 3.15Å |
| 84 | A | 84.1 | Confident | 75.8 | Confident | 22 Ų | 22 | 98.1 Ų | 98.1 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -71.6 | -22.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M67 I77 D81 V82 L86 | M67-A84 HydrophobicContact CE-CB 3.96Å; M67-A84 HydrophobicContact CG-CB 4.49Å; M67-A84 HydrophobicContact SD-CB 3.61Å; I77-A84 HydrophobicContact CD1-CB 4Å; D81-A84 VanDerWaalsContact O-CB 3.3Å; D81-A84 WeakPolarHBondContact O-CB 3.39Å; D81-A84 PolarHBondContact O-N 2.98Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.2Å; A84-L86 VanDerWaalsContact C-N 3.35Å |
| 85 | S | 82 | Confident | 74.2 | Confident | 96 Ų | 96 | 100 Ų | 100 | 67% | 0.671 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -87.3 | 0.2 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | V82 R83 E87 | V82-S85 PolarHBondContact O-N 2.95Å; R83-S85 PolarHBondContact O-N 3.05Å; S85-E87 PolarHBondContact O-N 3.38Å |
| 86 | L | 79.9 | Confident | 72.9 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | trans | -88.9 | 79.1 | 174.6 | -61.3 | 179.1 | 0 | 0 | 0 | 109.4 | R83 A84 H88 | R83-L86 PolarHBondContact O-N 3.15Å; A84-L86 VanDerWaalsContact C-N 3.35Å; L86-H88 PolarHBondContact O-N 3.24Å; L86-H88 VanDerWaalsContact O-N 3.07Å | ||
| 87 | E | 70.4 | Confident | 71.9 | Confident | 163 Ų | 163 | 104.7 Ų | 104.7 | 76% | 0.762 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -52.6 | -31.2 | -179.7 | -62.7 | -176.9 | 160.5 | 0 | 0 | 113.2 | S85 | S85-E87 PolarHBondContact O-N 3.38Š|
| 88 | H | 66 | Low | 71 | Confident | 166 Ų | 166 | 112.4 Ų | 112.4 | 77% | 0.769 | 57% | 0.571 | S | S | * | * | trans | -132.5 | 110.5 | 176.2 | -63.5 | 79.5 | 0 | 0 | 0 | 109.5 | L86 | L86-H88 PolarHBondContact O-N 3.24Å; L86-H88 VanDerWaalsContact O-N 3.07Å | ||
| 89 | Y | 63.3 | Low | 70.1 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 35% | 0.345 | 57% | 0.573 | S | S | . | * | trans | -89.1 | 119.7 | 154.6 | 71.4 | -67.5 | 0 | 0 | 0 | 105.8 | V70 G71 T91 | V70-Y89 HydrophobicContact CB-CD1 3.8Å; V70-Y89 HydrophobicContact CB-CE1 3.82Å; V70-Y89 HydrophobicContact CG1-CD1 4.06Å; V70-Y89 HydrophobicContact CG1-CE1 3.74Å; V70-Y89 WeakPolarHBondContact O-CE1 3.29Å; V70-Y89 VanDerWaalsContact O-CZ 3.3Å; V70-Y89 PolarHBondContact O-OH 3.1Å; G71-Y89 VanDerWaalsContact CA-CE2 3.5Å; Y89-T91 HydrophobicContact CD2-CG2 4.15Å; Y89-T91 HydrophobicContact CE2-CG2 3.69Å; Y89-T91 WeakPolarHBondContact CE2-OG1 3.34Å; Y89-T91 PolarHBondContact O-N 2.92Å | ||
| 90 | D | 61.4 | Low | 69.6 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | trans | -83.8 | 100.9 | 174.8 | -154.1 | -3.7 | 0 | 0 | 0 | 107.1 | R92 | D90-R92 VanDerWaalsContact CG-NH1 3.28Å; D90-R92 PolarHBondContact O-N 3.42Å; D90-R92 WeakPolarHBondContact OD1-CG 3.22Å; D90-R92 IonicContact OD1-CZ 2.73Å; D90-R92 IonicContact OD1-NE 3.3Å; D90-R92 IonicContact OD1-NH1 2.68Å; D90-R92 PolarHBondContact OD1-NH1 3.31Å; D90-R92 IonicContact OD2-CZ 2.74Å; D90-R92 IonicContact OD2-NH1 2.63Å; D90-R92 PolarHBondContact OD2-NH1 2.87Å | ||
| 91 | T | 58.4 | Low | 69.1 | Low | 102 Ų | 102 | 104.4 Ų | 104.4 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | trans | -65.3 | 0.3 | -178.6 | -12.4 | 0 | 0 | 0 | 0 | 113.8 | Y89 V93 | Y89-T91 HydrophobicContact CD2-CG2 4.15Å; Y89-T91 HydrophobicContact CE2-CG2 3.69Å; Y89-T91 WeakPolarHBondContact CE2-OG1 3.34Å; Y89-T91 PolarHBondContact O-N 2.92Å; T91-V93 PolarHBondContact O-N 2.76Å | ||
| 92 | R | 52.2 | Low | 68.3 | Low | 159 Ų | 159 | 104.7 Ų | 104.7 | 60% | 0.6 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -54.7 | 104.1 | 164.6 | -67.1 | 179.8 | -179.5 | 114.9 | 2.6 | 109.1 | D90 A94 | D90-R92 VanDerWaalsContact CG-NH1 3.28Å; D90-R92 PolarHBondContact O-N 3.42Å; D90-R92 WeakPolarHBondContact OD1-CG 3.22Å; D90-R92 IonicContact OD1-CZ 2.73Å; D90-R92 IonicContact OD1-NE 3.3Å; D90-R92 IonicContact OD1-NH1 2.68Å; D90-R92 PolarHBondContact OD1-NH1 3.31Å; D90-R92 IonicContact OD2-CZ 2.74Å; D90-R92 IonicContact OD2-NH1 2.63Å; D90-R92 PolarHBondContact OD2-NH1 2.87Å; R92-A94 PolarHBondContact O-N 3.35Å |
| 93 | V | 54.4 | Low | 68 | Low | 135 Ų | 135 | 103.9 Ų | 103.9 | 82% | 0.818 | 55% | 0.545 | S | S | * | . | trans | -45.5 | 116.4 | 159.5 | 177.6 | 0 | 0 | 0 | 0 | 106.3 | T91 D95 | T91-V93 PolarHBondContact O-N 2.76Å; V93-D95 PolarHBondContact O-N 3.2Å | ||
| 94 | A | 52.3 | Low | 67.6 | Low | 68 Ų | 68 | 104.8 Ų | 104.8 | 56% | 0.562 | 55% | 0.548 | S | S | * | . | trans | -54.2 | 102.9 | -157.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R92 D96 I97 | R92-A94 PolarHBondContact O-N 3.35Å; A94-D96 PolarHBondContact O-N 2.81Å; A94-I97 HydrophobicContact CB-CG1 4.48Å; A94-I97 PolarHBondContact O-N 2.84Å | ||
| 95 | D | 53.8 | Low | 67.3 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 105.1 | -164.2 | -70.4 | -54.8 | 0 | 0 | 0 | 111.7 | V93 | V93-D95 PolarHBondContact O-N 3.2Š|
| 96 | D | 58 | Low | 67.2 | Low | 128 Ų | 128 | 103.8 Ų | 103.8 | 68% | 0.684 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.4 | 87 | -172.3 | -71.6 | -26.7 | 0 | 0 | 0 | 114 | A94 K98 | A94-D96 PolarHBondContact O-N 2.81Å; D96-K98 VanDerWaalsContact C-N 3.25Å; D96-K98 HydrophobicContact CB-CG 3.95Å; D96-K98 WeakPolarHBondContact O-CG 3.43Å; D96-K98 PolarHBondContact O-N 2.89Å |
| 97 | I | 66.2 | Low | 67.2 | Low | 133 Ų | 133 | 101.4 Ų | 101.4 | 68% | 0.682 | 52% | 0.523 | S | S | * | . | trans | -58.3 | 102 | 148.8 | -62 | -179.8 | 0 | 0 | 0 | 106 | A94 L99 | A94-I97 HydrophobicContact CB-CG1 4.48Å; A94-I97 PolarHBondContact O-N 2.84Å; I97-L99 HydrophobicContact CG2-CD2 4.36Å; I97-L99 PolarHBondContact O-N 2.83Å | ||
| 98 | K | 68.1 | Low | 67.8 | Low | 165 Ų | 165 | 95.2 Ų | 95.2 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | trans | -73.4 | 71.9 | -173.4 | -76.8 | 168.4 | -171.5 | 172.3 | 0 | 110.9 | D96 S100 | D96-K98 VanDerWaalsContact C-N 3.25Å; D96-K98 HydrophobicContact CB-CG 3.95Å; D96-K98 WeakPolarHBondContact O-CG 3.43Å; D96-K98 PolarHBondContact O-N 2.89Å; K98-S100 PolarHBondContact O-N 3.43Å | ||
| 99 | L | 69.7 | Low | 68.7 | Low | 69 Ų | 69 | 87.9 Ų | 87.9 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | trans | -43.3 | 125.1 | 171.3 | -63 | 176.5 | 0 | 0 | 0 | 108.7 | I97 E103 R104 | I97-L99 HydrophobicContact CG2-CD2 4.36Å; I97-L99 PolarHBondContact O-N 2.83Å; L99-E103 HydrophobicContact CB-CB 4.06Å; L99-E103 HydrophobicContact CD2-CB 4.03Å; L99-R104 HydrophobicContact CB-CG 3.61Å; L99-R104 HydrophobicContact CD1-CG 4.4Å; L99-R104 PolarHBondContact O-NE 2.96Å | ||
| 100 | S | 77.9 | Confident | 69.7 | Low | 45 Ų | 45 | 86.9 Ų | 86.9 | 32% | 0.315 | 47% | 0.465 | S | S | . | . | trans | -56.7 | 158.8 | 170.8 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | K98 T102 E103 R104 | K98-S100 PolarHBondContact O-N 3.43Å; S100-T102 PolarHBondContact O-N 3.47Å; S100-T102 VanDerWaalsContact O-N 3.1Å; S100-T102 PolarHBondContact OG-OG1 2.87Å; S100-E103 WeakPolarHBondContact CB-OE2 3.44Å; S100-E103 PolarHBondContact N-OE2 3.03Å; S100-E103 PolarHBondContact O-N 2.81Å; S100-E103 VanDerWaalsContact OG-CD 3.22Å; S100-E103 WeakPolarHBondContact OG-CG 3.45Å; S100-E103 PolarHBondContact OG-N 3.25Å; S100-E103 VanDerWaalsContact OG-N 3.15Å; S100-E103 PolarHBondContact OG-OE2 3.31Å; S100-R104 WeakPolarHBondContact O-CG 3.47Å; S100-R104 PolarHBondContact O-N 3.03Å | ||
| 101 | S | 73.8 | Confident | 71 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.8 | -31.3 | 175.9 | 52 | 0 | 0 | 0 | 0 | 112.5 | I105 | S101-I105 WeakPolarHBondContact O-CD1 3.38Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.17Å; S101-I105 PolarHBondContact O-N 2.85Å |
| 102 | T | 72.9 | Confident | 72.4 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.7 | -52.7 | 169 | 27.8 | 0 | 0 | 0 | 0 | 113 | S100 R104 I105 E106 I362 | S100-T102 PolarHBondContact O-N 3.47Å; S100-T102 VanDerWaalsContact O-N 3.1Å; S100-T102 PolarHBondContact OG-OG1 2.87Å; T102-R104 PolarHBondContact O-N 3.27Å; T102-I105 PolarHBondContact O-N 2.73Å; T102-E106 WeakPolarHBondContact O-CG 3.29Å; T102-E106 PolarHBondContact O-N 3.39Å; T102-I362 HydrophobicContact CG2-CD1 3.8Å |
| 103 | E | 78.5 | Confident | 74.1 | Confident | 98 Ų | 98 | 75.7 Ų | 75.7 | 46% | 0.458 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.7 | -33.2 | -178.8 | -68.6 | 154.7 | 142.5 | 0 | 0 | 112.4 | L99 S100 E106 A107 | L99-E103 HydrophobicContact CB-CB 4.06Å; L99-E103 HydrophobicContact CD2-CB 4.03Å; S100-E103 WeakPolarHBondContact CB-OE2 3.44Å; S100-E103 PolarHBondContact N-OE2 3.03Å; S100-E103 PolarHBondContact O-N 2.81Å; S100-E103 VanDerWaalsContact OG-CD 3.22Å; S100-E103 WeakPolarHBondContact OG-CG 3.45Å; S100-E103 PolarHBondContact OG-N 3.25Å; S100-E103 VanDerWaalsContact OG-N 3.15Å; S100-E103 PolarHBondContact OG-OE2 3.31Å; E103-E106 PolarHBondContact O-N 3.04Å; E103-A107 WeakPolarHBondContact O-CB 3.19Å; E103-A107 PolarHBondContact O-N 3.16Å |
| 104 | R | 77.4 | Confident | 75.8 | Confident | 121 Ų | 121 | 76 Ų | 76 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 171.9 | -68.9 | 178.7 | -171.8 | -147.9 | -9.2 | 111.6 | L99 S100 T102 A107 R108 | L99-R104 HydrophobicContact CB-CG 3.61Å; L99-R104 HydrophobicContact CD1-CG 4.4Å; L99-R104 PolarHBondContact O-NE 2.96Å; S100-R104 WeakPolarHBondContact O-CG 3.47Å; S100-R104 PolarHBondContact O-N 3.03Å; T102-R104 PolarHBondContact O-N 3.27Å; R104-A107 PolarHBondContact O-N 3.36Å; R104-R108 VanDerWaalsContact O-CG 3.27Å; R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 2.73Å; R104-R108 VanDerWaalsContact O-N 3.09Å |
| 105 | I | 76.3 | Confident | 77.6 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 177.2 | -61.4 | 162.2 | 0 | 0 | 0 | 109.9 | S101 T102 A107 R108 L109 L307 | S101-I105 WeakPolarHBondContact O-CD1 3.38Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.17Å; S101-I105 PolarHBondContact O-N 2.85Å; T102-I105 PolarHBondContact O-N 2.73Å; I105-A107 PolarHBondContact O-N 3.29Å; I105-R108 PolarHBondContact O-N 3.44Å; I105-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CG 4.43Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.37Å; I105-L109 PolarHBondContact O-N 3.05Å; I105-L307 HydrophobicContact CB-CD2 4.34Å; I105-L307 HydrophobicContact CG2-CD2 3.61Å |
| 106 | E | 79.6 | Confident | 79.3 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.5 | -70.4 | 178.5 | -141.5 | 0 | 0 | 112.2 | T102 E103 R108 L109 C110 R303 | T102-E106 WeakPolarHBondContact O-CG 3.29Å; T102-E106 PolarHBondContact O-N 3.39Å; E103-E106 PolarHBondContact O-N 3.04Å; E106-R108 PolarHBondContact O-N 3.35Å; E106-L109 PolarHBondContact O-N 3.14Å; E106-L109 VanDerWaalsContact O-N 3.15Å; E106-C110 PolarHBondContact O-N 3.32Å; E106-C110 PolarHBondContact O-SG 2.83Å; E106-C110 VanDerWaalsContact O-SG 3.35Å; E106-R303 IonicContact OE1-CZ 2.62Å; E106-R303 IonicContact OE1-NH1 4Å; E106-R303 PolarHBondContact OE1-NH1 3.47Å; E106-R303 IonicContact OE1-NH2 3.68Å; E106-R303 PolarHBondContact OE1-NH2 2.81Å; E106-R303 IonicContact OE2-CZ 2.85Å; E106-R303 IonicContact OE2-NH1 3.81Å; E106-R303 PolarHBondContact OE2-NH1 3Å; E106-R303 IonicContact OE2-NH2 3.66Å |
| 107 | A | 81.8 | Confident | 80.6 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E103 R104 I105 L109 C110 N111 | E103-A107 WeakPolarHBondContact O-CB 3.19Å; E103-A107 PolarHBondContact O-N 3.16Å; R104-A107 PolarHBondContact O-N 3.36Å; I105-A107 PolarHBondContact O-N 3.29Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.42Å; A107-C110 PolarHBondContact O-N 3.32Å; A107-N111 PolarHBondContact O-N 3.24Å |
| 108 | R | 83 | Confident | 81.7 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 174.8 | -68.7 | 167.7 | 74.5 | 140.5 | 6.4 | 112.1 | R104 I105 E106 Y112 D235 G315 Y317 | R104-R108 VanDerWaalsContact O-CG 3.27Å; R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 2.73Å; R104-R108 VanDerWaalsContact O-N 3.09Å; I105-R108 PolarHBondContact O-N 3.44Å; E106-R108 PolarHBondContact O-N 3.35Å; R108-Y112 PolarHBondContact O-N 3.49Å; R108-D235 IonicContact CZ-OD1 2.55Å; R108-D235 IonicContact CZ-OD2 3.2Å; R108-D235 VanDerWaalsContact CZ-OD2 3.28Å; R108-D235 IonicContact NE-OD1 3.1Å; R108-D235 IonicContact NE-OD2 2.66Å; R108-D235 PolarHBondContact NE-OD2 2.92Å; R108-D235 VanDerWaalsContact NH2-CG 3.26Å; R108-D235 IonicContact NH2-OD1 3.96Å; R108-D235 PolarHBondContact NH2-OD1 3.43Å; R108-D235 IonicContact NH2-OD2 3.73Å; R108-D235 PolarHBondContact NH2-OD2 3.19Å; R108-G315 PolarHBondContact NH1-O 3Å; R108-Y317 HydrophobicContact CG-CD2 4.49Å; R108-Y317 HydrophobicContact CG-CE2 3.58Å |
| 109 | L | 83.7 | Confident | 82.8 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.2 | -39.2 | 177.5 | -61.6 | 177.4 | 0 | 0 | 0 | 112.1 | I105 E106 A107 Y112 E113 L239 Y306 | I105-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CG 4.43Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.37Å; I105-L109 PolarHBondContact O-N 3.05Å; E106-L109 PolarHBondContact O-N 3.14Å; E106-L109 VanDerWaalsContact O-N 3.15Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.42Å; L109-Y112 PolarHBondContact O-N 2.92Å; L109-E113 PolarHBondContact O-N 3.21Å; L109-L239 HydrophobicContact CD2-CD1 3.78Å; L109-L239 HydrophobicContact CD2-CD2 3.45Å; L109-L239 VanDerWaalsContact CD2-CD2 3.45Å; L109-L239 HydrophobicContact CD2-CG 4.3Å; L109-Y306 HydrophobicContact CD1-CD2 4.08Å; L109-Y306 HydrophobicContact CD1-CG 4.27Å; L109-Y306 HydrophobicContact CD2-CD2 3.99Å; L109-Y306 HydrophobicContact CD2-CG 3.87Å; L109-Y306 HydrophobicContact CG-CD2 4.39Å |
| 110 | C | 85.3 | Confident | 83.6 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -34.7 | 173.9 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | E106 A107 R114 | E106-C110 PolarHBondContact O-N 3.32Å; E106-C110 PolarHBondContact O-SG 2.83Å; E106-C110 VanDerWaalsContact O-SG 3.35Å; A107-C110 PolarHBondContact O-N 3.32Å; C110-R114 WeakPolarHBondContact O-CB 3.48Å; C110-R114 PolarHBondContact O-N 3.07Å |
| 111 | N | 87.5 | Confident | 84.1 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 171.6 | -79.5 | 12.5 | 0 | 0 | 0 | 111.1 | A107 R114 Y115 G230 L231 | A107-N111 PolarHBondContact O-N 3.24Å; N111-R114 PolarHBondContact O-N 3.06Å; N111-R114 PolarHBondContact OD1-NH1 3.01Å; N111-R114 PolarHBondContact OD1-NH2 2.93Å; N111-Y115 HydrophobicContact CB-CD2 4.34Å; N111-Y115 HydrophobicContact CB-CE2 4.42Å; N111-Y115 WeakPolarHBondContact O-CD2 3.46Å; N111-Y115 PolarHBondContact O-N 3.31Å; N111-G230 PolarHBondContact ND2-O 2.86Å; N111-L231 HydrophobicContact CB-CD1 4.48Å |
| 112 | Y | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -53.2 | 172.7 | 172.5 | -102.5 | 0 | 0 | 0 | 112.2 | R108 L109 R114 Y115 R116 L231 F236 L239 L240 D243 Y306 | R108-Y112 PolarHBondContact O-N 3.49Å; L109-Y112 PolarHBondContact O-N 2.92Å; Y112-R114 VanDerWaalsContact C-N 3.27Å; Y112-R114 PolarHBondContact O-N 3.32Å; Y112-Y115 PolarHBondContact O-N 3.35Å; Y112-R116 HydrophobicContact CE2-CG 4.11Å; Y112-R116 WeakPolarHBondContact O-CB 3.26Å; Y112-R116 PolarHBondContact O-N 3.3Å; Y112-R116 WeakPolarHBondContact OH-CD 3.36Å; Y112-L231 HydrophobicContact CD2-CD2 4.41Å; Y112-F236 AromaticContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CE2 4.19Å; Y112-F236 HydrophobicContact CD2-CG 4.42Å; Y112-F236 AromaticContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CE2 4.01Å; Y112-F236 HydrophobicContact CE2-CG 4.31Å; Y112-F236 HydrophobicContact CE2-CZ 4.4Å; Y112-L239 HydrophobicContact CD1-CB 3.9Å; Y112-L239 HydrophobicContact CD1-CD1 4.09Å; Y112-L239 HydrophobicContact CD2-CB 3.74Å; Y112-L239 HydrophobicContact CD2-CD1 4Å; Y112-L239 HydrophobicContact CE1-CB 3.83Å; Y112-L239 HydrophobicContact CE2-CB 3.65Å; Y112-L239 HydrophobicContact CG-CB 3.86Å; Y112-L239 HydrophobicContact CG-CD1 3.61Å; Y112-L239 HydrophobicContact CG-CG 4.37Å; Y112-L240 WeakPolarHBondContact OH-CA 3.43Å; Y112-L240 PolarHBondContact OH-N 2.96Å; Y112-D243 WeakPolarHBondContact CE1-OD2 3.37Å; Y112-D243 PolarHBondContact OH-OD2 3.45Å; Y112-Y306 HydrophobicContact CE1-CE1 4.42Å |
| 113 | E | 86.8 | Confident | 85.4 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -28.5 | 179.6 | -69.9 | -170.1 | 136.7 | 0 | 0 | 112.8 | L109 R302 Y306 | L109-E113 PolarHBondContact O-N 3.21Å; E113-R302 IonicContact OE1-NH1 2.69Å; E113-R302 PolarHBondContact OE1-NH1 3.37Å; E113-Y306 HydrophobicContact CG-CE2 4.42Å |
| 114 | R | 89.7 | Confident | 85.7 | Confident | 140 Ų | 140 | 54.7 Ų | 54.7 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.3 | -43.7 | 175 | -172.7 | -170.5 | -55.7 | 131.1 | 11.4 | 112.9 | C110 N111 Y112 | C110-R114 WeakPolarHBondContact O-CB 3.48Å; C110-R114 PolarHBondContact O-N 3.07Å; N111-R114 PolarHBondContact O-N 3.06Å; N111-R114 PolarHBondContact OD1-NH1 3.01Å; N111-R114 PolarHBondContact OD1-NH2 2.93Å; Y112-R114 VanDerWaalsContact C-N 3.27Å; Y112-R114 PolarHBondContact O-N 3.32Å |
| 115 | Y | 91.1 | Very high | 86.1 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -102.9 | -3.3 | -170.9 | -58.4 | -63.2 | 0 | 0 | 0 | 114.1 | N111 Y112 C117 L118 I119 F229 L231 | N111-Y115 HydrophobicContact CB-CD2 4.34Å; N111-Y115 HydrophobicContact CB-CE2 4.42Å; N111-Y115 WeakPolarHBondContact O-CD2 3.46Å; N111-Y115 PolarHBondContact O-N 3.31Å; Y112-Y115 PolarHBondContact O-N 3.35Å; Y115-C117 PolarHBondContact O-N 2.9Å; Y115-L118 HydrophobicContact CD1-CD1 4.18Å; Y115-L118 PolarHBondContact O-N 3.05Å; Y115-I119 WeakPolarHBondContact O-CG1 3.14Å; Y115-I119 PolarHBondContact O-N 3.12Å; Y115-F229 HydrophobicContact CD1-CB 3.98Å; Y115-F229 AromaticContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CG 4.12Å; Y115-F229 HydrophobicContact CD2-CB 3.95Å; Y115-F229 WeakPolarHBondContact CD2-O 3.29Å; Y115-F229 HydrophobicContact CE1-CB 4.44Å; Y115-F229 HydrophobicContact CE1-CD1 4.13Å; Y115-F229 HydrophobicContact CE2-CB 4.36Å; Y115-F229 WeakPolarHBondContact CE2-O 3.22Å; Y115-F229 HydrophobicContact CG-CB 3.73Å; Y115-F229 HydrophobicContact CG-CD1 4.23Å; Y115-F229 HydrophobicContact CG-CG 4.2Å; Y115-L231 HydrophobicContact CD2-CD1 3.65Å; Y115-L231 HydrophobicContact CG-CD1 4.29Å |
| 116 | R | 88.8 | Confident | 86.6 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 15% | 0.151 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -45.7 | -55.6 | -175.4 | -159.8 | 178.8 | 80 | 141 | 14.9 | 113.5 | Y112 H120 E208 F236 D243 | Y112-R116 HydrophobicContact CE2-CG 4.11Å; Y112-R116 WeakPolarHBondContact O-CB 3.26Å; Y112-R116 PolarHBondContact O-N 3.3Å; Y112-R116 WeakPolarHBondContact OH-CD 3.36Å; R116-H120 PolarHBondContact O-CD2 2.74Å; R116-H120 PolarHBondContact O-N 3.06Å; R116-H120 VanDerWaalsContact O-N 3.15Å; R116-E208 IonicContact CZ-OE1 2.73Å; R116-E208 VanDerWaalsContact CZ-OE1 3.3Å; R116-E208 IonicContact NH1-OE1 2.76Å; R116-E208 PolarHBondContact NH1-OE1 3.17Å; R116-E208 IonicContact NH2-OE1 2.62Å; R116-E208 PolarHBondContact NH2-OE1 2.65Å; R116-F236 HydrophobicContact CG-CE2 4.42Å; R116-F236 HydrophobicContact CG-CZ 4.38Å; R116-D243 IonicContact CZ-OD2 4Å; R116-D243 IonicContact NH1-OD2 3.27Å; R116-D243 PolarHBondContact NH1-OD2 2.93Å |
| 117 | C | 86.7 | Confident | 87 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.1 | -29.9 | -176.9 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | Y115 H120 N121 | Y115-C117 PolarHBondContact O-N 2.9Å; C117-H120 PolarHBondContact O-N 2.9Å; C117-N121 WeakPolarHBondContact O-CB 3.3Å; C117-N121 PolarHBondContact O-N 2.91Å; C117-N121 PolarHBondContact O-OD1 3.49Å |
| 118 | L | 88.7 | Confident | 87.3 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 45% | 0.445 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 176.7 | -64.4 | 175.4 | 0 | 0 | 0 | 111.4 | Y115 N121 E122 F229 | Y115-L118 HydrophobicContact CD1-CD1 4.18Å; Y115-L118 PolarHBondContact O-N 3.05Å; L118-N121 PolarHBondContact O-N 2.8Å; L118-E122 PolarHBondContact O-N 2.97Å; L118-F229 HydrophobicContact CB-CE1 3.93Å; L118-F229 HydrophobicContact CB-CZ 3.91Å; L118-F229 HydrophobicContact CD1-CE1 4.29Å |
| 119 | I | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 174.6 | -66.7 | 161.1 | 0 | 0 | 0 | 111.2 | Y115 Y123 L222 A226 F229 L231 F236 | Y115-I119 WeakPolarHBondContact O-CG1 3.14Å; Y115-I119 PolarHBondContact O-N 3.12Å; I119-Y123 VanDerWaalsContact O-CB 3.3Å; I119-Y123 WeakPolarHBondContact O-CB 3.32Å; I119-Y123 PolarHBondContact O-N 3.28Å; I119-Y123 VanDerWaalsContact O-N 3.1Å; I119-L222 HydrophobicContact CG2-CG 4.42Å; I119-A226 HydrophobicContact CD1-CB 4.16Å; I119-A226 HydrophobicContact CG2-CB 4.35Å; I119-F229 HydrophobicContact CD1-CB 4.41Å; I119-F229 HydrophobicContact CD1-CD2 4.04Å; I119-F229 HydrophobicContact CD1-CG 4.49Å; I119-F229 HydrophobicContact CG1-CD2 3.32Å; I119-F229 HydrophobicContact CG1-CE2 3.68Å; I119-F229 HydrophobicContact CG1-CG 4.12Å; I119-L231 HydrophobicContact CD1-CD1 3.97Å; I119-L231 HydrophobicContact CD1-CD2 4Å; I119-F236 HydrophobicContact CB-CD2 4.29Å; I119-F236 HydrophobicContact CB-CE2 3.6Å; I119-F236 HydrophobicContact CB-CZ 3.94Å; I119-F236 HydrophobicContact CD1-CD2 3.48Å; I119-F236 VanDerWaalsContact CD1-CD2 3.48Å; I119-F236 HydrophobicContact CD1-CE2 3.49Å; I119-F236 VanDerWaalsContact CD1-CE2 3.49Å; I119-F236 HydrophobicContact CG1-CD2 4.45Å; I119-F236 HydrophobicContact CG1-CE2 4.12Å; I119-F236 HydrophobicContact CG2-CD1 4.47Å; I119-F236 HydrophobicContact CG2-CD2 3.95Å; I119-F236 HydrophobicContact CG2-CE1 4.08Å; I119-F236 HydrophobicContact CG2-CE2 3.51Å; I119-F236 HydrophobicContact CG2-CG 4.4Å; I119-F236 HydrophobicContact CG2-CZ 3.59Å |
| 120 | H | 87.4 | Confident | 87.7 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.069 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 170.5 | -76.2 | -162.7 | 0 | 0 | 0 | 111.5 | R116 C117 Y123 A124 L209 F236 | R116-H120 PolarHBondContact O-CD2 2.74Å; R116-H120 PolarHBondContact O-N 3.06Å; R116-H120 VanDerWaalsContact O-N 3.15Å; C117-H120 PolarHBondContact O-N 2.9Å; H120-Y123 PolarHBondContact O-N 2.85Å; H120-A124 VanDerWaalsContact O-CB 3.25Å; H120-A124 WeakPolarHBondContact O-CB 3.24Å; H120-A124 PolarHBondContact O-N 3.45Å; H120-L209 HydrophobicContact CB-CD1 4.31Å; H120-F236 AromaticContact CD2-CZ 3.58Å; H120-F236 AromaticContact NE2-CE1 3.98Å; H120-F236 AromaticContact NE2-CZ 3.67Å |
| 121 | N | 87.9 | Confident | 87.7 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | -178.4 | -71.4 | 2.7 | 0 | 0 | 0 | 112.1 | C117 L118 A124 S125 V126 I205 | C117-N121 WeakPolarHBondContact O-CB 3.3Å; C117-N121 PolarHBondContact O-N 2.91Å; C117-N121 PolarHBondContact O-OD1 3.49Å; L118-N121 PolarHBondContact O-N 2.8Å; N121-A124 CarbonylContact O-C 3.27Å; N121-A124 PolarHBondContact O-N 2.91Å; N121-S125 PolarHBondContact O-N 2.83Å; N121-V126 HydrophobicContact CB-CB 4.07Å; N121-V126 HydrophobicContact CB-CG1 4.46Å; N121-V126 PolarHBondContact O-N 2.92Å; N121-I205 WeakPolarHBondContact OD1-CG2 3.37Å |
| 122 | E | 88.4 | Confident | 87.7 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 174.4 | -170 | -171.9 | 137.3 | 0 | 0 | 111 | L118 A124 S125 S225 F229 | L118-E122 PolarHBondContact O-N 2.97Å; E122-A124 VanDerWaalsContact C-N 3.31Å; E122-A124 PolarHBondContact O-N 2.96Å; E122-S125 PolarHBondContact O-N 2.91Å; E122-S125 VanDerWaalsContact O-N 3.11Å; E122-S225 WeakPolarHBondContact OE1-CB 3.41Å; E122-F229 WeakPolarHBondContact OE2-CE2 3.28Å |
| 123 | Y | 86.2 | Confident | 87.5 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 29% | 0.29 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -34.6 | 177.6 | 176.4 | -97.2 | 0 | 0 | 0 | 112.9 | I119 H120 S125 L209 A218 Q221 L222 | I119-Y123 VanDerWaalsContact O-CB 3.3Å; I119-Y123 WeakPolarHBondContact O-CB 3.32Å; I119-Y123 PolarHBondContact O-N 3.28Å; I119-Y123 VanDerWaalsContact O-N 3.1Å; H120-Y123 PolarHBondContact O-N 2.85Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-L209 HydrophobicContact CD1-CD1 3.65Å; Y123-L209 HydrophobicContact CD1-CD2 4.37Å; Y123-L209 HydrophobicContact CE1-CD1 4.23Å; Y123-L209 HydrophobicContact CE1-CD2 4.41Å; Y123-L209 HydrophobicContact CG-CD1 4.47Å; Y123-A218 HydrophobicContact CE2-CB 4.23Å; Y123-A218 WeakPolarHBondContact OH-CB 3.23Å; Y123-Q221 HydrophobicContact CD2-CB 4.5Å; Y123-Q221 HydrophobicContact CE2-CB 4.32Å; Y123-L222 HydrophobicContact CD1-CD1 4.43Å; Y123-L222 HydrophobicContact CD2-CB 3.88Å; Y123-L222 HydrophobicContact CE2-CB 4.33Å; Y123-L222 HydrophobicContact CG-CB 4.31Å; Y123-L222 HydrophobicContact CG-CD1 4.28Å |
| 124 | A | 85.8 | Confident | 87.3 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 34% | 0.339 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H120 N121 E122 V126 | H120-A124 VanDerWaalsContact O-CB 3.25Å; H120-A124 WeakPolarHBondContact O-CB 3.24Å; H120-A124 PolarHBondContact O-N 3.45Å; N121-A124 CarbonylContact O-C 3.27Å; N121-A124 PolarHBondContact O-N 2.91Å; E122-A124 VanDerWaalsContact C-N 3.31Å; E122-A124 PolarHBondContact O-N 2.96Å; A124-V126 HydrophobicContact CB-CG2 3.91Å; A124-V126 PolarHBondContact O-N 2.74Å |
| 125 | S | 85.6 | Confident | 86.9 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 72% | 0.72 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 21.6 | -173.6 | 65 | 0 | 0 | 0 | 0 | 115.6 | N121 E122 Y123 T127 | N121-S125 PolarHBondContact O-N 2.83Å; E122-S125 PolarHBondContact O-N 2.91Å; E122-S125 VanDerWaalsContact O-N 3.11Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; S125-T127 PolarHBondContact O-N 3.47Å |
| 126 | V | 85.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | trans | -73.3 | 111.9 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | N121 A124 M130 A131 M203 I205 | N121-V126 HydrophobicContact CB-CB 4.07Å; N121-V126 HydrophobicContact CB-CG1 4.46Å; N121-V126 PolarHBondContact O-N 2.92Å; A124-V126 HydrophobicContact CB-CG2 3.91Å; A124-V126 PolarHBondContact O-N 2.74Å; V126-M130 HydrophobicContact CG1-CB 4.18Å; V126-A131 HydrophobicContact CG1-CB 4.29Å; V126-M203 HydrophobicContact CG2-CE 4.26Å; V126-I205 HydrophobicContact CG1-CD1 3.99Å; V126-I205 HydrophobicContact CG1-CG2 4.33Å | ||
| 127 | T | 88.6 | Confident | 86 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | trans | -67.4 | 152 | 176.8 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | S125 A129 M130 A131 | S125-T127 PolarHBondContact O-N 3.47Å; T127-A129 PolarHBondContact O-N 3.03Å; T127-M130 HydrophobicContact CG2-SD 4.17Å; T127-M130 WeakPolarHBondContact O-CB 3.4Å; T127-M130 PolarHBondContact O-N 3.05Å; T127-M130 VanDerWaalsContact OG1-CG 3.27Å; T127-M130 WeakPolarHBondContact OG1-CG 3.16Å; T127-M130 PolarHBondContact OG1-N 2.71Å; T127-M130 PolarHBondContact OG1-SD 2.85Å; T127-A131 PolarHBondContact O-N 3.07Å | ||
| 128 | E | 87.4 | Confident | 85.6 | Confident | 155 Ų | 155 | 69.3 Ų | 69.3 | 72% | 0.724 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55 | -38.5 | 174.5 | -173.9 | -177.3 | -168.1 | 0 | 0 | 111.7 | M130 A131 L132 | E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 3.06Å; E128-A131 PolarHBondContact O-N 3.11Å; E128-L132 HydrophobicContact CG-CD1 3.88Å; E128-L132 HydrophobicContact CG-CG 4.23Å; E128-L132 WeakPolarHBondContact O-CB 3.31Å; E128-L132 VanDerWaalsContact O-CG 3.3Å; E128-L132 WeakPolarHBondContact O-CG 3.35Å; E128-L132 PolarHBondContact O-N 3.3Å |
| 129 | A | 88 | Confident | 85 | Confident | 72 Ų | 72 | 71 Ų | 71 | 60% | 0.595 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.6 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T127 K133 | T127-A129 PolarHBondContact O-N 3.03Å; A129-K133 WeakPolarHBondContact O-CB 3.47Å; A129-K133 PolarHBondContact O-N 2.74Å |
| 130 | M | 87.6 | Confident | 84.2 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -69.5 | -45.7 | 173.5 | -73 | 159.2 | 162.5 | 0 | 0 | 111.3 | V126 T127 E128 L132 K133 Q134 | V126-M130 HydrophobicContact CG1-CB 4.18Å; T127-M130 HydrophobicContact CG2-SD 4.17Å; T127-M130 WeakPolarHBondContact O-CB 3.4Å; T127-M130 PolarHBondContact O-N 3.05Å; T127-M130 VanDerWaalsContact OG1-CG 3.27Å; T127-M130 WeakPolarHBondContact OG1-CG 3.16Å; T127-M130 PolarHBondContact OG1-N 2.71Å; T127-M130 PolarHBondContact OG1-SD 2.85Å; E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 3.06Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.73Å; M130-K133 PolarHBondContact O-N 2.79Å; M130-Q134 PolarHBondContact O-N 2.97Å |
| 131 | A | 85.5 | Confident | 83.6 | Confident | 13 Ų | 13 | 80.6 Ų | 80.6 | 11% | 0.107 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V126 T127 E128 Q134 I135 | V126-A131 HydrophobicContact CG1-CB 4.29Å; T127-A131 PolarHBondContact O-N 3.07Å; E128-A131 PolarHBondContact O-N 3.11Å; A131-Q134 PolarHBondContact O-N 3.32Å; A131-I135 VanDerWaalsContact O-CG1 3.29Å; A131-I135 WeakPolarHBondContact O-CG1 3.3Å; A131-I135 PolarHBondContact O-N 2.88Å |
| 132 | L | 86.2 | Confident | 82.6 | Confident | 99 Ų | 99 | 79.5 Ų | 79.5 | 52% | 0.518 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 175.4 | -68.5 | 174.5 | 0 | 0 | 0 | 112.8 | E128 M130 Q134 E136 | E128-L132 HydrophobicContact CG-CD1 3.88Å; E128-L132 HydrophobicContact CG-CG 4.23Å; E128-L132 WeakPolarHBondContact O-CB 3.31Å; E128-L132 VanDerWaalsContact O-CG 3.3Å; E128-L132 WeakPolarHBondContact O-CG 3.35Å; E128-L132 PolarHBondContact O-N 3.3Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.73Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-E136 WeakPolarHBondContact O-CB 3.37Å; L132-E136 PolarHBondContact O-N 3.43Å |
| 133 | K | 85.8 | Confident | 81.5 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 169.9 | -174.8 | -161.9 | 171.9 | -161.2 | 0 | 109.9 | A129 M130 E136 M137 D200 | A129-K133 WeakPolarHBondContact O-CB 3.47Å; A129-K133 PolarHBondContact O-N 2.74Å; M130-K133 PolarHBondContact O-N 2.79Å; K133-E136 PolarHBondContact O-N 2.88Å; K133-M137 WeakPolarHBondContact O-CG 3.38Å; K133-M137 PolarHBondContact O-N 2.81Å; K133-D200 IonicContact NZ-OD1 3.92Å; K133-D200 PolarHBondContact NZ-OD1 3.2Å; K133-D200 IonicContact NZ-OD2 3.44Å |
| 134 | Q | 82.3 | Confident | 80.1 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | -179.1 | -175.3 | 56.1 | 36.2 | 0 | 0 | 111.8 | M130 A131 L132 E136 M137 D138 I205 | M130-Q134 PolarHBondContact O-N 2.97Å; A131-Q134 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-E136 VanDerWaalsContact C-N 3.27Å; Q134-E136 PolarHBondContact O-N 3.29Å; Q134-M137 CarbonylContact O-C 3.54Å; Q134-M137 WeakPolarHBondContact O-CA 3.29Å; Q134-M137 WeakPolarHBondContact O-CB 3.5Å; Q134-M137 PolarHBondContact O-N 3.39Å; Q134-D138 PolarHBondContact NE2-OD2 3.43Å; Q134-D138 PolarHBondContact O-N 3.39Å; Q134-I205 HydrophobicContact CB-CD1 3.56Å; Q134-I205 HydrophobicContact CB-CG1 4.48Å; Q134-I205 HydrophobicContact CG-CD1 3.84Å; Q134-I205 HydrophobicContact CG-CG1 4.24Å |
| 135 | I | 82 | Confident | 78.9 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.7 | -42.1 | 175.1 | -68.5 | 163.1 | 0 | 0 | 0 | 110.9 | A131 M137 D138 E139 | A131-I135 VanDerWaalsContact O-CG1 3.29Å; A131-I135 WeakPolarHBondContact O-CG1 3.3Å; A131-I135 PolarHBondContact O-N 2.88Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.41Å; I135-D138 PolarHBondContact O-N 2.92Å; I135-E139 HydrophobicContact CG2-CG 4.5Å; I135-E139 WeakPolarHBondContact O-CB 3.3Å; I135-E139 WeakPolarHBondContact O-CG 3.3Å; I135-E139 PolarHBondContact O-N 3.3Å |
| 136 | E | 82.2 | Confident | 77.9 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 175.5 | 175.9 | 166.9 | -108.1 | 0 | 0 | 112.9 | R42 L132 K133 Q134 K140 | R42-E136 IonicContact CZ-OE1 2.89Å; R42-E136 IonicContact NH1-OE1 2.77Å; R42-E136 PolarHBondContact NH1-OE1 3.1Å; R42-E136 IonicContact NH2-OE1 3.57Å; R42-E136 PolarHBondContact NH2-OE1 2.77Å; L132-E136 WeakPolarHBondContact O-CB 3.37Å; L132-E136 PolarHBondContact O-N 3.43Å; K133-E136 PolarHBondContact O-N 2.88Å; Q134-E136 VanDerWaalsContact C-N 3.27Å; Q134-E136 PolarHBondContact O-N 3.29Å; E136-K140 HydrophobicContact CG-CD 3.89Å; E136-K140 HydrophobicContact CG-CG 4.44Å; E136-K140 VanDerWaalsContact CG-NZ 3.27Å; E136-K140 WeakPolarHBondContact O-CB 3.41Å; E136-K140 WeakPolarHBondContact O-CD 3.45Å; E136-K140 WeakPolarHBondContact O-CG 3.38Å; E136-K140 PolarHBondContact O-N 3.39Å; E136-K140 VanDerWaalsContact O-N 3.09Å; E136-K140 IonicContact OE1-NZ 3.74Å; E136-K140 PolarHBondContact OE1-NZ 3.13Å; E136-K140 IonicContact OE2-NZ 3.61Å; E136-K140 PolarHBondContact OE2-NZ 3.46Å |
| 137 | M | 78.7 | Confident | 76.7 | Confident | 69 Ų | 69 | 85.1 Ų | 85.1 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 173.5 | -69.8 | -62.1 | -73.1 | 0 | 0 | 111.6 | K133 Q134 I135 K140 Y141 G142 | K133-M137 WeakPolarHBondContact O-CG 3.38Å; K133-M137 PolarHBondContact O-N 2.81Å; Q134-M137 CarbonylContact O-C 3.54Å; Q134-M137 WeakPolarHBondContact O-CA 3.29Å; Q134-M137 WeakPolarHBondContact O-CB 3.5Å; Q134-M137 PolarHBondContact O-N 3.39Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.41Å; M137-K140 PolarHBondContact O-N 3.33Å; M137-Y141 HydrophobicContact CE-CD2 3.58Å; M137-Y141 HydrophobicContact CE-CE2 3.78Å; M137-Y141 WeakPolarHBondContact O-CA 3.23Å; M137-Y141 WeakPolarHBondContact O-CB 3.49Å; M137-Y141 PolarHBondContact O-N 2.82Å; M137-Y141 HydrophobicContact SD-CD2 3.78Å; M137-Y141 HydrophobicContact SD-CE2 3.72Å; M137-G142 PolarHBondContact O-N 3.35Å |
| 138 | D | 78.3 | Confident | 75.5 | Confident | 73 Ų | 73 | 88 Ų | 88 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 176 | -78.5 | -52.4 | 0 | 0 | 0 | 112.8 | Q134 I135 G142 | Q134-D138 PolarHBondContact NE2-OD2 3.43Å; Q134-D138 PolarHBondContact O-N 3.39Å; I135-D138 PolarHBondContact O-N 2.92Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.27Å; D138-G142 PolarHBondContact O-N 3.26Å |
| 139 | E | 75.3 | Confident | 74.5 | Confident | 121 Ų | 121 | 87 Ų | 87 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 171.2 | -78.8 | -174.3 | 166.9 | 0 | 0 | 112.2 | R42 I135 | R42-E139 IonicContact CZ-OE2 3.85Å; R42-E139 IonicContact NE-OE2 2.94Å; R42-E139 PolarHBondContact NE-OE2 2.97Å; R42-E139 IonicContact NH2-OE2 3.9Å; R42-E139 PolarHBondContact NH2-OE2 2.74Å; I135-E139 HydrophobicContact CG2-CG 4.5Å; I135-E139 WeakPolarHBondContact O-CB 3.3Å; I135-E139 WeakPolarHBondContact O-CG 3.3Å; I135-E139 PolarHBondContact O-N 3.3Å |
| 140 | K | 72.5 | Confident | 73.4 | Confident | 100 Ų | 100 | 89.7 Ų | 89.7 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -77.5 | -39 | -177.3 | -72.2 | 169.3 | -176.4 | 166.8 | 0 | 113.3 | E136 M137 | E136-K140 HydrophobicContact CG-CD 3.89Å; E136-K140 HydrophobicContact CG-CG 4.44Å; E136-K140 VanDerWaalsContact CG-NZ 3.27Å; E136-K140 WeakPolarHBondContact O-CB 3.41Å; E136-K140 WeakPolarHBondContact O-CD 3.45Å; E136-K140 WeakPolarHBondContact O-CG 3.38Å; E136-K140 PolarHBondContact O-N 3.39Å; E136-K140 VanDerWaalsContact O-N 3.09Å; E136-K140 IonicContact OE1-NZ 3.74Å; E136-K140 PolarHBondContact OE1-NZ 3.13Å; E136-K140 IonicContact OE2-NZ 3.61Å; E136-K140 PolarHBondContact OE2-NZ 3.46Å; M137-K140 PolarHBondContact O-N 3.33Å |
| 141 | Y | 74.6 | Confident | 72.4 | Confident | 117 Ų | 117 | 90.6 Ų | 90.6 | 46% | 0.459 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -134.2 | -8.8 | -162.9 | -52.9 | -68 | 0 | 0 | 0 | 114.2 | M137 D143 M144 E145 | M137-Y141 HydrophobicContact CE-CD2 3.58Å; M137-Y141 HydrophobicContact CE-CE2 3.78Å; M137-Y141 WeakPolarHBondContact O-CA 3.23Å; M137-Y141 WeakPolarHBondContact O-CB 3.49Å; M137-Y141 PolarHBondContact O-N 2.82Å; M137-Y141 HydrophobicContact SD-CD2 3.78Å; M137-Y141 HydrophobicContact SD-CE2 3.72Å; Y141-D143 PolarHBondContact O-N 3.21Å; Y141-M144 VanDerWaalsContact O-CA 3.3Å; Y141-M144 WeakPolarHBondContact O-CA 3.45Å; Y141-M144 VanDerWaalsContact O-CB 3.24Å; Y141-M144 WeakPolarHBondContact O-CB 3.46Å; Y141-M144 PolarHBondContact O-N 3.28Å; Y141-E145 PolarHBondContact O-N 2.84Å |
| 142 | G | 67.9 | Low | 71.6 | Confident | 3 Ų | 3 | 94.3 Ų | 94.3 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.2 | -17.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | M137 D138 K146 | M137-G142 PolarHBondContact O-N 3.35Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.27Å; D138-G142 PolarHBondContact O-N 3.26Å; G142-K146 WeakPolarHBondContact O-CD 3.29Å; G142-K146 VanDerWaalsContact O-CG 3.23Å; G142-K146 WeakPolarHBondContact O-CG 3.48Å; G142-K146 PolarHBondContact O-NZ 3.45Å |
| 143 | D | 64.2 | Low | 70.9 | Confident | 52 Ų | 52 | 94.8 Ų | 94.8 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -83.9 | -17.4 | 168.1 | -94.9 | 24.2 | 0 | 0 | 0 | 112.6 | Q35 K39 Y141 R147 | Q35-D143 PolarHBondContact NE2-OD2 2.86Å; K39-D143 IonicContact NZ-OD1 3.64Å; K39-D143 PolarHBondContact NZ-OD1 3.31Å; K39-D143 IonicContact NZ-OD2 3.23Å; K39-D143 PolarHBondContact NZ-OD2 3.42Å; Y141-D143 PolarHBondContact O-N 3.21Å; D143-R147 WeakPolarHBondContact O-CG 3.22Å; D143-R147 PolarHBondContact O-N 3.35Å |
| 144 | M | 57.9 | Low | 70.2 | Confident | 118 Ų | 118 | 91.8 Ų | 91.8 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -82.2 | -44.3 | 171 | -65.6 | -64 | -64.5 | 0 | 0 | 111.2 | Y141 K146 R147 R148 | Y141-M144 VanDerWaalsContact O-CA 3.3Å; Y141-M144 WeakPolarHBondContact O-CA 3.45Å; Y141-M144 VanDerWaalsContact O-CB 3.24Å; Y141-M144 WeakPolarHBondContact O-CB 3.46Å; Y141-M144 PolarHBondContact O-N 3.28Å; M144-K146 VanDerWaalsContact C-N 3.27Å; M144-K146 PolarHBondContact O-N 3.09Å; M144-R147 CarbonylContact O-C 3.49Å; M144-R147 WeakPolarHBondContact O-CA 3.4Å; M144-R147 WeakPolarHBondContact O-CB 3.41Å; M144-R147 PolarHBondContact O-N 3.42Å; M144-R148 PolarHBondContact O-N 2.87Å |
| 145 | E | 60.8 | Low | 69.8 | Low | 86 Ų | 86 | 92.5 Ų | 92.5 | 40% | 0.402 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.1 | -41.3 | 173.9 | -114.8 | 47.9 | -114.1 | 0 | 0 | 111.9 | Y141 R147 R148 K149 | Y141-E145 PolarHBondContact O-N 2.84Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.49Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 3.07Å; E145-R148 IonicContact OE1-CZ 2.83Å; E145-R148 IonicContact OE1-NE 3.76Å; E145-R148 IonicContact OE1-NH1 3.34Å; E145-R148 PolarHBondContact OE1-NH1 3.15Å; E145-K149 WeakPolarHBondContact O-CB 3.28Å; E145-K149 PolarHBondContact O-N 3.47Å |
| 146 | K | 63.9 | Low | 69.2 | Low | 122 Ų | 122 | 90.5 Ų | 90.5 | 53% | 0.53 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 173.9 | -68.9 | 172.7 | -172.4 | 85.7 | 0 | 112.2 | G142 M144 E150 | G142-K146 WeakPolarHBondContact O-CD 3.29Å; G142-K146 VanDerWaalsContact O-CG 3.23Å; G142-K146 WeakPolarHBondContact O-CG 3.48Å; G142-K146 PolarHBondContact O-NZ 3.45Å; M144-K146 VanDerWaalsContact C-N 3.27Å; M144-K146 PolarHBondContact O-N 3.09Å; K146-E150 WeakPolarHBondContact O-CB 3.27Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.38Å |
| 147 | R | 60.3 | Low | 68.3 | Low | 73 Ų | 73 | 92.6 Ų | 92.6 | 28% | 0.275 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 171.7 | -76.3 | 175.5 | 175.2 | -83.5 | -10.3 | 112 | E31 D143 M144 E145 E150 E151 | E31-R147 IonicContact OE2-CZ 3.37Å; E31-R147 IonicContact OE2-NH1 3.51Å; E31-R147 PolarHBondContact OE2-NH1 2.67Å; E31-R147 IonicContact OE2-NH2 2.68Å; E31-R147 PolarHBondContact OE2-NH2 3.2Å; D143-R147 WeakPolarHBondContact O-CG 3.22Å; D143-R147 PolarHBondContact O-N 3.35Å; M144-R147 CarbonylContact O-C 3.49Å; M144-R147 WeakPolarHBondContact O-CA 3.4Å; M144-R147 WeakPolarHBondContact O-CB 3.41Å; M144-R147 PolarHBondContact O-N 3.42Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.49Å; R147-E150 PolarHBondContact O-N 3.06Å; R147-E151 WeakPolarHBondContact O-CB 3.38Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 3.25Å |
| 148 | R | 63.7 | Low | 67.4 | Low | 132 Ų | 132 | 95.5 Ų | 95.5 | 50% | 0.498 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.2 | -51.8 | 178 | -148.5 | -171.3 | 92.1 | -162.6 | 15.1 | 110.4 | M144 E145 E150 E151 E152 | M144-R148 PolarHBondContact O-N 2.87Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 3.07Å; E145-R148 IonicContact OE1-CZ 2.83Å; E145-R148 IonicContact OE1-NE 3.76Å; E145-R148 IonicContact OE1-NH1 3.34Å; E145-R148 PolarHBondContact OE1-NH1 3.15Å; R148-E150 PolarHBondContact O-N 2.72Å; R148-E151 CarbonylContact O-C 3.58Å; R148-E151 PolarHBondContact O-N 2.98Å; R148-E151 VanDerWaalsContact O-N 3.1Å; R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 2.71Å; R148-E152 IonicContact NE-OE1 3.49Å; R148-E152 PolarHBondContact NE-OE1 3.39Å; R148-E152 IonicContact NH2-OE1 3.06Å; R148-E152 WeakPolarHBondContact O-CB 3.4Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.49Å; R148-E152 PolarHBondContact O-N 3.18Å |
| 149 | K | 66.7 | Low | 66.4 | Low | 134 Ų | 134 | 94.4 Ų | 94.4 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63 | -39 | 177.7 | -144.5 | 158.2 | -171.4 | 161.6 | 0 | 112.1 | E145 E153 | E145-K149 WeakPolarHBondContact O-CB 3.28Å; E145-K149 PolarHBondContact O-N 3.47Å; K149-E153 WeakPolarHBondContact O-CB 3.24Å; K149-E153 WeakPolarHBondContact O-CG 3.39Å; K149-E153 PolarHBondContact O-N 2.91Å |
| 150 | E | 65.2 | Low | 65.5 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 171.1 | -84.1 | -168.3 | -159 | 0 | 0 | 113.1 | K146 R147 R148 A154 | K146-E150 WeakPolarHBondContact O-CB 3.27Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.38Å; R147-E150 PolarHBondContact O-N 3.06Å; R148-E150 PolarHBondContact O-N 2.72Å; E150-A154 WeakPolarHBondContact O-CB 3.3Å; E150-A154 PolarHBondContact O-N 3.49Å |
| 151 | E | 65.7 | Low | 64.7 | Low | 131 Ų | 131 | 98.2 Ų | 98.2 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -76.3 | -37 | 179.3 | -74.6 | -173.7 | -165.5 | 0 | 0 | 112.5 | R147 R148 A154 T155 | R147-E151 WeakPolarHBondContact O-CB 3.38Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 3.25Å; R148-E151 CarbonylContact O-C 3.58Å; R148-E151 PolarHBondContact O-N 2.98Å; R148-E151 VanDerWaalsContact O-N 3.1Å; E151-A154 CarbonylContact O-C 3.52Å; E151-A154 PolarHBondContact O-N 3.13Å; E151-T155 WeakPolarHBondContact O-CB 3.18Å; E151-T155 WeakPolarHBondContact O-CG2 3.35Å; E151-T155 PolarHBondContact O-N 2.82Å; E151-T155 PolarHBondContact O-OG1 3.34Å |
| 152 | E | 69.6 | Low | 63.7 | Low | 91 Ų | 91 | 96.8 Ų | 96.8 | 43% | 0.425 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 168.2 | -73.6 | 167.9 | -163.8 | 0 | 0 | 110.6 | R148 A154 T155 A156 | R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 2.71Å; R148-E152 IonicContact NE-OE1 3.49Å; R148-E152 PolarHBondContact NE-OE1 3.39Å; R148-E152 IonicContact NH2-OE1 3.06Å; R148-E152 WeakPolarHBondContact O-CB 3.4Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.49Å; R148-E152 PolarHBondContact O-N 3.18Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 3.29Å; E152-T155 WeakPolarHBondContact CA-OG1 3.36Å; E152-T155 PolarHBondContact O-N 3.09Å; E152-T155 PolarHBondContact O-OG1 3.47Å; E152-A156 VanDerWaalsContact O-CB 3.3Å; E152-A156 WeakPolarHBondContact O-CB 3.43Å; E152-A156 PolarHBondContact O-N 3.29Å |
| 153 | E | 71.4 | Confident | 62.8 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 172.5 | -82 | -158.8 | 169.2 | 0 | 0 | 112.3 | K149 T155 K157 | K149-E153 WeakPolarHBondContact O-CB 3.24Å; K149-E153 WeakPolarHBondContact O-CG 3.39Å; K149-E153 PolarHBondContact O-N 2.91Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 2.98Å; E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 VanDerWaalsContact O-CB 3.27Å; E153-K157 WeakPolarHBondContact O-CB 3.33Å; E153-K157 VanDerWaalsContact O-CD 3.28Å; E153-K157 WeakPolarHBondContact O-CD 3.37Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.85Å; E153-K157 IonicContact OE1-NZ 3.79Å; E153-K157 IonicContact OE2-NZ 3.61Å; E153-K157 PolarHBondContact OE2-NZ 2.97Å |
| 154 | A | 71.7 | Confident | 62 | Low | 43 Ų | 43 | 107.2 Ų | 107.2 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.9 | -17 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E150 E151 E152 K158 | E150-A154 WeakPolarHBondContact O-CB 3.3Å; E150-A154 PolarHBondContact O-N 3.49Å; E151-A154 CarbonylContact O-C 3.52Å; E151-A154 PolarHBondContact O-N 3.13Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 3.29Å; A154-K158 VanDerWaalsContact O-CD 3.29Å; A154-K158 WeakPolarHBondContact O-CD 3.42Å; A154-K158 WeakPolarHBondContact O-CE 3.41Å; A154-K158 VanDerWaalsContact O-CG 3.22Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-NZ 3.49Å |
| 155 | T | 72.2 | Confident | 61.6 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -88.7 | -43.9 | 171.3 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | E151 E152 E153 K157 K158 A159 | E151-T155 WeakPolarHBondContact O-CB 3.18Å; E151-T155 WeakPolarHBondContact O-CG2 3.35Å; E151-T155 PolarHBondContact O-N 2.82Å; E151-T155 PolarHBondContact O-OG1 3.34Å; E152-T155 WeakPolarHBondContact CA-OG1 3.36Å; E152-T155 PolarHBondContact O-N 3.09Å; E152-T155 PolarHBondContact O-OG1 3.47Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 2.98Å; T155-K157 PolarHBondContact O-N 3.39Å; T155-K158 WeakPolarHBondContact O-CB 3.42Å; T155-K158 PolarHBondContact O-N 2.99Å; T155-A159 WeakPolarHBondContact O-CB 3.32Å; T155-A159 PolarHBondContact O-N 3.47Å |
| 156 | A | 70.7 | Confident | 61.1 | Low | 51 Ų | 51 | 108.7 Ų | 108.7 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.2 | -46.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E152 K158 A159 Q160 | E152-A156 VanDerWaalsContact O-CB 3.3Å; E152-A156 WeakPolarHBondContact O-CB 3.43Å; E152-A156 PolarHBondContact O-N 3.29Å; A156-K158 PolarHBondContact O-N 2.97Å; A156-A159 PolarHBondContact O-N 3.13Å; A156-Q160 PolarHBondContact O-N 2.76Å |
| 157 | K | 63.8 | Low | 60.8 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -37.2 | 177.7 | -69.9 | 163.2 | -168.2 | 174.4 | 0 | 112.4 | E153 T155 E161 | E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 VanDerWaalsContact O-CB 3.27Å; E153-K157 WeakPolarHBondContact O-CB 3.33Å; E153-K157 VanDerWaalsContact O-CD 3.28Å; E153-K157 WeakPolarHBondContact O-CD 3.37Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.85Å; E153-K157 IonicContact OE1-NZ 3.79Å; E153-K157 IonicContact OE2-NZ 3.61Å; E153-K157 PolarHBondContact OE2-NZ 2.97Å; T155-K157 PolarHBondContact O-N 3.39Å; K157-E161 PolarHBondContact O-N 2.74Å; K157-E161 VanDerWaalsContact O-N 3.17Å |
| 158 | K | 58.8 | Low | 60.5 | Low | 130 Ų | 130 | 110.9 Ų | 110.9 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -42.3 | 171.3 | -75.5 | 169.8 | -162.4 | 141.3 | 0 | 112.3 | A154 T155 A156 Q160 E161 S162 | A154-K158 VanDerWaalsContact O-CD 3.29Å; A154-K158 WeakPolarHBondContact O-CD 3.42Å; A154-K158 WeakPolarHBondContact O-CE 3.41Å; A154-K158 VanDerWaalsContact O-CG 3.22Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-NZ 3.49Å; T155-K158 WeakPolarHBondContact O-CB 3.42Å; T155-K158 PolarHBondContact O-N 2.99Å; A156-K158 PolarHBondContact O-N 2.97Å; K158-Q160 PolarHBondContact O-N 2.7Å; K158-E161 PolarHBondContact O-N 2.88Å; K158-E161 VanDerWaalsContact O-N 3.16Å; K158-S162 WeakPolarHBondContact O-CB 3.34Å; K158-S162 PolarHBondContact O-N 3.2Å; K158-S162 PolarHBondContact O-OG 3.4Å |
| 159 | A | 57.1 | Low | 60 | Low | 49 Ų | 49 | 110.9 Ų | 110.9 | 41% | 0.405 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.7 | -24.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | T155 A156 S162 | T155-A159 WeakPolarHBondContact O-CB 3.32Å; T155-A159 PolarHBondContact O-N 3.47Å; A156-A159 PolarHBondContact O-N 3.13Å; A159-S162 WeakPolarHBondContact CA-OG 3.27Å; A159-S162 PolarHBondContact O-OG 2.73Å |
| 160 | Q | 55.7 | Low | 59.8 | Low | 153 Ų | 153 | 113.8 Ų | 113.8 | 72% | 0.715 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.8 | -47 | 167.4 | -70.9 | -178.7 | -11.2 | 0 | 0 | 112 | A156 K158 S162 | A156-Q160 PolarHBondContact O-N 2.76Å; K158-Q160 PolarHBondContact O-N 2.7Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 2.74Å |
| 161 | E | 56.2 | Low | 59.2 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.3 | -30.3 | 176.4 | -74.3 | -168.9 | 134.9 | 0 | 0 | 113.3 | K157 K158 K163 | K157-E161 PolarHBondContact O-N 2.74Å; K157-E161 VanDerWaalsContact O-N 3.17Å; K158-E161 PolarHBondContact O-N 2.88Å; K158-E161 VanDerWaalsContact O-N 3.16Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 2.96Å |
| 162 | S | 54.3 | Low | 58.4 | Low | 86 Ų | 86 | 118.3 Ų | 118.3 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -0.1 | -174.7 | 67.3 | 0 | 0 | 0 | 0 | 115.5 | K158 A159 Q160 A164 | K158-S162 WeakPolarHBondContact O-CB 3.34Å; K158-S162 PolarHBondContact O-N 3.2Å; K158-S162 PolarHBondContact O-OG 3.4Å; A159-S162 WeakPolarHBondContact CA-OG 3.27Å; A159-S162 PolarHBondContact O-OG 2.73Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 2.74Å; S162-A164 VanDerWaalsContact C-N 3.31Å |
| 163 | K | 49.3 | Very low | 57.3 | Low | 181 Ų | 181 | 119.3 Ų | 119.3 | 79% | 0.787 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -5 | 178.1 | -73.6 | -178.6 | 179.6 | -172.1 | 0 | 114.2 | E161 A165 | E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 2.96Å; K163-A165 PolarHBondContact O-N 2.89Å; K163-A165 VanDerWaalsContact O-N 3.09Å |
| 164 | A | 46.4 | Very low | 55.6 | Low | 93 Ų | 93 | 120.5 Ų | 120.5 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -84.1 | 48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S162 | S162-A164 VanDerWaalsContact C-N 3.31Š| ||
| 165 | A | 49.6 | Very low | 54 | Low | 87 Ų | 87 | 124.7 Ų | 124.7 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | trans | -89.3 | 114.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K163 G167 | K163-A165 PolarHBondContact O-N 2.89Å; K163-A165 VanDerWaalsContact O-N 3.09Å; A165-G167 PolarHBondContact O-N 2.89Å | ||
| 166 | I | 51.7 | Low | 52.4 | Low | 148 Ų | 148 | 130.4 Ų | 130.4 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | trans | -77.3 | 93.2 | 177.9 | -56.8 | 175 | 0 | 0 | 0 | 108.8 | F168 | I166-F168 HydrophobicContact CG2-CD2 3.96Å; I166-F168 HydrophobicContact CG2-CE2 3.76Å; I166-F168 PolarHBondContact O-N 2.67Å | ||
| 167 | G | 57.5 | Low | 51.1 | Low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -75.2 | 104.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | A165 | A165-G167 PolarHBondContact O-N 2.89Š| ||
| 168 | F | 52.9 | Low | 50 | Low | 174 Ų | 174 | 137.2 Ų | 137.2 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -78 | 120.2 | 161.1 | -81.9 | -93.2 | 0 | 0 | 0 | 108.6 | I166 | I166-F168 HydrophobicContact CG2-CD2 3.96Å; I166-F168 HydrophobicContact CG2-CE2 3.76Å; I166-F168 PolarHBondContact O-N 2.67Å |
| 169 | V | 53.1 | Low | 49 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 137.5 | 164.6 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | ||
| 170 | Y | 63.7 | Low | 48.3 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 132.1 | 171.4 | -71.8 | -97.2 | 0 | 0 | 0 | 107.9 | D172 | Y170-D172 VanDerWaalsContact C-N 3.29Å; Y170-D172 PolarHBondContact O-N 3.03Å |
| 171 | E | 50.9 | Low | 47.3 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -79.3 | -6.4 | -172.2 | -62 | -168.6 | 144.6 | 0 | 0 | 114.2 | S173 | E171-S173 VanDerWaalsContact C-N 3.34Å; E171-S173 PolarHBondContact O-N 3.23Å; E171-S173 VanDerWaalsContact O-N 3.1Å |
| 172 | D | 48.8 | Very low | 46.7 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -85.1 | 55.6 | -179.6 | -72.2 | -48.9 | 0 | 0 | 0 | 113.6 | Y170 | Y170-D172 VanDerWaalsContact C-N 3.29Å; Y170-D172 PolarHBondContact O-N 3.03Å | ||
| 173 | S | 48.3 | Very low | 45.7 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -149.9 | 92.2 | 173.1 | -74.5 | 0 | 0 | 0 | 0 | 112.6 | E171 | E171-S173 VanDerWaalsContact C-N 3.34Å; E171-S173 PolarHBondContact O-N 3.23Å; E171-S173 VanDerWaalsContact O-N 3.1Å | ||
| 174 | T | 34.8 | Very low | 45.2 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -76.5 | 129.1 | -179.5 | 42.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 175 | C | 37.4 | Very low | 44.7 | Very low | 132 Ų | 132 | 147 Ų | 147 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | trans | -157.3 | 150.3 | 147.8 | -102.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 176 | F | 39.2 | Very low | 44 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -99.7 | 141 | -169.7 | -71.2 | -111.6 | 0 | 0 | 0 | 112.4 | ||||
| 177 | S | 42.8 | Very low | 43.4 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | 174.4 | 166.9 | 125.9 | 38.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 178 | E | 41.8 | Very low | 42.2 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -92.9 | 155.7 | -152.1 | -63 | -179.9 | 117.1 | 0 | 0 | 116.2 | ||||
| 179 | P | 37.2 | Very low | 41.6 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | trans | -88.8 | 115.2 | 174.8 | 34 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 180 | V | 42 | Very low | 40.8 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | -92.5 | 118.5 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 181 | V | 36.5 | Very low | 39.8 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -90.9 | 119.1 | 175.4 | 177 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 182 | M | 43.1 | Very low | 39.1 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -139.8 | 126.1 | 162.4 | -74.9 | -162.5 | 169.3 | 0 | 0 | 112.2 | ||||
| 183 | N | 33.5 | Very low | 38.7 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -66.8 | 149.6 | 155.3 | -78.5 | -37.1 | 0 | 0 | 0 | 109.3 | ||||
| 184 | N | 38.3 | Very low | 38.3 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | -168.8 | 168.3 | 120.4 | -99.3 | -28.2 | 0 | 0 | 0 | 114.4 | |||||
| 185 | Q | 36.8 | Very low | 38.5 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 163.1 | 179.7 | -84.3 | -89.7 | -39.2 | 0 | 0 | 113.1 | ||||
| 186 | P | 34.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 152.6 | -165.6 | 32 | -35.7 | 0 | 0 | 0 | 113.6 | ||||
| 187 | S | 39.4 | Very low | 39.2 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -137.8 | 158.8 | 169.6 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 188 | T | 31.1 | Very low | 39.5 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -96.4 | 124.1 | -162.7 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 189 | S | 40.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -153.1 | 111.8 | 155.2 | 44.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 190 | Q | 37.2 | Very low | 40.1 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | 62.8 | 77 | 56.2 | -159.7 | -179.1 | 20.4 | 0 | 0 | 111.9 | |||||
| 191 | D | 41.4 | Very low | 40.3 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -131.3 | 148 | 156.4 | -157.1 | -7.2 | 0 | 0 | 0 | 107.4 | ||||
| 192 | N | 35.7 | Very low | 40.9 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -118.2 | 117.7 | -167.5 | -57.8 | -91.7 | 0 | 0 | 0 | 111.2 | ||||
| 193 | S | 40.7 | Very low | 41.1 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -150 | 133.4 | 168.2 | -158.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 194 | D | 39.5 | Very low | 42.2 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | 44.8 | 76 | 166 | -55.2 | -40.2 | 0 | 0 | 0 | 117.9 | ||||
| 195 | T | 39.6 | Very low | 43.2 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | -95.9 | 99 | 158.9 | -59.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 196 | D | 46.6 | Very low | 44.2 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -164.1 | -14.9 | 160.6 | -111.9 | -15.2 | 0 | 0 | 0 | 115.1 | ||
| 197 | D | 45.5 | Very low | 45.6 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -85.8 | -13 | -176.2 | -81.7 | -42.4 | 0 | 0 | 0 | 115.7 | A199 | D197-A199 PolarHBondContact O-N 3.25Š|
| 198 | E | 48.8 | Very low | 46.9 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 92% | 0.916 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 30.8 | -174.7 | -68.2 | -74.1 | 150.8 | 0 | 0 | 114.2 | ||
| 199 | A | 47.5 | Very low | 48.9 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 69% | 0.686 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -18.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D197 S201 | D197-A199 PolarHBondContact O-N 3.25Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 3.43Å |
| 200 | D | 44.4 | Very low | 50.5 | Low | 117 Ų | 117 | 119.5 Ų | 119.5 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -88.8 | 72.3 | 166 | -108.8 | -21.4 | 0 | 0 | 0 | 108.1 | K133 D202 | K133-D200 IonicContact NZ-OD1 3.92Å; K133-D200 PolarHBondContact NZ-OD1 3.2Å; K133-D200 IonicContact NZ-OD2 3.44Å; D200-D202 PolarHBondContact O-N 3.45Å |
| 201 | S | 44.9 | Very low | 52.2 | Low | 88 Ų | 88 | 111 Ų | 111 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | trans | -67.2 | 120.1 | -178.8 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | A199 M203 | A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 3.43Å; S201-M203 PolarHBondContact O-N 2.83Å | ||
| 202 | D | 49.4 | Very low | 53.8 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 79% | 0.786 | 61% | 0.606 | S | S | * | * | trans | -63.1 | 66.3 | 176.3 | -76.4 | -29.5 | 0 | 0 | 0 | 112.9 | D200 D204 | D200-D202 PolarHBondContact O-N 3.45Å; D202-D204 VanDerWaalsContact C-N 3.34Å; D202-D204 PolarHBondContact O-N 3.27Å | ||
| 203 | M | 47.1 | Very low | 56 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | trans | -74.4 | 88.3 | 165 | -76.4 | -173.6 | 62.6 | 0 | 0 | 108.9 | V126 S201 I205 | V126-M203 HydrophobicContact CG2-CE 4.26Å; S201-M203 PolarHBondContact O-N 2.83Å; M203-I205 VanDerWaalsContact C-N 3.33Å; M203-I205 WeakPolarHBondContact O-CG1 3.48Å; M203-I205 PolarHBondContact O-N 2.85Å | ||
| 204 | D | 57.8 | Low | 57.9 | Low | 105 Ų | 105 | 100.9 Ų | 100.9 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | trans | -53.1 | 93.5 | 167 | -86.8 | -27.6 | 0 | 0 | 0 | 109.2 | D202 D206 V207 | D202-D204 VanDerWaalsContact C-N 3.34Å; D202-D204 PolarHBondContact O-N 3.27Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.16Å; D204-V207 HydrophobicContact CB-CG2 3.78Å; D204-V207 WeakPolarHBondContact O-CB 3.4Å; D204-V207 WeakPolarHBondContact O-CG2 3.1Å; D204-V207 PolarHBondContact O-N 2.77Å | ||
| 205 | I | 58 | Low | 60.2 | Low | 47 Ų | 47 | 98 Ų | 98 | 24% | 0.241 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -24.3 | -177 | -54.3 | -177.6 | 0 | 0 | 0 | 111.2 | N121 V126 Q134 M203 V207 | N121-I205 WeakPolarHBondContact OD1-CG2 3.37Å; V126-I205 HydrophobicContact CG1-CD1 3.99Å; V126-I205 HydrophobicContact CG1-CG2 4.33Å; Q134-I205 HydrophobicContact CB-CD1 3.56Å; Q134-I205 HydrophobicContact CB-CG1 4.48Å; Q134-I205 HydrophobicContact CG-CD1 3.84Å; Q134-I205 HydrophobicContact CG-CG1 4.24Å; M203-I205 VanDerWaalsContact C-N 3.33Å; M203-I205 WeakPolarHBondContact O-CG1 3.48Å; M203-I205 PolarHBondContact O-N 2.85Å; I205-V207 PolarHBondContact O-N 3.36Å |
| 206 | D | 58.6 | Low | 62.4 | Low | 149 Ų | 149 | 94.9 Ų | 94.9 | 80% | 0.797 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 4.5 | 174.5 | -84.6 | -10.6 | 0 | 0 | 0 | 114.6 | D204 E208 | D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.16Å; D206-E208 PolarHBondContact O-N 3Å; D206-E208 VanDerWaalsContact O-N 3.11Å |
| 207 | V | 63.6 | Low | 64.4 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | trans | -61.4 | 114 | 175 | 166.3 | 0 | 0 | 0 | 0 | 111 | D204 I205 L209 | D204-V207 HydrophobicContact CB-CG2 3.78Å; D204-V207 WeakPolarHBondContact O-CB 3.4Å; D204-V207 WeakPolarHBondContact O-CG2 3.1Å; D204-V207 PolarHBondContact O-N 2.77Å; I205-V207 PolarHBondContact O-N 3.36Å; V207-L209 PolarHBondContact O-N 2.77Å | ||
| 208 | E | 66.7 | Low | 66.4 | Low | 82 Ų | 82 | 85.4 Ų | 85.4 | 38% | 0.383 | 50% | 0.495 | S | S | . | . | trans | -69.7 | 119.3 | 174.2 | -61.3 | -156.7 | 129.8 | 0 | 0 | 110.6 | R116 D206 D210 | R116-E208 IonicContact CZ-OE1 2.73Å; R116-E208 VanDerWaalsContact CZ-OE1 3.3Å; R116-E208 IonicContact NH1-OE1 2.76Å; R116-E208 PolarHBondContact NH1-OE1 3.17Å; R116-E208 IonicContact NH2-OE1 2.62Å; R116-E208 PolarHBondContact NH2-OE1 2.65Å; D206-E208 PolarHBondContact O-N 3Å; D206-E208 VanDerWaalsContact O-N 3.11Å; E208-D210 PolarHBondContact O-N 3.45Å | ||
| 209 | L | 73 | Confident | 68.3 | Low | 31 Ų | 31 | 79.7 Ų | 79.7 | 16% | 0.162 | 46% | 0.464 | C | S | . | . | trans | -63.1 | 103.5 | 178.5 | -66.2 | 180 | 0 | 0 | 0 | 111.5 | H120 Y123 V207 A211 L214 L222 Q244 | H120-L209 HydrophobicContact CB-CD1 4.31Å; Y123-L209 HydrophobicContact CD1-CD1 3.65Å; Y123-L209 HydrophobicContact CD1-CD2 4.37Å; Y123-L209 HydrophobicContact CE1-CD1 4.23Å; Y123-L209 HydrophobicContact CE1-CD2 4.41Å; Y123-L209 HydrophobicContact CG-CD1 4.47Å; V207-L209 PolarHBondContact O-N 2.77Å; L209-A211 PolarHBondContact O-N 3.1Å; L209-L214 HydrophobicContact CB-CD1 4.39Å; L209-L222 HydrophobicContact CD1-CD1 3.78Å; L209-Q244 PolarHBondContact O-NE2 2.97Å | ||
| 210 | D | 74.7 | Confident | 70.2 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 40% | 0.401 | 46% | 0.462 | S | S | . | . | trans | -59.1 | 109.8 | 175.4 | -179.4 | -8.3 | 0 | 0 | 0 | 110.9 | E208 S212 A213 L214 | E208-D210 PolarHBondContact O-N 3.45Å; D210-S212 VanDerWaalsContact CG-OG 3.27Å; D210-S212 PolarHBondContact O-N 2.79Å; D210-S212 WeakPolarHBondContact OD1-CA 3.24Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.39Å; D210-S212 PolarHBondContact OD1-N 2.81Å; D210-S212 PolarHBondContact OD1-OG 3.28Å; D210-S212 PolarHBondContact OD2-OG 2.82Å; D210-A213 HydrophobicContact CB-CB 4.03Å; D210-A213 PolarHBondContact O-N 2.76Å; D210-A213 VanDerWaalsContact O-N 3.1Å; D210-A213 PolarHBondContact OD1-N 2.58Å; D210-L214 WeakPolarHBondContact O-CD1 3.34Å; D210-L214 PolarHBondContact O-N 2.96Å | ||
| 211 | A | 73.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L209 R219 L240 D241 Q244 | L209-A211 PolarHBondContact O-N 3.1Å; A211-R219 PolarHBondContact O-NH1 3.46Å; A211-R219 PolarHBondContact O-NH2 2.86Å; A211-L240 HydrophobicContact CB-CD2 3.88Å; A211-L240 HydrophobicContact CB-CG 4.04Å; A211-D241 VanDerWaalsContact CB-OD1 3.27Å; A211-D241 WeakPolarHBondContact CB-OD1 3.37Å; A211-Q244 VanDerWaalsContact CB-OE1 3.28Å; A211-Q244 VanDerWaalsContact N-NE2 3.13Å |
| 212 | S | 75.1 | Confident | 74.4 | Confident | 89 Ų | 89 | 78.3 Ų | 78.3 | 62% | 0.622 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -35.6 | 169 | 80.3 | 0 | 0 | 0 | 0 | 111.7 | D210 R219 | D210-S212 VanDerWaalsContact CG-OG 3.27Å; D210-S212 PolarHBondContact O-N 2.79Å; D210-S212 WeakPolarHBondContact OD1-CA 3.24Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.39Å; D210-S212 PolarHBondContact OD1-N 2.81Å; D210-S212 PolarHBondContact OD1-OG 3.28Å; D210-S212 PolarHBondContact OD2-OG 2.82Å; S212-R219 PolarHBondContact O-NH2 2.87Å; S212-R219 VanDerWaalsContact O-NH2 3.13Å |
| 213 | A | 80.3 | Confident | 76.3 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -27.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D210 T215 | D210-A213 HydrophobicContact CB-CB 4.03Å; D210-A213 PolarHBondContact O-N 2.76Å; D210-A213 VanDerWaalsContact O-N 3.1Å; D210-A213 PolarHBondContact OD1-N 2.58Å; A213-T215 PolarHBondContact O-N 2.83Å |
| 214 | L | 81.8 | Confident | 78.3 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -60.5 | 135.3 | -177 | -94.5 | 72.6 | 0 | 0 | 0 | 113.2 | L209 D210 A218 R219 L222 | L209-L214 HydrophobicContact CB-CD1 4.39Å; D210-L214 WeakPolarHBondContact O-CD1 3.34Å; D210-L214 PolarHBondContact O-N 2.96Å; L214-A218 HydrophobicContact CB-CB 4.02Å; L214-A218 HydrophobicContact CD2-CB 3.96Å; L214-A218 HydrophobicContact CG-CB 3.82Å; L214-R219 HydrophobicContact CB-CG 3.99Å; L214-R219 PolarHBondContact O-NE 2.94Å; L214-R219 PolarHBondContact O-NH2 3.39Å; L214-L222 HydrophobicContact CD2-CD1 3.79Å |
| 215 | T | 86.6 | Confident | 79.9 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | trans | -65.3 | 162.2 | 173 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | A213 E217 A218 R219 | A213-T215 PolarHBondContact O-N 2.83Å; T215-E217 PolarHBondContact O-N 2.66Å; T215-E217 VanDerWaalsContact O-N 3.14Å; T215-E217 PolarHBondContact OG1-N 3.2Å; T215-A218 PolarHBondContact O-N 3.1Å; T215-A218 WeakPolarHBondContact OG1-CB 3.35Å; T215-A218 PolarHBondContact OG1-N 2.81Å; T215-R219 VanDerWaalsContact O-CG 3.31Å; T215-R219 WeakPolarHBondContact O-CG 3.33Å; T215-R219 PolarHBondContact O-N 3.06Å | ||
| 216 | A | 86.2 | Confident | 81.4 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R220 | A216-R220 WeakPolarHBondContact O-CG 3.37Å; A216-R220 PolarHBondContact O-NE 2.84Å |
| 217 | E | 87.8 | Confident | 82.8 | Confident | 109 Ų | 109 | 62.4 Ų | 62.4 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -47.3 | 171.2 | -167 | 174.5 | 152.7 | 0 | 0 | 112.2 | T215 R219 R220 Q221 | T215-E217 PolarHBondContact O-N 2.66Å; T215-E217 VanDerWaalsContact O-N 3.14Å; T215-E217 PolarHBondContact OG1-N 3.2Å; E217-R219 PolarHBondContact O-N 3.15Å; E217-R220 WeakPolarHBondContact O-CA 3.45Å; E217-R220 WeakPolarHBondContact O-CB 3.44Å; E217-R220 PolarHBondContact O-N 2.96Å; E217-Q221 HydrophobicContact CG-CG 4.47Å; E217-Q221 PolarHBondContact O-N 3.26Å; E217-Q221 PolarHBondContact OE1-NE2 3.3Å |
| 218 | A | 88.5 | Confident | 84 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -51.1 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y123 L214 T215 R220 Q221 L222 | Y123-A218 HydrophobicContact CE2-CB 4.23Å; Y123-A218 WeakPolarHBondContact OH-CB 3.23Å; L214-A218 HydrophobicContact CB-CB 4.02Å; L214-A218 HydrophobicContact CD2-CB 3.96Å; L214-A218 HydrophobicContact CG-CB 3.82Å; T215-A218 PolarHBondContact O-N 3.1Å; T215-A218 WeakPolarHBondContact OG1-CB 3.35Å; T215-A218 PolarHBondContact OG1-N 2.81Å; A218-R220 VanDerWaalsContact C-N 3.28Å; A218-R220 PolarHBondContact O-N 2.94Å; A218-Q221 PolarHBondContact O-N 3.17Å; A218-L222 VanDerWaalsContact O-CB 3.27Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 3.42Å |
| 219 | R | 88.5 | Confident | 85.1 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.4 | -36.4 | 174.3 | -67.3 | 168.9 | -157.4 | -94.3 | -5.5 | 113.1 | A211 S212 L214 T215 E217 A223 L237 | A211-R219 PolarHBondContact O-NH1 3.46Å; A211-R219 PolarHBondContact O-NH2 2.86Å; S212-R219 PolarHBondContact O-NH2 2.87Å; S212-R219 VanDerWaalsContact O-NH2 3.13Å; L214-R219 HydrophobicContact CB-CG 3.99Å; L214-R219 PolarHBondContact O-NE 2.94Å; L214-R219 PolarHBondContact O-NH2 3.39Å; T215-R219 VanDerWaalsContact O-CG 3.31Å; T215-R219 WeakPolarHBondContact O-CG 3.33Å; T215-R219 PolarHBondContact O-N 3.06Å; E217-R219 PolarHBondContact O-N 3.15Å; R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.64Å; R219-L237 HydrophobicContact CB-CD1 3.97Å; R219-L237 HydrophobicContact CB-CD2 4.34Å; R219-L237 HydrophobicContact CG-CD1 4.47Å; R219-L237 HydrophobicContact CG-CD2 4.22Å |
| 220 | R | 88.4 | Confident | 85.6 | Confident | 166 Ų | 166 | 61.4 Ų | 61.4 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -77.1 | -38.2 | 178.9 | -73.3 | 178.7 | -71 | 159.6 | 6.8 | 111.8 | A216 E217 A218 K224 | A216-R220 WeakPolarHBondContact O-CG 3.37Å; A216-R220 PolarHBondContact O-NE 2.84Å; E217-R220 WeakPolarHBondContact O-CA 3.45Å; E217-R220 WeakPolarHBondContact O-CB 3.44Å; E217-R220 PolarHBondContact O-N 2.96Å; A218-R220 VanDerWaalsContact C-N 3.28Å; A218-R220 PolarHBondContact O-N 2.94Å; R220-K224 WeakPolarHBondContact O-CB 2.79Å; R220-K224 PolarHBondContact O-N 2.89Å |
| 221 | Q | 88.2 | Confident | 86.1 | Confident | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 173.3 | -66.3 | 170.9 | -5 | 0 | 0 | 110.7 | Y123 E217 A218 A223 K224 S225 | Y123-Q221 HydrophobicContact CD2-CB 4.5Å; Y123-Q221 HydrophobicContact CE2-CB 4.32Å; E217-Q221 HydrophobicContact CG-CG 4.47Å; E217-Q221 PolarHBondContact O-N 3.26Å; E217-Q221 PolarHBondContact OE1-NE2 3.3Å; A218-Q221 PolarHBondContact O-N 3.17Å; Q221-A223 PolarHBondContact O-N 3.4Å; Q221-K224 WeakPolarHBondContact O-CA 3.46Å; Q221-K224 VanDerWaalsContact O-CB 3.3Å; Q221-K224 WeakPolarHBondContact O-CB 3.45Å; Q221-K224 PolarHBondContact O-N 2.92Å; Q221-S225 PolarHBondContact O-N 3.33Å |
| 222 | L | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.6 | -31.5 | 178.1 | 178.5 | 159.5 | 0 | 0 | 0 | 113 | I119 Y123 L209 L214 A218 K224 S225 A226 F236 L237 | I119-L222 HydrophobicContact CG2-CG 4.42Å; Y123-L222 HydrophobicContact CD1-CD1 4.43Å; Y123-L222 HydrophobicContact CD2-CB 3.88Å; Y123-L222 HydrophobicContact CE2-CB 4.33Å; Y123-L222 HydrophobicContact CG-CB 4.31Å; Y123-L222 HydrophobicContact CG-CD1 4.28Å; L209-L222 HydrophobicContact CD1-CD1 3.78Å; L214-L222 HydrophobicContact CD2-CD1 3.79Å; A218-L222 VanDerWaalsContact O-CB 3.27Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 3.42Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.37Å; L222-S225 PolarHBondContact O-OG 3.38Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 2.82Å; L222-F236 HydrophobicContact CD1-CE1 4.17Å; L222-F236 HydrophobicContact CD2-CD1 3.26Å; L222-F236 HydrophobicContact CD2-CE1 3.59Å; L222-F236 HydrophobicContact CD2-CG 4.18Å; L222-F236 HydrophobicContact CG-CD1 4.28Å; L222-F236 HydrophobicContact CG-CE1 4.17Å; L222-L237 HydrophobicContact CD2-CD2 3.63Å; L222-L237 HydrophobicContact CD2-CG 4.06Å |
| 223 | A | 88.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69 | -25.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R219 Q221 A227 P233 L237 | R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.64Å; Q221-A223 PolarHBondContact O-N 3.4Å; A223-A227 PolarHBondContact O-N 3.3Å; A223-P233 WeakPolarHBondContact CB-O 3.35Å; A223-L237 HydrophobicContact CB-CD1 4.36Å |
| 224 | K | 89.9 | Confident | 86.8 | Confident | 161 Ų | 161 | 57.7 Ų | 57.7 | 70% | 0.7 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -77.7 | -44.9 | 174.3 | -172.7 | -171.5 | 174.8 | -169.7 | 0 | 111.4 | R220 Q221 L222 A226 A227 T228 | R220-K224 WeakPolarHBondContact O-CB 2.79Å; R220-K224 PolarHBondContact O-N 2.89Å; Q221-K224 WeakPolarHBondContact O-CA 3.46Å; Q221-K224 VanDerWaalsContact O-CB 3.3Å; Q221-K224 WeakPolarHBondContact O-CB 3.45Å; Q221-K224 PolarHBondContact O-N 2.92Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.37Å; K224-A226 VanDerWaalsContact C-N 3.34Å; K224-A227 WeakPolarHBondContact O-CB 3.37Å; K224-A227 PolarHBondContact O-N 3.45Å; K224-A227 VanDerWaalsContact O-N 3.14Å; K224-T228 PolarHBondContact O-N 3.03Å |
| 225 | S | 89.6 | Confident | 87 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 173 | 59 | 0 | 0 | 0 | 0 | 111.6 | E122 Q221 L222 A227 T228 F229 | E122-S225 WeakPolarHBondContact OE1-CB 3.41Å; Q221-S225 PolarHBondContact O-N 3.33Å; L222-S225 PolarHBondContact O-OG 3.38Å; S225-A227 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact O-N 3.16Å; S225-T228 PolarHBondContact O-N 3.04Å; S225-T228 VanDerWaalsContact O-N 3.17Å; S225-T228 PolarHBondContact O-OG1 2.9Å; S225-F229 VanDerWaalsContact O-CD2 3.3Å; S225-F229 WeakPolarHBondContact O-CD2 3.14Å |
| 226 | A | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -31.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I119 L222 K224 L231 F236 | I119-A226 HydrophobicContact CD1-CB 4.16Å; I119-A226 HydrophobicContact CG2-CB 4.35Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 2.82Å; K224-A226 VanDerWaalsContact C-N 3.34Å; A226-L231 WeakPolarHBondContact O-CB 3.27Å; A226-L231 PolarHBondContact O-N 3.49Å; A226-F236 HydrophobicContact CB-CB 3.62Å; A226-F236 HydrophobicContact CB-CD2 4.22Å; A226-F236 HydrophobicContact CB-CG 4.01Å |
| 227 | A | 88.6 | Confident | 87.1 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.2 | -30.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A223 K224 S225 F229 G230 P233 | A223-A227 PolarHBondContact O-N 3.3Å; K224-A227 WeakPolarHBondContact O-CB 3.37Å; K224-A227 PolarHBondContact O-N 3.45Å; K224-A227 VanDerWaalsContact O-N 3.14Å; S225-A227 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact O-N 3.16Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 2.82Å; A227-G230 PolarHBondContact O-N 3.15Å; A227-G230 VanDerWaalsContact O-N 3.14Å; A227-P233 HydrophobicContact CB-CG 4.35Å |
| 228 | T | 89.4 | Confident | 87 | Confident | 96 Ų | 96 | 47.9 Ų | 47.9 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.4 | -28.7 | -180 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | K224 S225 G230 | K224-T228 PolarHBondContact O-N 3.03Å; S225-T228 PolarHBondContact O-N 3.04Å; S225-T228 VanDerWaalsContact O-N 3.17Å; S225-T228 PolarHBondContact O-OG1 2.9Å; T228-G230 VanDerWaalsContact C-N 3.31Å; T228-G230 PolarHBondContact O-N 3.23Å |
| 229 | F | 88.4 | Confident | 86.9 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 23% | 0.232 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 9.2 | 174.5 | -62.2 | -83.3 | 0 | 0 | 0 | 114.4 | Y115 L118 I119 E122 S225 A227 L231 | Y115-F229 HydrophobicContact CD1-CB 3.98Å; Y115-F229 AromaticContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CG 4.12Å; Y115-F229 HydrophobicContact CD2-CB 3.95Å; Y115-F229 WeakPolarHBondContact CD2-O 3.29Å; Y115-F229 HydrophobicContact CE1-CB 4.44Å; Y115-F229 HydrophobicContact CE1-CD1 4.13Å; Y115-F229 HydrophobicContact CE2-CB 4.36Å; Y115-F229 WeakPolarHBondContact CE2-O 3.22Å; Y115-F229 HydrophobicContact CG-CB 3.73Å; Y115-F229 HydrophobicContact CG-CD1 4.23Å; Y115-F229 HydrophobicContact CG-CG 4.2Å; L118-F229 HydrophobicContact CB-CE1 3.93Å; L118-F229 HydrophobicContact CB-CZ 3.91Å; L118-F229 HydrophobicContact CD1-CE1 4.29Å; I119-F229 HydrophobicContact CD1-CB 4.41Å; I119-F229 HydrophobicContact CD1-CD2 4.04Å; I119-F229 HydrophobicContact CD1-CG 4.49Å; I119-F229 HydrophobicContact CG1-CD2 3.32Å; I119-F229 HydrophobicContact CG1-CE2 3.68Å; I119-F229 HydrophobicContact CG1-CG 4.12Å; E122-F229 WeakPolarHBondContact OE2-CE2 3.28Å; S225-F229 VanDerWaalsContact O-CD2 3.3Å; S225-F229 WeakPolarHBondContact O-CD2 3.14Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 2.82Å; F229-L231 HydrophobicContact CB-CD1 4.11Å |
| 230 | G | 84.5 | Confident | 86.9 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 51.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N111 A227 T228 Y317 | N111-G230 PolarHBondContact ND2-O 2.86Å; A227-G230 PolarHBondContact O-N 3.15Å; A227-G230 VanDerWaalsContact O-N 3.14Å; T228-G230 VanDerWaalsContact C-N 3.31Å; T228-G230 PolarHBondContact O-N 3.23Å; G230-Y317 WeakPolarHBondContact O-CE1 3.36Å |
| 231 | L | 85.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | trans | -111.1 | 150.1 | 157.5 | -71 | 68.9 | 0 | 0 | 0 | 109.8 | N111 Y112 Y115 I119 A226 F229 F236 | N111-L231 HydrophobicContact CB-CD1 4.48Å; Y112-L231 HydrophobicContact CD2-CD2 4.41Å; Y115-L231 HydrophobicContact CD2-CD1 3.65Å; Y115-L231 HydrophobicContact CG-CD1 4.29Å; I119-L231 HydrophobicContact CD1-CD1 3.97Å; I119-L231 HydrophobicContact CD1-CD2 4Å; A226-L231 WeakPolarHBondContact O-CB 3.27Å; A226-L231 PolarHBondContact O-N 3.49Å; F229-L231 HydrophobicContact CB-CD1 4.11Å; L231-F236 HydrophobicContact CD2-CB 4.07Å; L231-F236 HydrophobicContact CD2-CD2 3.73Å; L231-F236 HydrophobicContact CD2-CG 4.41Å | ||
| 232 | H | 83.4 | Confident | 86.5 | Confident | 43 Ų | 43 | 34.9 Ų | 34.9 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | trans | -63.2 | 134.4 | 168.2 | -175.4 | -93.1 | 0 | 0 | 0 | 109.9 | S234 D235 D316 Y317 | H232-S234 PolarHBondContact CE1-OG 3.15Å; H232-S234 PolarHBondContact ND1-N 3.12Å; H232-S234 PolarHBondContact ND1-OG 3.03Å; H232-S234 PolarHBondContact O-N 2.8Å; H232-D235 HydrophobicContact CB-CB 4.3Å; H232-D235 WeakPolarHBondContact O-CB 3.37Å; H232-D235 PolarHBondContact O-N 2.97Å; H232-D316 PolarHBondContact CD2-O 3.43Å; H232-Y317 HydrophobicContact CB-CD2 4.17Å; H232-Y317 HydrophobicContact CB-CE2 3.53Å; H232-Y317 PolarHBondContact N-OH 2.83Å | ||
| 233 | P | 79.1 | Confident | 86.2 | Confident | 51 Ų | 51 | 35.2 Ų | 35.2 | 33% | 0.331 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.3 | -171.4 | -29.1 | 35.3 | 0 | 0 | 0 | 116.1 | A223 A227 | A223-P233 WeakPolarHBondContact CB-O 3.35Å; A227-P233 HydrophobicContact CB-CG 4.35Å |
| 234 | S | 81.9 | Confident | 86 | Confident | 62 Ų | 62 | 36.1 Ų | 36.1 | 43% | 0.434 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -5.5 | 174.5 | 70.4 | 0 | 0 | 0 | 0 | 115.3 | H232 R238 | H232-S234 PolarHBondContact CE1-OG 3.15Å; H232-S234 PolarHBondContact ND1-N 3.12Å; H232-S234 PolarHBondContact ND1-OG 3.03Å; H232-S234 PolarHBondContact O-N 2.8Å; S234-R238 WeakPolarHBondContact O-CB 3.5Å |
| 235 | D | 85.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.2 | -47.2 | 178.6 | -84.8 | -12.3 | 0 | 0 | 0 | 111.2 | R108 H232 R238 L239 Y317 | R108-D235 IonicContact CZ-OD1 2.55Å; R108-D235 IonicContact CZ-OD2 3.2Å; R108-D235 VanDerWaalsContact CZ-OD2 3.28Å; R108-D235 IonicContact NE-OD1 3.1Å; R108-D235 IonicContact NE-OD2 2.66Å; R108-D235 PolarHBondContact NE-OD2 2.92Å; R108-D235 VanDerWaalsContact NH2-CG 3.26Å; R108-D235 IonicContact NH2-OD1 3.96Å; R108-D235 PolarHBondContact NH2-OD1 3.43Å; R108-D235 IonicContact NH2-OD2 3.73Å; R108-D235 PolarHBondContact NH2-OD2 3.19Å; H232-D235 HydrophobicContact CB-CB 4.3Å; H232-D235 WeakPolarHBondContact O-CB 3.37Å; H232-D235 PolarHBondContact O-N 2.97Å; D235-R238 PolarHBondContact O-N 2.89Å; D235-R238 IonicContact OD1-CZ 2.73Å; D235-R238 IonicContact OD1-NE 3.84Å; D235-R238 IonicContact OD1-NH2 3.73Å; D235-R238 PolarHBondContact OD1-NH2 2.9Å; D235-L239 HydrophobicContact CB-CD1 4.31Å; D235-L239 WeakPolarHBondContact O-CB 3.2Å; D235-L239 VanDerWaalsContact O-CG 3.23Å; D235-L239 WeakPolarHBondContact O-CG 3.33Å; D235-L239 PolarHBondContact O-N 2.84Å; D235-Y317 PolarHBondContact OD2-OH 2.9Å |
| 236 | F | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -56.8 | -172.7 | -169 | -81 | 0 | 0 | 0 | 112.8 | Y112 R116 I119 H120 L222 A226 L231 R238 L239 L240 | Y112-F236 AromaticContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CE2 4.19Å; Y112-F236 HydrophobicContact CD2-CG 4.42Å; Y112-F236 AromaticContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CE2 4.01Å; Y112-F236 HydrophobicContact CE2-CG 4.31Å; Y112-F236 HydrophobicContact CE2-CZ 4.4Å; R116-F236 HydrophobicContact CG-CE2 4.42Å; R116-F236 HydrophobicContact CG-CZ 4.38Å; I119-F236 HydrophobicContact CB-CD2 4.29Å; I119-F236 HydrophobicContact CB-CE2 3.6Å; I119-F236 HydrophobicContact CB-CZ 3.94Å; I119-F236 HydrophobicContact CD1-CD2 3.48Å; I119-F236 VanDerWaalsContact CD1-CD2 3.48Å; I119-F236 HydrophobicContact CD1-CE2 3.49Å; I119-F236 VanDerWaalsContact CD1-CE2 3.49Å; I119-F236 HydrophobicContact CG1-CD2 4.45Å; I119-F236 HydrophobicContact CG1-CE2 4.12Å; I119-F236 HydrophobicContact CG2-CD1 4.47Å; I119-F236 HydrophobicContact CG2-CD2 3.95Å; I119-F236 HydrophobicContact CG2-CE1 4.08Å; I119-F236 HydrophobicContact CG2-CE2 3.51Å; I119-F236 HydrophobicContact CG2-CG 4.4Å; I119-F236 HydrophobicContact CG2-CZ 3.59Å; H120-F236 AromaticContact CD2-CZ 3.58Å; H120-F236 AromaticContact NE2-CE1 3.98Å; H120-F236 AromaticContact NE2-CZ 3.67Å; L222-F236 HydrophobicContact CD1-CE1 4.17Å; L222-F236 HydrophobicContact CD2-CD1 3.26Å; L222-F236 HydrophobicContact CD2-CE1 3.59Å; L222-F236 HydrophobicContact CD2-CG 4.18Å; L222-F236 HydrophobicContact CG-CD1 4.28Å; L222-F236 HydrophobicContact CG-CE1 4.17Å; A226-F236 HydrophobicContact CB-CB 3.62Å; A226-F236 HydrophobicContact CB-CD2 4.22Å; A226-F236 HydrophobicContact CB-CG 4.01Å; L231-F236 HydrophobicContact CD2-CB 4.07Å; L231-F236 HydrophobicContact CD2-CD2 3.73Å; L231-F236 HydrophobicContact CD2-CG 4.41Å; F236-R238 VanDerWaalsContact C-N 3.26Å; F236-R238 PolarHBondContact O-N 3.33Å; F236-L239 PolarHBondContact O-N 3.49Å; F236-L239 VanDerWaalsContact O-N 3.13Å; F236-L240 HydrophobicContact CE1-CB 4.44Å; F236-L240 HydrophobicContact CE1-CD2 4.05Å; F236-L240 WeakPolarHBondContact O-CB 3.49Å; F236-L240 PolarHBondContact O-N 3.05Å |
| 237 | L | 87.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 179.2 | -70.5 | 170.9 | 0 | 0 | 0 | 112.1 | R219 L222 A223 L239 L240 D241 | R219-L237 HydrophobicContact CB-CD1 3.97Å; R219-L237 HydrophobicContact CB-CD2 4.34Å; R219-L237 HydrophobicContact CG-CD1 4.47Å; R219-L237 HydrophobicContact CG-CD2 4.22Å; L222-L237 HydrophobicContact CD2-CD2 3.63Å; L222-L237 HydrophobicContact CD2-CG 4.06Å; A223-L237 HydrophobicContact CB-CD1 4.36Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 2.69Å; L237-L240 PolarHBondContact O-N 2.9Å; L237-D241 WeakPolarHBondContact O-CB 3.37Å; L237-D241 PolarHBondContact O-N 2.85Å |
| 238 | R | 84.8 | Confident | 83.9 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.8 | -31 | 179.7 | 179.7 | -174.4 | 62.6 | 76.2 | -11.1 | 112.9 | S234 D235 F236 A242 A309 S310 | S234-R238 WeakPolarHBondContact O-CB 3.5Å; D235-R238 PolarHBondContact O-N 2.89Å; D235-R238 IonicContact OD1-CZ 2.73Å; D235-R238 IonicContact OD1-NE 3.84Å; D235-R238 IonicContact OD1-NH2 3.73Å; D235-R238 PolarHBondContact OD1-NH2 2.9Å; F236-R238 VanDerWaalsContact C-N 3.26Å; F236-R238 PolarHBondContact O-N 3.33Å; R238-A242 WeakPolarHBondContact O-CB 3.11Å; R238-A242 PolarHBondContact O-N 3.35Å; R238-A309 HydrophobicContact CG-CB 4.34Å; R238-A309 PolarHBondContact NH1-O 3.15Å; R238-S310 VanDerWaalsContact NH1-CA 3.35Å; R238-S310 VanDerWaalsContact NH1-N 3.13Å; R238-S310 PolarHBondContact NH1-OG 2.97Å; R238-S310 PolarHBondContact NH2-OG 2.92Å |
| 239 | L | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -85.7 | -29.9 | 177.5 | -66.8 | 170.7 | 0 | 0 | 0 | 111.6 | L109 Y112 D235 F236 L237 A242 D243 Y306 | L109-L239 HydrophobicContact CD2-CD1 3.78Å; L109-L239 HydrophobicContact CD2-CD2 3.45Å; L109-L239 VanDerWaalsContact CD2-CD2 3.45Å; L109-L239 HydrophobicContact CD2-CG 4.3Å; Y112-L239 HydrophobicContact CD1-CB 3.9Å; Y112-L239 HydrophobicContact CD1-CD1 4.09Å; Y112-L239 HydrophobicContact CD2-CB 3.74Å; Y112-L239 HydrophobicContact CD2-CD1 4Å; Y112-L239 HydrophobicContact CE1-CB 3.83Å; Y112-L239 HydrophobicContact CE2-CB 3.65Å; Y112-L239 HydrophobicContact CG-CB 3.86Å; Y112-L239 HydrophobicContact CG-CD1 3.61Å; Y112-L239 HydrophobicContact CG-CG 4.37Å; D235-L239 HydrophobicContact CB-CD1 4.31Å; D235-L239 WeakPolarHBondContact O-CB 3.2Å; D235-L239 VanDerWaalsContact O-CG 3.23Å; D235-L239 WeakPolarHBondContact O-CG 3.33Å; D235-L239 PolarHBondContact O-N 2.84Å; F236-L239 PolarHBondContact O-N 3.49Å; F236-L239 VanDerWaalsContact O-N 3.13Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 2.69Å; L239-A242 CarbonylContact O-C 3.56Å; L239-A242 WeakPolarHBondContact O-CB 3.47Å; L239-A242 PolarHBondContact O-N 2.73Å; L239-D243 PolarHBondContact O-N 3.34Å; L239-Y306 HydrophobicContact CD2-CD1 3.84Å; L239-Y306 HydrophobicContact CD2-CE1 4.48Å; L239-Y306 HydrophobicContact CD2-CG 4.18Å |
| 240 | L | 87.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -46.1 | 170 | -174.1 | 66.8 | 0 | 0 | 0 | 111.8 | Y112 A211 F236 L237 A242 D243 Q244 | Y112-L240 WeakPolarHBondContact OH-CA 3.43Å; Y112-L240 PolarHBondContact OH-N 2.96Å; A211-L240 HydrophobicContact CB-CD2 3.88Å; A211-L240 HydrophobicContact CB-CG 4.04Å; F236-L240 HydrophobicContact CE1-CB 4.44Å; F236-L240 HydrophobicContact CE1-CD2 4.05Å; F236-L240 WeakPolarHBondContact O-CB 3.49Å; F236-L240 PolarHBondContact O-N 3.05Å; L237-L240 PolarHBondContact O-N 2.9Å; L240-A242 PolarHBondContact O-N 3.46Å; L240-D243 PolarHBondContact O-N 3.49Å; L240-Q244 PolarHBondContact O-N 3.17Å |
| 241 | D | 84.7 | Confident | 81.7 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.2 | -37.4 | 169.3 | -81.4 | -6.5 | 0 | 0 | 0 | 111.4 | A211 L237 Q245 | A211-D241 VanDerWaalsContact CB-OD1 3.27Å; A211-D241 WeakPolarHBondContact CB-OD1 3.37Å; L237-D241 WeakPolarHBondContact O-CB 3.37Å; L237-D241 PolarHBondContact O-N 2.85Å; D241-Q245 VanDerWaalsContact O-CG 3.24Å; D241-Q245 WeakPolarHBondContact O-CG 3.01Å; D241-Q245 PolarHBondContact O-N 2.88Å; D241-Q245 VanDerWaalsContact O-N 3.15Å; D241-Q245 PolarHBondContact O-NE2 3.39Å |
| 242 | A | 84 | Confident | 81.1 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.3 | -36 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R238 L239 L240 L246 V305 Y306 A309 | R238-A242 WeakPolarHBondContact O-CB 3.11Å; R238-A242 PolarHBondContact O-N 3.35Å; L239-A242 CarbonylContact O-C 3.56Å; L239-A242 WeakPolarHBondContact O-CB 3.47Å; L239-A242 PolarHBondContact O-N 2.73Å; L240-A242 PolarHBondContact O-N 3.46Å; A242-L246 WeakPolarHBondContact O-CB 3.26Å; A242-L246 PolarHBondContact O-N 3.31Å; A242-V305 HydrophobicContact CB-CG1 4.03Å; A242-Y306 HydrophobicContact CB-CD1 4.37Å; A242-A309 HydrophobicContact CB-CB 4.45Å |
| 243 | D | 84.1 | Confident | 80.4 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 171.3 | -93.9 | -17.4 | 0 | 0 | 0 | 110.5 | Y112 R116 L239 L240 L246 E247 R302 Y306 | Y112-D243 WeakPolarHBondContact CE1-OD2 3.37Å; Y112-D243 PolarHBondContact OH-OD2 3.45Å; R116-D243 IonicContact CZ-OD2 4Å; R116-D243 IonicContact NH1-OD2 3.27Å; R116-D243 PolarHBondContact NH1-OD2 2.93Å; L239-D243 PolarHBondContact O-N 3.34Å; L240-D243 PolarHBondContact O-N 3.49Å; D243-L246 CarbonylContact O-C 3.59Å; D243-L246 WeakPolarHBondContact O-CB 3.35Å; D243-L246 PolarHBondContact O-N 2.55Å; D243-L246 VanDerWaalsContact O-N 3.12Å; D243-E247 PolarHBondContact O-N 3.46Å; D243-R302 IonicContact OD1-NE 3.24Å; D243-Y306 WeakPolarHBondContact OD1-CE1 3.19Å; D243-Y306 PolarHBondContact OD1-OH 3.42Å |
| 244 | Q | 83.7 | Confident | 79.9 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 179.7 | -73.3 | 160.6 | 20.8 | 0 | 0 | 112.4 | L209 A211 L240 L246 E247 V248 | L209-Q244 PolarHBondContact O-NE2 2.97Å; A211-Q244 VanDerWaalsContact CB-OE1 3.28Å; A211-Q244 VanDerWaalsContact N-NE2 3.13Å; L240-Q244 PolarHBondContact O-N 3.17Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 PolarHBondContact O-N 2.83Å; Q244-E247 PolarHBondContact O-N 3.19Å; Q244-V248 WeakPolarHBondContact O-CB 3.4Å; Q244-V248 WeakPolarHBondContact O-CG2 3.33Å; Q244-V248 PolarHBondContact O-N 3.41Å |
| 245 | Q | 80.6 | Confident | 79.4 | Confident | 121 Ų | 121 | 52.7 Ų | 52.7 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.1 | -40.5 | 171.3 | -75.6 | 166.3 | 57.1 | 0 | 0 | 111.9 | D241 E249 | D241-Q245 VanDerWaalsContact O-CG 3.24Å; D241-Q245 WeakPolarHBondContact O-CG 3.01Å; D241-Q245 PolarHBondContact O-N 2.88Å; D241-Q245 VanDerWaalsContact O-N 3.15Å; D241-Q245 PolarHBondContact O-NE2 3.39Å; Q245-E249 WeakPolarHBondContact O-CB 3.26Å; Q245-E249 PolarHBondContact O-N 3.35Å |
| 246 | L | 77.1 | Confident | 78.7 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 176.8 | 174.4 | 142.8 | 0 | 0 | 0 | 112.8 | A242 D243 Q244 E249 L250 R302 V305 | A242-L246 WeakPolarHBondContact O-CB 3.26Å; A242-L246 PolarHBondContact O-N 3.31Å; D243-L246 CarbonylContact O-C 3.59Å; D243-L246 WeakPolarHBondContact O-CB 3.35Å; D243-L246 PolarHBondContact O-N 2.55Å; D243-L246 VanDerWaalsContact O-N 3.12Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 PolarHBondContact O-N 2.83Å; L246-E249 PolarHBondContact O-N 3.18Å; L246-L250 HydrophobicContact CD2-CD1 3.64Å; L246-L250 HydrophobicContact CD2-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.21Å; L246-L250 WeakPolarHBondContact O-CB 3.44Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.83Å; L246-R302 HydrophobicContact CD1-CB 4.27Å; L246-R302 HydrophobicContact CD1-CG 3.73Å; L246-R302 HydrophobicContact CD2-CG 4.08Å; L246-V305 HydrophobicContact CB-CG2 4.43Å; L246-V305 HydrophobicContact CD1-CB 4.46Å; L246-V305 HydrophobicContact CD1-CG2 3.81Å |
| 247 | E | 76.3 | Confident | 77.5 | Confident | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 175.4 | -155.4 | -77.8 | 137 | 0 | 0 | 110.3 | D243 Q244 E249 L250 R251 | D243-E247 PolarHBondContact O-N 3.46Å; Q244-E247 PolarHBondContact O-N 3.19Å; E247-E249 PolarHBondContact O-N 3.18Å; E247-L250 PolarHBondContact O-N 3Å; E247-R251 VanDerWaalsContact O-CB 3.29Å; E247-R251 WeakPolarHBondContact O-CB 3.38Å; E247-R251 PolarHBondContact O-N 3.48Å |
| 248 | V | 78.8 | Confident | 76.4 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 112 | Q244 R251 L252 | Q244-V248 WeakPolarHBondContact O-CB 3.4Å; Q244-V248 WeakPolarHBondContact O-CG2 3.33Å; Q244-V248 PolarHBondContact O-N 3.41Å; V248-R251 PolarHBondContact O-N 3.1Å; V248-L252 VanDerWaalsContact O-CB 3.31Å; V248-L252 WeakPolarHBondContact O-CB 3.46Å; V248-L252 PolarHBondContact O-N 3.16Å |
| 249 | E | 74.4 | Confident | 75.5 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 174.8 | -83 | -154.3 | -154.9 | 0 | 0 | 112.3 | Q245 L246 E247 A253 G293 I300 | Q245-E249 WeakPolarHBondContact O-CB 3.26Å; Q245-E249 PolarHBondContact O-N 3.35Å; L246-E249 PolarHBondContact O-N 3.18Å; E247-E249 PolarHBondContact O-N 3.18Å; E249-A253 WeakPolarHBondContact O-CB 3.28Å; E249-A253 PolarHBondContact O-N 3.23Å; E249-G293 PolarHBondContact OE2-N 3.5Å; E249-I300 VanDerWaalsContact OE2-CD1 3.3Å; E249-I300 WeakPolarHBondContact OE2-CD1 3.38Å |
| 250 | L | 70.3 | Confident | 74.4 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 34% | 0.335 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 175.7 | -75.6 | 173.7 | 0 | 0 | 0 | 112.1 | L246 E247 A253 K254 P299 | L246-L250 HydrophobicContact CD2-CD1 3.64Å; L246-L250 HydrophobicContact CD2-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.21Å; L246-L250 WeakPolarHBondContact O-CB 3.44Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.83Å; E247-L250 PolarHBondContact O-N 3Å; L250-A253 PolarHBondContact O-N 3.44Å; L250-K254 WeakPolarHBondContact O-CB 3.06Å; L250-K254 VanDerWaalsContact O-CG 3.28Å; L250-K254 WeakPolarHBondContact O-CG 3.48Å; L250-K254 PolarHBondContact O-N 2.81Å; L250-P299 HydrophobicContact CD2-CB 4.48Å |
| 251 | R | 71.2 | Confident | 73.1 | Confident | 168 Ų | 168 | 72.9 Ų | 72.9 | 63% | 0.634 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 175.8 | -170.3 | 175.1 | -173.8 | 134.1 | -2.3 | 111.2 | E247 V248 K254 A255 | E247-R251 VanDerWaalsContact O-CB 3.29Å; E247-R251 WeakPolarHBondContact O-CB 3.38Å; E247-R251 PolarHBondContact O-N 3.48Å; V248-R251 PolarHBondContact O-N 3.1Å; R251-K254 PolarHBondContact O-N 3.09Å; R251-A255 WeakPolarHBondContact O-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.47Å |
| 252 | L | 74.3 | Confident | 72 | Confident | 85 Ų | 85 | 76 Ų | 76 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 174.4 | -176.6 | 146.1 | 0 | 0 | 0 | 112 | V248 A255 L256 I292 | V248-L252 VanDerWaalsContact O-CB 3.31Å; V248-L252 WeakPolarHBondContact O-CB 3.46Å; V248-L252 PolarHBondContact O-N 3.16Å; L252-A255 PolarHBondContact O-N 2.99Å; L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.27Å; L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.5Å; L252-I292 HydrophobicContact CD2-CG2 4.14Å |
| 253 | A | 68.4 | Low | 70.7 | Confident | 24 Ų | 24 | 77 Ų | 77 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E249 L250 L256 E257 | E249-A253 WeakPolarHBondContact O-CB 3.28Å; E249-A253 PolarHBondContact O-N 3.23Å; L250-A253 PolarHBondContact O-N 3.44Å; A253-L256 PolarHBondContact O-N 3.14Å; A253-E257 PolarHBondContact O-N 3.09Å |
| 254 | K | 69.2 | Low | 69.1 | Low | 144 Ų | 144 | 81.1 Ų | 81.1 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58 | -48.2 | 172.5 | -75.8 | 169.7 | -179 | 172.9 | 0 | 111.2 | L250 R251 L256 E257 E258 | L250-K254 WeakPolarHBondContact O-CB 3.06Å; L250-K254 VanDerWaalsContact O-CG 3.28Å; L250-K254 WeakPolarHBondContact O-CG 3.48Å; L250-K254 PolarHBondContact O-N 2.81Å; R251-K254 PolarHBondContact O-N 3.09Å; K254-L256 PolarHBondContact O-N 3.17Å; K254-E257 PolarHBondContact O-N 2.86Å; K254-E257 VanDerWaalsContact O-N 3.1Å; K254-E258 PolarHBondContact O-N 2.74Å |
| 255 | A | 70.9 | Confident | 67.6 | Low | 58 Ų | 58 | 81.3 Ų | 81.3 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R251 L252 E257 E258 E259 | R251-A255 WeakPolarHBondContact O-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.47Å; L252-A255 PolarHBondContact O-N 2.99Å; A255-E257 VanDerWaalsContact C-N 3.3Å; A255-E257 PolarHBondContact O-N 2.86Å; A255-E258 PolarHBondContact O-N 3.47Å; A255-E259 PolarHBondContact O-N 3.34Å |
| 256 | L | 71.1 | Confident | 66.3 | Low | 76 Ų | 76 | 87.4 Ų | 87.4 | 40% | 0.398 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.9 | -25.3 | 174.2 | -74.2 | 178.1 | 0 | 0 | 0 | 113.3 | L252 A253 K254 K260 | L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.27Å; L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.5Å; A253-L256 PolarHBondContact O-N 3.14Å; K254-L256 PolarHBondContact O-N 3.17Å; L256-K260 VanDerWaalsContact O-CD 3.28Å; L256-K260 WeakPolarHBondContact O-CD 3.22Å; L256-K260 WeakPolarHBondContact O-CE 3.49Å; L256-K260 WeakPolarHBondContact O-CG 3.4Å; L256-K260 PolarHBondContact O-N 2.71Å; L256-K260 PolarHBondContact O-NZ 3.4Å |
| 257 | E | 61.9 | Low | 65 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -77.3 | -43.3 | 170.2 | -179.8 | 147.3 | -121.1 | 0 | 0 | 112 | A253 K254 A255 E259 K260 L261 | A253-E257 PolarHBondContact O-N 3.09Å; K254-E257 PolarHBondContact O-N 2.86Å; K254-E257 VanDerWaalsContact O-N 3.1Å; A255-E257 VanDerWaalsContact C-N 3.3Å; A255-E257 PolarHBondContact O-N 2.86Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 2.95Å; E257-K260 WeakPolarHBondContact O-CA 3.44Å; E257-K260 WeakPolarHBondContact O-CB 3.49Å; E257-K260 PolarHBondContact O-N 3.41Å; E257-K260 VanDerWaalsContact O-N 3.07Å; E257-L261 HydrophobicContact CG-CD1 4Å; E257-L261 HydrophobicContact CG-CG 4.4Å; E257-L261 WeakPolarHBondContact O-CG 3.36Å; E257-L261 PolarHBondContact O-N 3.43Å |
| 258 | E | 64.4 | Low | 64.1 | Low | 112 Ų | 112 | 92.9 Ų | 92.9 | 52% | 0.523 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.7 | -153.2 | -155.7 | 138.2 | 0 | 0 | 111.3 | K254 A255 K260 L261 Q262 | K254-E258 PolarHBondContact O-N 2.74Å; A255-E258 PolarHBondContact O-N 3.47Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 PolarHBondContact O-N 3.46Å; E258-L261 CarbonylContact O-C 3.6Å; E258-L261 WeakPolarHBondContact O-CA 3.47Å; E258-L261 PolarHBondContact O-N 3.34Å; E258-Q262 WeakPolarHBondContact O-CG 3.4Å; E258-Q262 PolarHBondContact O-N 3.49Å; E258-Q262 PolarHBondContact OE1-NE2 3.03Å |
| 259 | E | 65.4 | Low | 63 | Low | 58 Ų | 58 | 97.6 Ų | 97.6 | 27% | 0.271 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.1 | -46.8 | 172.8 | -166.1 | -162.9 | -125.7 | 0 | 0 | 111.1 | A255 E257 L261 Q262 L263 L275 R279 | A255-E259 PolarHBondContact O-N 3.34Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 2.95Å; E259-L261 VanDerWaalsContact C-N 3.28Å; E259-L261 PolarHBondContact O-N 2.81Å; E259-Q262 PolarHBondContact O-N 3.49Å; E259-L263 HydrophobicContact CG-CD1 3.99Å; E259-L263 VanDerWaalsContact O-CB 3.32Å; E259-L263 WeakPolarHBondContact O-CB 3.44Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.28Å; E259-L263 WeakPolarHBondContact O-CG 3.3Å; E259-L263 PolarHBondContact O-N 2.92Å; E259-L275 WeakPolarHBondContact OE1-CD1 3.45Å; E259-R279 IonicContact OE2-CZ 2.64Å; E259-R279 IonicContact OE2-NE 3.18Å; E259-R279 IonicContact OE2-NH2 3.04Å; E259-R279 PolarHBondContact OE2-NH2 3.04Å |
| 260 | K | 65 | Low | 62.3 | Low | 64 Ų | 64 | 105.1 Ų | 105.1 | 28% | 0.278 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 175.7 | -64.7 | 161 | -152 | 139.1 | 0 | 111.9 | L256 E257 E258 L263 S264 F436 | L256-K260 VanDerWaalsContact O-CD 3.28Å; L256-K260 WeakPolarHBondContact O-CD 3.22Å; L256-K260 WeakPolarHBondContact O-CE 3.49Å; L256-K260 WeakPolarHBondContact O-CG 3.4Å; L256-K260 PolarHBondContact O-N 2.71Å; L256-K260 PolarHBondContact O-NZ 3.4Å; E257-K260 WeakPolarHBondContact O-CA 3.44Å; E257-K260 WeakPolarHBondContact O-CB 3.49Å; E257-K260 PolarHBondContact O-N 3.41Å; E257-K260 VanDerWaalsContact O-N 3.07Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 PolarHBondContact O-N 3.46Å; K260-L263 CarbonylContact O-C 3.39Å; K260-L263 WeakPolarHBondContact O-CB 3.43Å; K260-L263 PolarHBondContact O-N 3.02Å; K260-S264 PolarHBondContact O-N 2.91Å; K260-F436 HydrophobicContact CB-CE1 3.97Å; K260-F436 HydrophobicContact CB-CZ 4.14Å; K260-F436 HydrophobicContact CD-CE1 3.79Å; K260-F436 HydrophobicContact CD-CZ 4.1Å; K260-F436 HydrophobicContact CG-CE1 4.32Å; K260-F436 HydrophobicContact CG-CZ 4.33Å |
| 261 | L | 60 | Low | 61.8 | Low | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74.3 | -42 | 179.8 | -70.7 | 169.9 | 0 | 0 | 0 | 112.5 | E257 E258 E259 L263 S264 | E257-L261 HydrophobicContact CG-CD1 4Å; E257-L261 HydrophobicContact CG-CG 4.4Å; E257-L261 WeakPolarHBondContact O-CG 3.36Å; E257-L261 PolarHBondContact O-N 3.43Å; E258-L261 CarbonylContact O-C 3.6Å; E258-L261 WeakPolarHBondContact O-CA 3.47Å; E258-L261 PolarHBondContact O-N 3.34Å; E259-L261 VanDerWaalsContact C-N 3.28Å; E259-L261 PolarHBondContact O-N 2.81Å; L261-L263 PolarHBondContact O-N 3.24Å; L261-S264 WeakPolarHBondContact O-CB 3.36Å; L261-S264 PolarHBondContact O-N 2.88Å |
| 262 | Q | 61.7 | Low | 61.3 | Low | 129 Ų | 129 | 100.8 Ų | 100.8 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.1 | -28.4 | 169.1 | -65.9 | -179.4 | 16.7 | 0 | 0 | 111.7 | E258 E259 S264 S268 | E258-Q262 WeakPolarHBondContact O-CG 3.4Å; E258-Q262 PolarHBondContact O-N 3.49Å; E258-Q262 PolarHBondContact OE1-NE2 3.03Å; E259-Q262 PolarHBondContact O-N 3.49Å; Q262-S264 VanDerWaalsContact C-N 3.31Å; Q262-S268 PolarHBondContact O-OG 2.92Å |
| 263 | L | 55.6 | Low | 60.7 | Low | 24 Ų | 24 | 105 Ų | 105 | 13% | 0.126 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.6 | 171.6 | -66.6 | 164.4 | 0 | 0 | 0 | 113.8 | E259 K260 L261 R272 L275 | E259-L263 HydrophobicContact CG-CD1 3.99Å; E259-L263 VanDerWaalsContact O-CB 3.32Å; E259-L263 WeakPolarHBondContact O-CB 3.44Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.28Å; E259-L263 WeakPolarHBondContact O-CG 3.3Å; E259-L263 PolarHBondContact O-N 2.92Å; K260-L263 CarbonylContact O-C 3.39Å; K260-L263 WeakPolarHBondContact O-CB 3.43Å; K260-L263 PolarHBondContact O-N 3.02Å; L261-L263 PolarHBondContact O-N 3.24Å; L263-R272 HydrophobicContact CB-CG 4.05Å; L263-R272 HydrophobicContact CD2-CG 3.74Å; L263-R272 HydrophobicContact CG-CG 4.44Å; L263-R272 WeakPolarHBondContact O-CD 3.29Å; L263-R272 PolarHBondContact O-NH1 2.96Å; L263-L275 HydrophobicContact CD1-CD2 3.28Å; L263-L275 HydrophobicContact CD1-CG 4.32Å |
| 264 | S | 50.5 | Low | 60.4 | Low | 91 Ų | 91 | 109.6 Ų | 109.6 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | trans | -86.9 | 132.2 | 173.6 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | K260 L261 Q262 | K260-S264 PolarHBondContact O-N 2.91Å; L261-S264 WeakPolarHBondContact O-CB 3.36Å; L261-S264 PolarHBondContact O-N 2.88Å; Q262-S264 VanDerWaalsContact C-N 3.31Å | ||
| 265 | G | 53.7 | Low | 60.1 | Low | 42 Ų | 42 | 104.1 Ų | 104.1 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 117.3 | 166.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | K267 R272 | G265-K267 PolarHBondContact O-N 3.31Å; G265-R272 PolarHBondContact O-NH1 3.34Å; G265-R272 PolarHBondContact O-NH2 3.15Å |
| 266 | R | 52.4 | Low | 59.8 | Low | 248 Ų | 248 | 110.8 Ų | 110.8 | 94% | 0.936 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -65.5 | -37.2 | -171 | -74.8 | -174.9 | 175 | -173.9 | -0.3 | 113.9 | ||
| 267 | K | 48.8 | Very low | 59.4 | Low | 189 Ų | 189 | 112.3 Ų | 112.3 | 82% | 0.822 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -69.3 | -32.8 | -177 | -66.4 | -173.4 | 178.9 | -176.8 | 0 | 113.5 | G265 R269 | G265-K267 PolarHBondContact O-N 3.31Å; K267-R269 PolarHBondContact O-N 3.49Å |
| 268 | S | 58.2 | Low | 59.5 | Low | 19 Ų | 19 | 115.2 Ų | 115.2 | 13% | 0.133 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -73.9 | 25.2 | -173.1 | -150.6 | 0 | 0 | 0 | 0 | 115.3 | Q262 R272 | Q262-S268 PolarHBondContact O-OG 2.92Å; S268-R272 WeakPolarHBondContact O-CB 3.47Å; S268-R272 WeakPolarHBondContact O-CG 3.5Å; S268-R272 PolarHBondContact O-N 2.95Å |
| 269 | R | 55.9 | Low | 59.4 | Low | 189 Ų | 189 | 115.8 Ų | 115.8 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -74.6 | -26.5 | -176.2 | -176.4 | 170.5 | 168.1 | 143 | -5.6 | 113.8 | K267 | K267-R269 PolarHBondContact O-N 3.49Š|
| 270 | R | 58.5 | Low | 59 | Low | 216 Ų | 216 | 116.1 Ų | 116.1 | 82% | 0.815 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -48.3 | 170 | -104.3 | -170.8 | 177.8 | -162.6 | -0.3 | 111 | R272 R273 L274 | R270-R272 VanDerWaalsContact C-N 3.33Å; R270-R272 PolarHBondContact O-N 3.34Å; R270-R273 WeakPolarHBondContact O-CA 3.47Å; R270-R273 WeakPolarHBondContact O-CB 3.32Å; R270-R273 PolarHBondContact O-N 3.17Å; R270-L274 PolarHBondContact O-N 2.83Å; R270-L274 VanDerWaalsContact O-N 3.09Å |
| 271 | S | 59.8 | Low | 58.6 | Low | 58 Ų | 58 | 120.7 Ų | 120.7 | 41% | 0.406 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 178.9 | -39 | 0 | 0 | 0 | 0 | 112.3 | R273 L274 L275 | S271-R273 PolarHBondContact O-N 2.86Å; S271-L274 PolarHBondContact O-N 3.25Å; S271-L275 WeakPolarHBondContact O-CB 3.4Å; S271-L275 PolarHBondContact O-N 3Å |
| 272 | R | 61.3 | Low | 58.2 | Low | 84 Ų | 84 | 119.5 Ų | 119.5 | 32% | 0.317 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -14.5 | 171.4 | -74.9 | -172.1 | -60.4 | -101.5 | -4.1 | 115.4 | L263 G265 S268 R270 R276 | L263-R272 HydrophobicContact CB-CG 4.05Å; L263-R272 HydrophobicContact CD2-CG 3.74Å; L263-R272 HydrophobicContact CG-CG 4.44Å; L263-R272 WeakPolarHBondContact O-CD 3.29Å; L263-R272 PolarHBondContact O-NH1 2.96Å; G265-R272 PolarHBondContact O-NH1 3.34Å; G265-R272 PolarHBondContact O-NH2 3.15Å; S268-R272 WeakPolarHBondContact O-CB 3.47Å; S268-R272 WeakPolarHBondContact O-CG 3.5Å; S268-R272 PolarHBondContact O-N 2.95Å; R270-R272 VanDerWaalsContact C-N 3.33Å; R270-R272 PolarHBondContact O-N 3.34Å; R272-R276 WeakPolarHBondContact O-CD 3.37Å; R272-R276 VanDerWaalsContact O-CG 3.27Å; R272-R276 WeakPolarHBondContact O-CG 3.38Å |
| 273 | R | 63 | Low | 57.3 | Low | 174 Ų | 174 | 122.6 Ų | 122.6 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -83.9 | -54.7 | 167.8 | -89.7 | -172.1 | 168.7 | -176.8 | -5.7 | 110.2 | R270 S271 L275 R276 E277 | R270-R273 WeakPolarHBondContact O-CA 3.47Å; R270-R273 WeakPolarHBondContact O-CB 3.32Å; R270-R273 PolarHBondContact O-N 3.17Å; S271-R273 PolarHBondContact O-N 2.86Å; R273-L275 VanDerWaalsContact C-N 3.28Å; R273-L275 PolarHBondContact O-N 3.31Å; R273-R276 CarbonylContact O-C 3.54Å; R273-R276 WeakPolarHBondContact O-CA 3.48Å; R273-R276 WeakPolarHBondContact O-CB 3.4Å; R273-R276 PolarHBondContact O-N 3.2Å; R273-E277 PolarHBondContact O-N 3.23Å |
| 274 | L | 62.1 | Low | 56.5 | Low | 119 Ų | 119 | 129 Ų | 129 | 62% | 0.623 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -53.5 | -42.9 | 179 | -74.1 | 165 | 0 | 0 | 0 | 112.5 | R270 S271 E277 R278 | R270-L274 PolarHBondContact O-N 2.83Å; R270-L274 VanDerWaalsContact O-N 3.09Å; S271-L274 PolarHBondContact O-N 3.25Å; L274-E277 PolarHBondContact O-N 3.48Å; L274-R278 PolarHBondContact O-N 3.36Å |
| 275 | L | 62.5 | Low | 55.9 | Low | 29 Ų | 29 | 129.1 Ų | 129.1 | 15% | 0.152 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -65.6 | -39 | 174.9 | -169.9 | 82.9 | 0 | 0 | 0 | 112.8 | E259 L263 S271 R273 E277 R278 R279 | E259-L275 WeakPolarHBondContact OE1-CD1 3.45Å; L263-L275 HydrophobicContact CD1-CD2 3.28Å; L263-L275 HydrophobicContact CD1-CG 4.32Å; S271-L275 WeakPolarHBondContact O-CB 3.4Å; S271-L275 PolarHBondContact O-N 3Å; R273-L275 VanDerWaalsContact C-N 3.28Å; R273-L275 PolarHBondContact O-N 3.31Å; L275-E277 VanDerWaalsContact C-N 3.25Å; L275-E277 PolarHBondContact O-N 3.17Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-R279 HydrophobicContact CG-CG 4.34Å; L275-R279 WeakPolarHBondContact O-CB 3.49Å; L275-R279 WeakPolarHBondContact O-CG 3.37Å; L275-R279 PolarHBondContact O-N 3.37Å |
| 276 | R | 63.9 | Low | 55.3 | Low | 198 Ų | 198 | 138.5 Ų | 138.5 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.8 | -30.2 | 175.8 | -81.1 | -179.9 | 170.8 | -160.7 | -3.7 | 111.8 | R272 R273 A280 | R272-R276 WeakPolarHBondContact O-CD 3.37Å; R272-R276 VanDerWaalsContact O-CG 3.27Å; R272-R276 WeakPolarHBondContact O-CG 3.38Å; R273-R276 CarbonylContact O-C 3.54Å; R273-R276 WeakPolarHBondContact O-CA 3.48Å; R273-R276 WeakPolarHBondContact O-CB 3.4Å; R273-R276 PolarHBondContact O-N 3.2Å; R276-A280 WeakPolarHBondContact O-CB 3.38Å; R276-A280 PolarHBondContact O-N 2.95Å |
| 277 | E | 63.2 | Low | 54.6 | Low | 109 Ų | 109 | 133.6 Ų | 133.6 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.1 | -46.6 | 173.5 | -73.1 | 162.8 | 129.2 | 0 | 0 | 110.8 | R273 L274 L275 R279 A280 Q281 | R273-E277 PolarHBondContact O-N 3.23Å; L274-E277 PolarHBondContact O-N 3.48Å; L275-E277 VanDerWaalsContact C-N 3.25Å; L275-E277 PolarHBondContact O-N 3.17Å; E277-R279 PolarHBondContact O-N 3.09Å; E277-A280 CarbonylContact O-C 3.58Å; E277-A280 PolarHBondContact O-N 3.38Å; E277-Q281 WeakPolarHBondContact O-CG 3.38Å; E277-Q281 PolarHBondContact O-N 3.3Å |
| 278 | R | 63.7 | Low | 53.9 | Low | 161 Ų | 161 | 131 Ų | 131 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -55.9 | -53.2 | 174.4 | -166.7 | 178.8 | -174.1 | 170.3 | 10.5 | 111.8 | L274 L275 A280 Q281 E282 | L274-R278 PolarHBondContact O-N 3.36Å; L275-R278 PolarHBondContact O-N 3.12Å; R278-A280 PolarHBondContact O-N 3.41Å; R278-A280 VanDerWaalsContact O-N 3.12Å; R278-Q281 PolarHBondContact O-N 3.11Å; R278-E282 IonicContact NE-OE1 2.8Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.19Å |
| 279 | R | 61.3 | Low | 52.9 | Low | 123 Ų | 123 | 135 Ų | 135 | 46% | 0.464 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.1 | -5.6 | 175.8 | -64.2 | -176.1 | -173.4 | -169.4 | 4.8 | 114.7 | E259 L275 E277 | E259-R279 IonicContact OE2-CZ 2.64Å; E259-R279 IonicContact OE2-NE 3.18Å; E259-R279 IonicContact OE2-NH2 3.04Å; E259-R279 PolarHBondContact OE2-NH2 3.04Å; L275-R279 HydrophobicContact CG-CG 4.34Å; L275-R279 WeakPolarHBondContact O-CB 3.49Å; L275-R279 WeakPolarHBondContact O-CG 3.37Å; L275-R279 PolarHBondContact O-N 3.37Å; E277-R279 PolarHBondContact O-N 3.09Å |
| 280 | A | 58.4 | Low | 52.1 | Low | 66 Ų | 66 | 130.8 Ų | 130.8 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -103.3 | -24.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | R276 E277 R278 | R276-A280 WeakPolarHBondContact O-CB 3.38Å; R276-A280 PolarHBondContact O-N 2.95Å; E277-A280 CarbonylContact O-C 3.58Å; E277-A280 PolarHBondContact O-N 3.38Å; R278-A280 PolarHBondContact O-N 3.41Å; R278-A280 VanDerWaalsContact O-N 3.12Å |
| 281 | Q | 55.5 | Low | 51.3 | Low | 159 Ų | 159 | 125.8 Ų | 125.8 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.8 | -36.3 | 168.4 | -70.3 | 175.1 | -7.3 | 0 | 0 | 110.9 | E277 R278 K283 | E277-Q281 WeakPolarHBondContact O-CG 3.38Å; E277-Q281 PolarHBondContact O-N 3.3Å; R278-Q281 PolarHBondContact O-N 3.11Å; Q281-K283 PolarHBondContact O-N 2.76Å |
| 282 | E | 52.5 | Low | 50.3 | Low | 83 Ų | 83 | 127.3 Ų | 127.3 | 39% | 0.388 | 59% | 0.593 | S | S | . | * | trans | -68.5 | 71.7 | 172.3 | -74.8 | 169.2 | -171.3 | 0 | 0 | 112.4 | R278 F284 | R278-E282 IonicContact NE-OE1 2.8Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.19Å; E282-F284 HydrophobicContact CB-CD2 3.84Å; E282-F284 HydrophobicContact CB-CE2 3.71Å; E282-F284 HydrophobicContact CG-CD2 4.47Å; E282-F284 HydrophobicContact CG-CE2 3.84Å; E282-F284 PolarHBondContact O-N 2.77Å | ||
| 283 | K | 43.1 | Very low | 49.3 | Very low | 193 Ų | 193 | 123.8 Ų | 123.8 | 84% | 0.839 | 58% | 0.582 | S | S | * | * | trans | -72.4 | 59.4 | 171.3 | -67.2 | 179.5 | -178.7 | 170.5 | 0 | 111.8 | Q281 | Q281-K283 PolarHBondContact O-N 2.76Š| ||
| 284 | F | 39 | Very low | 48.4 | Very low | 160 Ų | 160 | 119.5 Ų | 119.5 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | trans | -61.3 | 139.6 | 178.6 | -77.8 | -69.1 | 0 | 0 | 0 | 112.1 | E282 | E282-F284 HydrophobicContact CB-CD2 3.84Å; E282-F284 HydrophobicContact CB-CE2 3.71Å; E282-F284 HydrophobicContact CG-CD2 4.47Å; E282-F284 HydrophobicContact CG-CE2 3.84Å; E282-F284 PolarHBondContact O-N 2.77Å | ||
| 285 | P | 37.8 | Very low | 47.2 | Very low | 93 Ų | 93 | 118 Ų | 118 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | trans | -71.1 | 151.5 | 177.9 | 31.4 | -35.5 | 0 | 0 | 0 | 111 | L287 | P285-L287 HydrophobicContact CB-CD1 4.13Å; P285-L287 HydrophobicContact CB-CG 4.15Å; P285-L287 HydrophobicContact CG-CD1 4.41Å; P285-L287 PolarHBondContact O-N 2.95Å | ||
| 286 | R | 40.1 | Very low | 46 | Very low | 239 Ų | 239 | 122.1 Ų | 122.1 | 90% | 0.902 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -77 | 36.9 | -176 | -60 | 178.9 | 177.7 | 141.3 | -0.6 | 113.8 | ||
| 287 | L | 37.7 | Very low | 45.1 | Very low | 145 Ų | 145 | 115.2 Ų | 115.2 | 76% | 0.759 | 58% | 0.577 | S | S | * | * | trans | -100.7 | 7 | -165.3 | -66.2 | 177.6 | 0 | 0 | 0 | 115.1 | P285 | P285-L287 HydrophobicContact CB-CD1 4.13Å; P285-L287 HydrophobicContact CB-CG 4.15Å; P285-L287 HydrophobicContact CG-CD1 4.41Å; P285-L287 PolarHBondContact O-N 2.95Å | ||
| 288 | L | 35 | Very low | 44.1 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | trans | -115.3 | 97.1 | 161.7 | -67.5 | 176.2 | 0 | 0 | 0 | 108.6 | I292 | L288-I292 HydrophobicContact CD1-CD1 4.05Š| ||
| 289 | T | 35.7 | Very low | 43.2 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 63% | 0.632 | 58% | 0.575 | S | S | * | * | trans | -91.8 | 19.4 | 173.1 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 290 | T | 39 | Very low | 42.8 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -94.8 | 129.3 | 161.3 | -46.9 | 0 | 0 | 0 | 0 | 107.3 | I292 | T290-I292 PolarHBondContact O-N 2.87Š|
| 291 | K | 42.5 | Very low | 42.9 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | trans | -80.4 | 82.7 | -175.5 | -73 | -179.1 | -177.5 | 161.1 | 0 | 111.2 | G293 L294 L295 N296 | K291-G293 PolarHBondContact O-N 2.9Å; K291-L294 PolarHBondContact O-N 3.33Å; K291-L295 HydrophobicContact CD-CD1 3.81Å; K291-N296 PolarHBondContact NZ-OD1 3.4Å | ||
| 292 | I | 39.1 | Very low | 43.3 | Very low | 90 Ų | 90 | 105 Ų | 105 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37.6 | 118.8 | 174.3 | -55.7 | 169.7 | 0 | 0 | 0 | 110.6 | L252 L288 T290 L294 | L252-I292 HydrophobicContact CD2-CG2 4.14Å; L288-I292 HydrophobicContact CD1-CD1 4.05Å; T290-I292 PolarHBondContact O-N 2.87Å; I292-L294 PolarHBondContact O-N 3.36Å |
| 293 | G | 41.1 | Very low | 43.8 | Very low | 9 Ų | 9 | 105.5 Ų | 105.5 | 9% | 0.093 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -20.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | E249 K291 | E249-G293 PolarHBondContact OE2-N 3.5Å; K291-G293 PolarHBondContact O-N 2.9Å |
| 294 | L | 43.1 | Very low | 44.8 | Very low | 84 Ų | 84 | 99.3 Ų | 99.3 | 44% | 0.44 | 52% | 0.518 | S | S | . | . | trans | -144.5 | 90.2 | -170.7 | -66.6 | 176.3 | 0 | 0 | 0 | 114.1 | K291 I292 N296 Q298 | K291-L294 PolarHBondContact O-N 3.33Å; I292-L294 PolarHBondContact O-N 3.36Å; L294-N296 PolarHBondContact O-N 2.99Å; L294-Q298 WeakPolarHBondContact CA-O 3.38Å | ||
| 295 | L | 37.5 | Very low | 46.1 | Very low | 87 Ų | 87 | 93 Ų | 93 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 92 | 162.4 | -178.8 | 52.4 | 0 | 0 | 0 | 109.6 | K291 G297 Q298 | K291-L295 HydrophobicContact CD-CD1 3.81Å; L295-G297 VanDerWaalsContact C-N 3.33Å; L295-G297 PolarHBondContact O-N 2.82Å; L295-Q298 PolarHBondContact N-O 2.82Å; L295-Q298 PolarHBondContact O-N 3.44Å |
| 296 | N | 37.8 | Very low | 47.5 | Very low | 116 Ų | 116 | 88.8 Ų | 88.8 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 21.2 | 178.1 | -48.4 | -29.8 | 0 | 0 | 0 | 115.6 | K291 L294 | K291-N296 PolarHBondContact NZ-OD1 3.4Å; L294-N296 PolarHBondContact O-N 2.99Å |
| 297 | G | 44.1 | Very low | 48.6 | Very low | 53 Ų | 53 | 79.9 Ų | 79.9 | 55% | 0.546 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 1.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L295 | L295-G297 VanDerWaalsContact C-N 3.33Å; L295-G297 PolarHBondContact O-N 2.82Å |
| 298 | Q | 42.1 | Very low | 49.9 | Very low | 118 Ų | 118 | 76.7 Ų | 76.7 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -92.9 | 147.3 | 165.5 | -66 | -82 | -87 | 0 | 0 | 109.5 | L294 L295 | L294-Q298 WeakPolarHBondContact CA-O 3.38Å; L295-Q298 PolarHBondContact N-O 2.82Å; L295-Q298 PolarHBondContact O-N 3.44Å |
| 299 | P | 45.7 | Very low | 51.2 | Low | 81 Ų | 81 | 72 Ų | 72 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | trans | -60.5 | 151.6 | 167.2 | 29.1 | -35 | 0 | 0 | 0 | 109.8 | L250 S301 | L250-P299 HydrophobicContact CD2-CB 4.48Å; P299-S301 PolarHBondContact O-N 2.92Å; P299-S301 VanDerWaalsContact O-N 3.11Å | ||
| 300 | I | 52.8 | Low | 52.4 | Low | 32 Ų | 32 | 67.4 Ų | 67.4 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | trans | -71.3 | 109.5 | 173.8 | -53.1 | -177.7 | 0 | 0 | 0 | 107.7 | E249 R302 T304 V305 | E249-I300 VanDerWaalsContact OE2-CD1 3.3Å; E249-I300 WeakPolarHBondContact OE2-CD1 3.38Å; I300-R302 PolarHBondContact O-N 2.75Å; I300-T304 HydrophobicContact CG2-CG2 4.08Å; I300-V305 HydrophobicContact CG2-CG2 3.63Å | ||
| 301 | S | 60.1 | Low | 53.2 | Low | 71 Ų | 71 | 67 Ų | 67 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | trans | -55.6 | 137.3 | 171.7 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | P299 R303 T304 | P299-S301 PolarHBondContact O-N 2.92Å; P299-S301 VanDerWaalsContact O-N 3.11Å; S301-R303 PolarHBondContact O-N 2.91Å; S301-R303 VanDerWaalsContact O-N 3.14Å; S301-T304 WeakPolarHBondContact O-CB 3.5Å; S301-T304 PolarHBondContact O-N 3.5Å | ||
| 302 | R | 63.3 | Low | 53.8 | Low | 103 Ų | 103 | 65 Ų | 65 | 39% | 0.389 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -43.2 | -47.8 | 174.3 | -86 | -178.7 | 167.9 | 176.8 | 1.3 | 112.1 | E113 D243 L246 I300 T304 V305 Y306 | E113-R302 IonicContact OE1-NH1 2.69Å; E113-R302 PolarHBondContact OE1-NH1 3.37Å; D243-R302 IonicContact OD1-NE 3.24Å; L246-R302 HydrophobicContact CD1-CB 4.27Å; L246-R302 HydrophobicContact CD1-CG 3.73Å; L246-R302 HydrophobicContact CD2-CG 4.08Å; I300-R302 PolarHBondContact O-N 2.75Å; R302-T304 PolarHBondContact O-N 3.35Å; R302-T304 VanDerWaalsContact O-N 3.09Å; R302-V305 PolarHBondContact O-N 3.04Å; R302-Y306 HydrophobicContact CB-CD2 4.11Å; R302-Y306 HydrophobicContact CB-CE2 3.71Å; R302-Y306 WeakPolarHBondContact CD-OH 3.49Å; R302-Y306 HydrophobicContact CG-CE2 4.33Å; R302-Y306 WeakPolarHBondContact O-CB 3.18Å; R302-Y306 VanDerWaalsContact O-CG 3.27Å; R302-Y306 PolarHBondContact O-N 2.86Å |
| 303 | R | 63.3 | Low | 54.3 | Low | 92 Ų | 92 | 66.1 Ų | 66.1 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -46.6 | -39.5 | 174 | -177.1 | 175.5 | 170.9 | 115.7 | 5.5 | 113.6 | E106 S301 L307 | E106-R303 IonicContact OE1-CZ 2.62Å; E106-R303 IonicContact OE1-NH1 4Å; E106-R303 PolarHBondContact OE1-NH1 3.47Å; E106-R303 IonicContact OE1-NH2 3.68Å; E106-R303 PolarHBondContact OE1-NH2 2.81Å; E106-R303 IonicContact OE2-CZ 2.85Å; E106-R303 IonicContact OE2-NH1 3.81Å; E106-R303 PolarHBondContact OE2-NH1 3Å; E106-R303 IonicContact OE2-NH2 3.66Å; S301-R303 PolarHBondContact O-N 2.91Å; S301-R303 VanDerWaalsContact O-N 3.14Å; R303-L307 HydrophobicContact CG-CD1 3.75Å; R303-L307 HydrophobicContact CG-CG 4.19Å; R303-L307 WeakPolarHBondContact O-CB 3.01Å; R303-L307 WeakPolarHBondContact O-CG 3.32Å; R303-L307 PolarHBondContact O-N 3.28Å |
| 304 | T | 65 | Low | 54.7 | Low | 63 Ų | 63 | 71.2 Ų | 71.2 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | I300 S301 R302 S308 | I300-T304 HydrophobicContact CG2-CG2 4.08Å; S301-T304 WeakPolarHBondContact O-CB 3.5Å; S301-T304 PolarHBondContact O-N 3.5Å; R302-T304 PolarHBondContact O-N 3.35Å; R302-T304 VanDerWaalsContact O-N 3.09Å; T304-S308 WeakPolarHBondContact O-CB 3.28Å; T304-S308 PolarHBondContact O-N 3.43Å; T304-S308 PolarHBondContact O-OG 3.21Å |
| 305 | V | 64.6 | Low | 55.3 | Low | 29 Ų | 29 | 68.1 Ų | 68.1 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.7 | -48.4 | 176.8 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | A242 L246 I300 R302 L307 S308 A309 | A242-V305 HydrophobicContact CB-CG1 4.03Å; L246-V305 HydrophobicContact CB-CG2 4.43Å; L246-V305 HydrophobicContact CD1-CB 4.46Å; L246-V305 HydrophobicContact CD1-CG2 3.81Å; I300-V305 HydrophobicContact CG2-CG2 3.63Å; R302-V305 PolarHBondContact O-N 3.04Å; V305-L307 PolarHBondContact O-N 2.93Å; V305-S308 WeakPolarHBondContact O-CB 3.12Å; V305-S308 PolarHBondContact O-N 3.09Å; V305-S308 VanDerWaalsContact O-N 3.09Å; V305-A309 PolarHBondContact O-N 2.91Å |
| 306 | Y | 67.5 | Low | 56.3 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.016 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -55 | -49.7 | 175.7 | -68.6 | -15.5 | 0 | 0 | 0 | 113.1 | L109 Y112 E113 L239 A242 D243 R302 S308 A309 S310 | L109-Y306 HydrophobicContact CD1-CD2 4.08Å; L109-Y306 HydrophobicContact CD1-CG 4.27Å; L109-Y306 HydrophobicContact CD2-CD2 3.99Å; L109-Y306 HydrophobicContact CD2-CG 3.87Å; L109-Y306 HydrophobicContact CG-CD2 4.39Å; Y112-Y306 HydrophobicContact CE1-CE1 4.42Å; E113-Y306 HydrophobicContact CG-CE2 4.42Å; L239-Y306 HydrophobicContact CD2-CD1 3.84Å; L239-Y306 HydrophobicContact CD2-CE1 4.48Å; L239-Y306 HydrophobicContact CD2-CG 4.18Å; A242-Y306 HydrophobicContact CB-CD1 4.37Å; D243-Y306 WeakPolarHBondContact OD1-CE1 3.19Å; D243-Y306 PolarHBondContact OD1-OH 3.42Å; R302-Y306 HydrophobicContact CB-CD2 4.11Å; R302-Y306 HydrophobicContact CB-CE2 3.71Å; R302-Y306 WeakPolarHBondContact CD-OH 3.49Å; R302-Y306 HydrophobicContact CG-CE2 4.33Å; R302-Y306 WeakPolarHBondContact O-CB 3.18Å; R302-Y306 VanDerWaalsContact O-CG 3.27Å; R302-Y306 PolarHBondContact O-N 2.86Å; Y306-S308 VanDerWaalsContact C-N 3.28Å; Y306-S308 PolarHBondContact O-N 3.49Å; Y306-A309 PolarHBondContact O-N 2.9Å; Y306-S310 WeakPolarHBondContact O-CB 3.26Å; Y306-S310 PolarHBondContact O-N 2.96Å; Y306-S310 PolarHBondContact O-OG 2.62Å; Y306-S310 VanDerWaalsContact O-OG 3.06Å |
| 307 | L | 64.4 | Low | 57.3 | Low | 52 Ų | 52 | 67.6 Ų | 67.6 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 176.3 | -73.2 | 173.4 | 0 | 0 | 0 | 112.4 | I105 R303 V305 S311 | I105-L307 HydrophobicContact CB-CD2 4.34Å; I105-L307 HydrophobicContact CG2-CD2 3.61Å; R303-L307 HydrophobicContact CG-CD1 3.75Å; R303-L307 HydrophobicContact CG-CG 4.19Å; R303-L307 WeakPolarHBondContact O-CB 3.01Å; R303-L307 WeakPolarHBondContact O-CG 3.32Å; R303-L307 PolarHBondContact O-N 3.28Å; V305-L307 PolarHBondContact O-N 2.93Å; L307-S311 PolarHBondContact O-N 3.31Å |
| 308 | S | 64.7 | Low | 57.7 | Low | 78 Ų | 78 | 69.7 Ų | 69.7 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | T304 V305 Y306 S311 | T304-S308 WeakPolarHBondContact O-CB 3.28Å; T304-S308 PolarHBondContact O-N 3.43Å; T304-S308 PolarHBondContact O-OG 3.21Å; V305-S308 WeakPolarHBondContact O-CB 3.12Å; V305-S308 PolarHBondContact O-N 3.09Å; V305-S308 VanDerWaalsContact O-N 3.09Å; Y306-S308 VanDerWaalsContact C-N 3.28Å; Y306-S308 PolarHBondContact O-N 3.49Å; S308-S311 WeakPolarHBondContact O-CB 3.11Å; S308-S311 PolarHBondContact O-OG 3.41Å |
| 309 | A | 62.1 | Low | 57.8 | Low | 34 Ų | 34 | 68.3 Ų | 68.3 | 28% | 0.281 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R238 A242 V305 Y306 S311 | R238-A309 HydrophobicContact CG-CB 4.34Å; R238-A309 PolarHBondContact NH1-O 3.15Å; A242-A309 HydrophobicContact CB-CB 4.45Å; V305-A309 PolarHBondContact O-N 2.91Å; Y306-A309 PolarHBondContact O-N 2.9Å; A309-S311 PolarHBondContact O-N 2.85Å |
| 310 | S | 60.6 | Low | 57.6 | Low | 8 Ų | 8 | 72.8 Ų | 72.8 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.4 | -178.8 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | R238 Y306 S312 | R238-S310 VanDerWaalsContact NH1-CA 3.35Å; R238-S310 VanDerWaalsContact NH1-N 3.13Å; R238-S310 PolarHBondContact NH1-OG 2.97Å; R238-S310 PolarHBondContact NH2-OG 2.92Å; Y306-S310 WeakPolarHBondContact O-CB 3.26Å; Y306-S310 PolarHBondContact O-N 2.96Å; Y306-S310 PolarHBondContact O-OG 2.62Å; Y306-S310 VanDerWaalsContact O-OG 3.06Å; S310-S312 PolarHBondContact O-N 3.49Å; S310-S312 VanDerWaalsContact O-N 3.17Å |
| 311 | S | 56.2 | Low | 57 | Low | 92 Ų | 92 | 76.2 Ų | 76.2 | 64% | 0.643 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.5 | -177.6 | 64.2 | 0 | 0 | 0 | 0 | 115.5 | L307 S308 A309 D313 | L307-S311 PolarHBondContact O-N 3.31Å; S308-S311 WeakPolarHBondContact O-CB 3.11Å; S308-S311 PolarHBondContact O-OG 3.41Å; A309-S311 PolarHBondContact O-N 2.85Å; S311-D313 PolarHBondContact O-N 3.45Å |
| 312 | S | 55.4 | Low | 56 | Low | 68 Ų | 68 | 79.7 Ų | 79.7 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | trans | -93.5 | 73.9 | 167.7 | -71 | 0 | 0 | 0 | 0 | 110.7 | S310 S314 | S310-S312 PolarHBondContact O-N 3.49Å; S310-S312 VanDerWaalsContact O-N 3.17Å; S312-S314 PolarHBondContact O-N 3.39Å | ||
| 313 | D | 48.2 | Very low | 54.6 | Low | 115 Ų | 115 | 83.1 Ų | 83.1 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | trans | -71.6 | 98.1 | 173.3 | -170.1 | 25.5 | 0 | 0 | 0 | 110.1 | S311 | S311-D313 PolarHBondContact O-N 3.45Š| ||
| 314 | S | 51.1 | Low | 53.4 | Low | 116 Ų | 116 | 86.8 Ų | 86.8 | 81% | 0.811 | 51% | 0.51 | S | S | * | . | trans | -158.6 | 34.7 | 179.1 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | S312 | S312-S314 PolarHBondContact O-N 3.39Š| ||
| 315 | G | 54.1 | Low | 51.9 | Low | 18 Ų | 18 | 90.7 Ų | 90.7 | 19% | 0.186 | 53% | 0.529 | C | S | . | . | trans | -163.4 | 105.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R108 | R108-G315 PolarHBondContact NH1-O 3Š| ||
| 316 | D | 59.3 | Low | 50.6 | Low | 126 Ų | 126 | 97.8 Ų | 97.8 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 163.5 | 164.8 | -69 | -65.6 | 0 | 0 | 0 | 109.9 | H232 | H232-D316 PolarHBondContact CD2-O 3.43Š|
| 317 | Y | 59.4 | Low | 49.3 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 26% | 0.259 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 154.1 | 175.8 | -90.6 | -127.1 | 0 | 0 | 0 | 110.1 | R108 G230 H232 D235 S319 | R108-Y317 HydrophobicContact CG-CD2 4.49Å; R108-Y317 HydrophobicContact CG-CE2 3.58Å; G230-Y317 WeakPolarHBondContact O-CE1 3.36Å; H232-Y317 HydrophobicContact CB-CD2 4.17Å; H232-Y317 HydrophobicContact CB-CE2 3.53Å; H232-Y317 PolarHBondContact N-OH 2.83Å; D235-Y317 PolarHBondContact OD2-OH 2.9Å; Y317-S319 PolarHBondContact O-N 3.26Å; Y317-S319 VanDerWaalsContact O-N 3.16Å |
| 318 | P | 52 | Low | 47.9 | Very low | 98 Ų | 98 | 103.1 Ų | 103.1 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 121.9 | 158.6 | -17.6 | 31.1 | 0 | 0 | 0 | 107.9 | ||
| 319 | S | 43.9 | Very low | 46.8 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.6 | 171.3 | 47.7 | 0 | 0 | 0 | 0 | 109.2 | Y317 V321 | Y317-S319 PolarHBondContact O-N 3.26Å; Y317-S319 VanDerWaalsContact O-N 3.16Å; S319-V321 PolarHBondContact O-N 2.98Å; S319-V321 WeakPolarHBondContact OG-CG2 3.46Å |
| 320 | D | 40.8 | Very low | 45.8 | Very low | 175 Ų | 175 | 109.6 Ų | 109.6 | 94% | 0.936 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -69.3 | 73.5 | 174 | -69.4 | -48.7 | 0 | 0 | 0 | 111.3 | ||
| 321 | V | 40.9 | Very low | 44.7 | Very low | 103 Ų | 103 | 120 Ų | 120 | 62% | 0.624 | 68% | 0.675 | S | S | * | * | trans | -143.8 | 112.3 | 170.1 | -82.1 | 0 | 0 | 0 | 0 | 110.4 | S319 | S319-V321 PolarHBondContact O-N 2.98Å; S319-V321 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 322 | D | 38.6 | Very low | 43.5 | Very low | 145 Ų | 145 | 119 Ų | 119 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | trans | 62.1 | 124.9 | 162.3 | -54.8 | -46.4 | 0 | 0 | 0 | 119.9 | Q324 | D322-Q324 PolarHBondContact O-N 2.93Š| ||
| 323 | D | 35.4 | Very low | 42.6 | Very low | 174 Ų | 174 | 120.8 Ų | 120.8 | 93% | 0.93 | 69% | 0.691 | S | S | * | * | trans | -67.6 | 87.9 | 173.3 | -67.4 | -77 | 0 | 0 | 0 | 112.7 | ||||
| 324 | Q | 36.3 | Very low | 42.5 | Very low | 169 Ų | 169 | 119.7 Ų | 119.7 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -134 | 110.6 | 165.5 | -66.2 | -168.9 | 20.5 | 0 | 0 | 113.4 | D322 F326 | D322-Q324 PolarHBondContact O-N 2.93Å; Q324-F326 PolarHBondContact O-N 2.91Å | ||
| 325 | D | 34.7 | Very low | 42.8 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | trans | 48 | 61.4 | 150.7 | -61.5 | -18.2 | 0 | 0 | 0 | 118.7 | S327 | D325-S327 PolarHBondContact O-N 3.11Š| ||
| 326 | F | 38 | Very low | 42.9 | Very low | 178 Ų | 178 | 122.4 Ų | 122.4 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 62.5 | 164.5 | -165 | -98.5 | 0 | 0 | 0 | 112.7 | Q324 I329 | Q324-F326 PolarHBondContact O-N 2.91Å; F326-I329 HydrophobicContact CE2-CD1 4.11Å |
| 327 | S | 40.2 | Very low | 42.6 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -20.6 | 176.1 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | D325 | D325-S327 PolarHBondContact O-N 3.11Š|
| 328 | G | 34.3 | Very low | 42.2 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -94.4 | -2 | -166 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 329 | I | 41.9 | Very low | 42.4 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -92.8 | -8.9 | -170.4 | -63 | -180 | 0 | 0 | 0 | 113.5 | F326 | F326-I329 HydrophobicContact CE2-CD1 4.11Š|
| 330 | V | 41.3 | Very low | 43.2 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 65% | 0.648 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -90.2 | 149.3 | 166.5 | -170.5 | 0 | 0 | 0 | 0 | 109 | ||
| 331 | Y | 36.4 | Very low | 44.1 | Very low | 228 Ų | 228 | 115.4 Ų | 115.4 | 89% | 0.894 | 67% | 0.665 | S | S | * | * | trans | 78.7 | 15.2 | -176.2 | -54.4 | -78.9 | 0 | 0 | 0 | 117.8 | S333 | Y331-S333 PolarHBondContact O-N 3.25Å; Y331-S333 VanDerWaalsContact O-N 3.13Å | ||
| 332 | G | 32.1 | Very low | 44.8 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | trans | -65.9 | 106.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 333 | S | 36.4 | Very low | 46 | Very low | 105 Ų | 105 | 115.7 Ų | 115.7 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -56.8 | 133.8 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | Y331 T335 | Y331-S333 PolarHBondContact O-N 3.25Å; Y331-S333 VanDerWaalsContact O-N 3.13Å; S333-T335 PolarHBondContact O-N 3.45Å | ||
| 334 | P | 45.4 | Very low | 47 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 60% | 0.604 | 64% | 0.638 | S | S | * | * | trans | -67.3 | 107.2 | -172.2 | 27 | -34.6 | 0 | 0 | 0 | 110.6 | ||||
| 335 | T | 57 | Low | 47.7 | Very low | 93 Ų | 93 | 113.7 Ų | 113.7 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | trans | -49.9 | 144.9 | 175.2 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | S333 K337 A338 A339 | S333-T335 PolarHBondContact O-N 3.45Å; T335-K337 PolarHBondContact O-N 3.39Å; T335-A338 WeakPolarHBondContact O-CA 3.33Å; T335-A338 PolarHBondContact O-N 3.04Å; T335-A338 PolarHBondContact OG1-N 3.1Å; T335-A339 PolarHBondContact O-N 3.07Å | ||
| 336 | S | 56.2 | Low | 48.7 | Very low | 98 Ų | 98 | 111 Ų | 111 | 69% | 0.685 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -52.6 | -32.1 | -175.9 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | T340 | S336-T340 WeakPolarHBondContact O-CB 3.47Å; S336-T340 PolarHBondContact O-N 2.85Å; S336-T340 PolarHBondContact O-OG1 2.98Å |
| 337 | K | 54.1 | Low | 49.1 | Very low | 158 Ų | 158 | 113 Ų | 113 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.8 | -47.1 | 173.3 | -159.7 | 172.5 | -175.2 | 179.1 | 0 | 112.8 | T335 T340 I341 | T335-K337 PolarHBondContact O-N 3.39Å; K337-T340 PolarHBondContact O-N 2.94Å; K337-I341 HydrophobicContact CG-CD1 4.41Å; K337-I341 WeakPolarHBondContact O-CD1 3.45Å; K337-I341 VanDerWaalsContact O-CG1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.35Å; K337-I341 PolarHBondContact O-N 2.8Å |
| 338 | A | 49.2 | Very low | 48.8 | Very low | 49 Ų | 49 | 111.1 Ų | 111.1 | 41% | 0.405 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T335 T340 I341 R342 | T335-A338 WeakPolarHBondContact O-CA 3.33Å; T335-A338 PolarHBondContact O-N 3.04Å; T335-A338 PolarHBondContact OG1-N 3.1Å; A338-T340 VanDerWaalsContact C-N 3.34Å; A338-T340 PolarHBondContact O-N 3.37Å; A338-I341 PolarHBondContact O-N 3.38Å; A338-R342 WeakPolarHBondContact O-CB 3.44Å; A338-R342 PolarHBondContact O-N 2.9Å |
| 339 | A | 58.1 | Low | 48.9 | Very low | 44 Ų | 44 | 116.7 Ų | 116.7 | 36% | 0.364 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.5 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T335 R342 A343 | T335-A339 PolarHBondContact O-N 3.07Å; A339-R342 PolarHBondContact O-N 3.47Å; A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 2.83Å |
| 340 | T | 60.2 | Low | 48.7 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 42% | 0.423 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.5 | -45.2 | 176 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | S336 K337 A338 R342 A343 Q344 | S336-T340 WeakPolarHBondContact O-CB 3.47Å; S336-T340 PolarHBondContact O-N 2.85Å; S336-T340 PolarHBondContact O-OG1 2.98Å; K337-T340 PolarHBondContact O-N 2.94Å; A338-T340 VanDerWaalsContact C-N 3.34Å; A338-T340 PolarHBondContact O-N 3.37Å; T340-R342 VanDerWaalsContact C-N 3.33Å; T340-R342 PolarHBondContact O-N 2.99Å; T340-A343 PolarHBondContact O-N 3.49Å; T340-Q344 HydrophobicContact CG2-CG 4.35Å; T340-Q344 WeakPolarHBondContact O-CB 3.43Å; T340-Q344 VanDerWaalsContact O-CG 3.27Å; T340-Q344 WeakPolarHBondContact O-CG 3.31Å; T340-Q344 PolarHBondContact O-N 2.92Å |
| 341 | I | 58.9 | Low | 48.1 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 44% | 0.441 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.4 | -40 | 177.5 | -68.8 | 162.8 | 0 | 0 | 0 | 110.9 | K337 A338 Q344 R345 | K337-I341 HydrophobicContact CG-CD1 4.41Å; K337-I341 WeakPolarHBondContact O-CD1 3.45Å; K337-I341 VanDerWaalsContact O-CG1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.35Å; K337-I341 PolarHBondContact O-N 2.8Å; A338-I341 PolarHBondContact O-N 3.38Å; I341-Q344 PolarHBondContact O-N 3.36Å; I341-R345 PolarHBondContact O-N 2.86Å |
| 342 | R | 56.8 | Low | 47.9 | Very low | 206 Ų | 206 | 112 Ų | 112 | 78% | 0.777 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 176 | -158.9 | 174.3 | -167.6 | 165.1 | 3.8 | 111.6 | A338 A339 T340 R345 A346 | A338-R342 WeakPolarHBondContact O-CB 3.44Å; A338-R342 PolarHBondContact O-N 2.9Å; A339-R342 PolarHBondContact O-N 3.47Å; T340-R342 VanDerWaalsContact C-N 3.33Å; T340-R342 PolarHBondContact O-N 2.99Å; R342-R345 PolarHBondContact O-N 3.41Å; R342-A346 WeakPolarHBondContact O-CB 3.29Å; R342-A346 PolarHBondContact O-N 3.26Å |
| 343 | A | 63.7 | Low | 47.8 | Very low | 49 Ų | 49 | 112 Ų | 112 | 41% | 0.405 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.8 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A339 T340 A346 R347 | A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 2.83Å; T340-A343 PolarHBondContact O-N 3.49Å; A343-A346 PolarHBondContact O-N 2.85Å; A343-R347 WeakPolarHBondContact O-CB 3.48Å; A343-R347 WeakPolarHBondContact O-CG 3.42Å; A343-R347 PolarHBondContact O-N 3.27Å |
| 344 | Q | 56.8 | Low | 47.4 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -46.1 | 173.4 | -75.3 | 174.5 | 0.8 | 0 | 0 | 111.4 | T340 I341 A346 R347 A348 | T340-Q344 HydrophobicContact CG2-CG 4.35Å; T340-Q344 WeakPolarHBondContact O-CB 3.43Å; T340-Q344 VanDerWaalsContact O-CG 3.27Å; T340-Q344 WeakPolarHBondContact O-CG 3.31Å; T340-Q344 PolarHBondContact O-N 2.92Å; I341-Q344 PolarHBondContact O-N 3.36Å; Q344-A346 PolarHBondContact O-N 2.73Å; Q344-R347 PolarHBondContact O-N 3.33Å; Q344-A348 WeakPolarHBondContact O-CB 3.45Å; Q344-A348 PolarHBondContact O-N 3.44Å |
| 345 | R | 51 | Low | 46.9 | Very low | 175 Ų | 175 | 115.6 Ų | 115.6 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -59.5 | -43 | 172.7 | -77.6 | -171.7 | 175.2 | -161.9 | -0.3 | 111.8 | I341 R342 R347 A348 | I341-R345 PolarHBondContact O-N 2.86Å; R342-R345 PolarHBondContact O-N 3.41Å; R345-R347 PolarHBondContact O-N 2.73Å; R345-A348 PolarHBondContact O-N 2.76Å |
| 346 | A | 54.3 | Low | 45.7 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69 | -30.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R342 A343 Q344 | R342-A346 WeakPolarHBondContact O-CB 3.29Å; R342-A346 PolarHBondContact O-N 3.26Å; A343-A346 PolarHBondContact O-N 2.85Å; Q344-A346 PolarHBondContact O-N 2.73Å |
| 347 | R | 45.8 | Very low | 44.9 | Very low | 219 Ų | 219 | 122 Ų | 122 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -84.9 | -14.9 | 175.8 | -71.4 | 179.3 | 176 | -157.1 | -1.1 | 113.4 | A343 Q344 R345 K349 | A343-R347 WeakPolarHBondContact O-CB 3.48Å; A343-R347 WeakPolarHBondContact O-CG 3.42Å; A343-R347 PolarHBondContact O-N 3.27Å; Q344-R347 PolarHBondContact O-N 3.33Å; R345-R347 PolarHBondContact O-N 2.73Å; R347-K349 PolarHBondContact O-N 3.42Å |
| 348 | A | 35.7 | Very low | 44 | Very low | 67 Ų | 67 | 120.9 Ų | 120.9 | 55% | 0.554 | 66% | 0.659 | S | S | * | * | trans | -74.1 | 84 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q344 R345 | Q344-A348 WeakPolarHBondContact O-CB 3.45Å; Q344-A348 PolarHBondContact O-N 3.44Å; R345-A348 PolarHBondContact O-N 2.76Å | ||
| 349 | K | 35.6 | Very low | 43.3 | Very low | 180 Ų | 180 | 123 Ų | 123 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | trans | -50 | 135.8 | 161.3 | -65.6 | -179.8 | -179.2 | 178.2 | 0 | 108.5 | R347 I351 | R347-K349 PolarHBondContact O-N 3.42Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 2.87Å | ||
| 350 | P | 36.8 | Very low | 42.3 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -71.5 | 84.3 | -175.2 | 28.4 | -35.3 | 0 | 0 | 0 | 111.3 | L352 | P350-L352 HydrophobicContact CB-CG 4.33Å; P350-L352 PolarHBondContact O-N 3.19Å | ||
| 351 | I | 29.6 | Very low | 41 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | trans | -74.5 | 83.7 | 170 | -58.6 | 176.7 | 0 | 0 | 0 | 107 | K349 S353 | K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 2.87Å; I351-S353 PolarHBondContact O-N 2.9Å | ||
| 352 | L | 31.3 | Very low | 40.1 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | trans | -75.8 | 55.2 | 177.6 | -65.7 | 171.7 | 0 | 0 | 0 | 111.2 | P350 | P350-L352 HydrophobicContact CB-CG 4.33Å; P350-L352 PolarHBondContact O-N 3.19Å | ||
| 353 | S | 30.6 | Very low | 39 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -154 | 134.4 | 169.2 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | I351 | I351-S353 PolarHBondContact O-N 2.9Š|
| 354 | N | 29.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 71.5 | 53.6 | 168.9 | -43.7 | -30 | 0 | 0 | 0 | 117.4 | ||||
| 355 | A | 34.8 | Very low | 36.8 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 88% | 0.884 | 74% | 0.74 | S | S | * | * | trans | -101.7 | 137.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 356 | R | 31 | Very low | 35.9 | Very low | 260 Ų | 260 | 124.4 Ų | 124.4 | 98% | 0.981 | 74% | 0.735 | S | S | * | * | trans | -126.6 | 88.7 | -171.1 | -178.7 | 178.9 | 176.7 | 173.9 | -3 | 110 | ||||
| 357 | G | 39 | Very low | 35 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -139 | 164.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A359 | G357-A359 PolarHBondContact O-N 3.3Š| ||
| 358 | P | 36.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 122 Ų | 122 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.7 | -177.6 | 29.6 | -33.5 | 0 | 0 | 0 | 111.2 | ||
| 359 | A | 33.7 | Very low | 34.3 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 117.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G357 | G357-A359 PolarHBondContact O-N 3.3Š|
| 360 | I | 37.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69 | 130.6 | 173.9 | -60.6 | 175.9 | 0 | 0 | 0 | 108.5 | ||
| 361 | L | 32.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 120.3 | -179.8 | -66.9 | 172.6 | 0 | 0 | 0 | 110.2 | ||
| 362 | I | 40.3 | Very low | 34.4 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 54% | 0.544 | 75% | 0.752 | S | S | . | * | trans | -120.1 | 126.5 | 169.9 | -58.3 | 178.5 | 0 | 0 | 0 | 107.7 | T102 | T102-I362 HydrophobicContact CG2-CD1 3.8Š| ||
| 363 | G | 34.8 | Very low | 34.5 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 74.2 | 50.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | M365 | G363-M365 WeakPolarHBondContact O-CG 3.44Å; G363-M365 PolarHBondContact O-N 3.36Å |
| 364 | G | 36.6 | Very low | 34.5 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 65.8 | -3.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 365 | M | 36.6 | Very low | 34.9 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -87.2 | 115.2 | -171.8 | -69.5 | -179 | 75.3 | 0 | 0 | 113.5 | G363 S367 | G363-M365 WeakPolarHBondContact O-CG 3.44Å; G363-M365 PolarHBondContact O-N 3.36Å; M365-S367 PolarHBondContact O-N 2.97Å | ||
| 366 | T | 32.6 | Very low | 34.9 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 56% | 0.564 | 77% | 0.774 | S | S | * | * | trans | -73.1 | 120 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 367 | S | 34.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 117.6 | 174.2 | 51.9 | 0 | 0 | 0 | 0 | 112 | M365 S369 | M365-S367 PolarHBondContact O-N 2.97Å; S367-S369 PolarHBondContact O-N 3.43Å | ||
| 368 | I | 32.4 | Very low | 35.1 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -85.6 | 90.6 | 173.6 | -56.9 | 178.6 | 0 | 0 | 0 | 109 | L370 | I368-L370 PolarHBondContact O-N 2.62Š| ||
| 369 | S | 35.2 | Very low | 35.2 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -70 | 106 | 171.1 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | S367 C371 | S367-S369 PolarHBondContact O-N 3.43Å; S369-C371 PolarHBondContact O-N 3.35Å | ||
| 370 | L | 34.3 | Very low | 35.5 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 85.7 | 176.7 | -77.3 | 171.6 | 0 | 0 | 0 | 111.5 | I368 R372 | I368-L370 PolarHBondContact O-N 2.62Å; L370-R372 PolarHBondContact O-N 2.87Å; L370-R372 VanDerWaalsContact O-N 3.14Å | ||
| 371 | C | 33.1 | Very low | 35.2 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 116.5 | 174 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | S369 R373 | S369-C371 PolarHBondContact O-N 3.35Å; C371-R373 PolarHBondContact O-N 3.31Å |
| 372 | R | 36.7 | Very low | 35.7 | Very low | 239 Ų | 239 | 141.2 Ų | 141.2 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.8 | 166.8 | -83.6 | -171.3 | 171.4 | -140.2 | 1.2 | 108.8 | L370 N374 | L370-R372 PolarHBondContact O-N 2.87Å; L370-R372 VanDerWaalsContact O-N 3.14Å; R372-N374 PolarHBondContact O-N 3.08Å |
| 373 | R | 33.5 | Very low | 35.5 | Very low | 242 Ų | 242 | 141.3 Ų | 141.3 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.3 | 168.6 | -70.3 | -179.5 | 179 | 153.2 | 0.6 | 109 | C371 N375 | C371-R373 PolarHBondContact O-N 3.31Å; R373-N375 PolarHBondContact O-N 3.18Å |
| 374 | N | 31.5 | Very low | 35.8 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -64.5 | 105 | 163.9 | -79.5 | -9.6 | 0 | 0 | 0 | 108.6 | R372 | R372-N374 PolarHBondContact O-N 3.08Š| ||
| 375 | N | 35.9 | Very low | 36 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -86.3 | 121.8 | 169.1 | -168.2 | 35.9 | 0 | 0 | 0 | 108.6 | R373 Q377 | R373-N375 PolarHBondContact O-N 3.18Å; N375-Q377 PolarHBondContact O-N 3.12Å | ||
| 376 | K | 34.9 | Very low | 36.3 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -70.4 | 121.7 | -178.4 | -61.3 | 179.4 | -179.4 | -177.7 | 0 | 109.9 | ||||
| 377 | Q | 41.6 | Very low | 36.6 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -135.7 | 134.7 | 156.1 | -73.3 | -164.9 | -27.6 | 0 | 0 | 109.6 | N375 | N375-Q377 PolarHBondContact O-N 3.12Š| ||
| 378 | S | 33.8 | Very low | 36.9 | Very low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -77.6 | 140.5 | 176.8 | 45.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 379 | G | 38.8 | Very low | 37.5 | Very low | 73 Ų | 73 | 155.1 Ų | 155.1 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -169.3 | 124.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 380 | H | 38.2 | Very low | 37.9 | Very low | 195 Ų | 195 | 156.1 Ų | 156.1 | 90% | 0.903 | 84% | 0.835 | S | S | * | * | trans | -50.8 | 147.6 | -165.9 | -74.9 | -93.7 | 0 | 0 | 0 | 117.7 | ||||
| 381 | S | 33 | Very low | 38.3 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -76.9 | 144.9 | 163.4 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 382 | I | 40.8 | Very low | 38.7 | Very low | 178 Ų | 178 | 158 Ų | 158 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | -128.7 | 151.3 | 150.2 | 51.4 | 172.7 | 0 | 0 | 0 | 108.6 | ||||
| 383 | S | 36.8 | Very low | 39 | Very low | 109 Ų | 109 | 152.4 Ų | 152.4 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | trans | -133.7 | 151.9 | -167.7 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 384 | S | 41.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -135.1 | 151.8 | 153 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 385 | K | 39.9 | Very low | 39.9 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -119.8 | 140.8 | -173.8 | -69 | 174 | 178.8 | 169.6 | 0 | 110.6 | ||||
| 386 | G | 42.8 | Very low | 40.2 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -116.6 | 146.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 387 | R | 39.2 | Very low | 40.5 | Very low | 238 Ų | 238 | 137.2 Ų | 137.2 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -153 | 130 | -161.8 | -176.8 | -170 | -176.6 | -152.1 | 4 | 114.2 | ||||
| 388 | S | 41.8 | Very low | 40.5 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -169.9 | 121.9 | 153.1 | -88.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 389 | K | 43.9 | Very low | 40.8 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | 80.2 | 137.8 | 84.7 | -79.8 | -174.7 | 174.1 | -176.9 | 0 | 113.1 | |||||
| 390 | S | 44.5 | Very low | 40.8 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | cis | -176.4 | 142.6 | -20.1 | 41.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 391 | G | 42.3 | Very low | 41 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 152.8 | 110.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 392 | R | 41.9 | Very low | 41.3 | Very low | 242 Ų | 242 | 138.1 Ų | 138.1 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | 71.2 | 128 | 63.8 | -71.1 | -169 | 166.4 | -171.3 | -4.9 | 112.2 | |||||
| 393 | T | 42 | Very low | 41 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | cis | -152.5 | 159.1 | 15.7 | -12.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 394 | S | 41.6 | Very low | 41.2 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 8.5 | 147.7 | 153.6 | 51.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 395 | S | 42.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | cis | -159.3 | -149.7 | -6.1 | 41.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 396 | S | 43.5 | Very low | 41.1 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -166.3 | -170.6 | 2.7 | -9.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 397 | S | 41.3 | Very low | 41 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | -170.9 | 138.1 | -57.6 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 398 | G | 39.8 | Very low | 41 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | 94.7 | 152.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 399 | E | 40.5 | Very low | 40.9 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | cis | -162.1 | 121.2 | -14.2 | -148.5 | 156.3 | 130.3 | 0 | 0 | 107 | ||||
| 400 | S | 38.4 | Very low | 40.8 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | 89.8 | 144.2 | 64.3 | 116.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 401 | I | 43.5 | Very low | 40.5 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | 85.6 | 114.1 | 160.1 | -69.7 | 165.4 | 0 | 0 | 0 | 121.4 | ||||
| 402 | R | 39.1 | Very low | 40.2 | Very low | 227 Ų | 227 | 131.7 Ų | 131.7 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | 39.8 | 152.4 | 132.2 | -48.1 | 172.8 | -170.2 | 158.4 | 2 | 120.7 | ||||
| 403 | G | 35.3 | Very low | 40.1 | Very low | 59 Ų | 59 | 130 Ų | 130 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | cis | 156.7 | -173.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 404 | H | 41.3 | Very low | 39.9 | Very low | 155 Ų | 155 | 128 Ų | 128 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 72.4 | 159 | 176.3 | -55.2 | -51.2 | 0 | 0 | 0 | 116.2 | ||||
| 405 | R | 39.5 | Very low | 39.8 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | cis | -165.6 | 164.7 | -16.7 | -100.1 | 162.3 | -153.8 | -116.8 | 8.9 | 104.6 | ||||
| 406 | S | 39.6 | Very low | 39.6 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | 166.4 | 138 | -19.5 | -83.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 407 | S | 39.5 | Very low | 39.3 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | 72 | 167.2 | 158.1 | 89.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 408 | S | 38.8 | Very low | 39.1 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | cis | -156.7 | 165.1 | -0.4 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 409 | S | 41.5 | Very low | 38.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 66.6 | 155.9 | 159.4 | 82.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 410 | D | 40 | Very low | 38.8 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | cis | -163 | -178.4 | -4.4 | -135.4 | -23.9 | 0 | 0 | 0 | 108 | ||||
| 411 | R | 38 | Very low | 38.9 | Very low | 213 Ų | 213 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | cis | -147.8 | 169.9 | -6.1 | -165 | 162 | -76.5 | -176.8 | 1.1 | 109.4 | ||||
| 412 | S | 36.7 | Very low | 38.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -108.3 | 154.9 | -171.2 | -58.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 413 | Y | 39.9 | Very low | 38.4 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -152.5 | 164.4 | 134.7 | -139.3 | -99.1 | 0 | 0 | 0 | 115.2 | ||||
| 414 | S | 37.5 | Very low | 38.6 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 54% | 0.538 | 76% | 0.764 | S | S | . | * | trans | -99.8 | 179.1 | -170.3 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 415 | K | 40.2 | Very low | 38.7 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | -177.8 | 140.3 | 52.9 | -135.5 | 158 | -171 | 170 | 0 | 112.9 | |||||
| 416 | R | 38.3 | Very low | 38.6 | Very low | 236 Ų | 236 | 147.6 Ų | 147.6 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | 61.4 | 153.1 | 152.9 | -68 | 168.8 | -179.3 | -161.5 | -2 | 119.5 | ||||
| 417 | G | 36.4 | Very low | 38.4 | Very low | 64 Ų | 64 | 151.6 Ų | 151.6 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 175.5 | 170 | -6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 418 | S | 38.6 | Very low | 38.1 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 69.8 | 123.3 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 419 | R | 35.6 | Very low | 38 | Very low | 250 Ų | 250 | 156.5 Ų | 156.5 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | cis | 61.2 | 128.7 | 47.9 | -61.4 | -176.7 | 167.9 | -173.2 | -4 | 112 | ||||
| 420 | S | 38.3 | Very low | 37.6 | Very low | 128 Ų | 128 | 156.2 Ų | 156.2 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | cis | -148.6 | -178.3 | 5 | 62.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 421 | G | 39.1 | Very low | 37.5 | Very low | 62 Ų | 62 | 156.8 Ų | 156.8 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | cis | 176.1 | 156.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 422 | F | 34.8 | Very low | 37.1 | Very low | 195 Ų | 195 | 156.2 Ų | 156.2 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | 68.5 | 139.7 | 155.9 | -81.6 | -78.3 | 0 | 0 | 0 | 124.9 | ||||
| 423 | R | 37.3 | Very low | 37 | Very low | 227 Ų | 227 | 157.9 Ų | 157.9 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | 74.1 | 98.5 | 155.7 | -66.7 | 169.1 | -162.2 | -108.7 | 0.9 | 119.4 | ||||
| 424 | R | 39.9 | Very low | 36.7 | Very low | 231 Ų | 231 | 153.3 Ų | 153.3 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 157.1 | 154.2 | -65.9 | -179.6 | 172.4 | -162.9 | -1.7 | 111.4 | ||||
| 425 | P | 44 | Very low | 36.8 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | -105.1 | 161.8 | 127.1 | -16.6 | 33.3 | 0 | 0 | 0 | 113.6 | |||||
| 426 | K | 36.7 | Very low | 36.7 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -100.2 | 118.4 | 173.7 | -58.2 | 170.2 | -175.6 | 171.4 | 0 | 109.5 | ||||
| 427 | H | 36.4 | Very low | 36.6 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -142.7 | 114.5 | 159 | -74.1 | -67.8 | 0 | 0 | 0 | 110.9 | R429 | H427-R429 PolarHBondContact O-N 2.9Š| ||
| 428 | S | 31.9 | Very low | 36.7 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -78.5 | 100.5 | 169.6 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | V430 | S428-V430 PolarHBondContact O-N 2.92Å; S428-V430 VanDerWaalsContact O-N 3.15Å | ||
| 429 | R | 38.1 | Very low | 36.6 | Very low | 201 Ų | 201 | 151.4 Ų | 151.4 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -77.5 | 100.6 | 176.8 | -167.9 | 165.7 | 114.5 | 131.6 | -3.3 | 109.9 | H427 E431 | H427-R429 PolarHBondContact O-N 2.9Å; R429-E431 HydrophobicContact CG-CG 4.11Å; R429-E431 IonicContact CZ-OE1 3.12Å; R429-E431 IonicContact NE-OE1 2.75Å; R429-E431 PolarHBondContact NE-OE1 3.29Å; R429-E431 IonicContact NH2-OE1 2.67Å; R429-E431 PolarHBondContact NH2-OE1 3.48Å; R429-E431 PolarHBondContact O-N 3.13Å | ||
| 430 | V | 31.2 | Very low | 36.9 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 62% | 0.624 | 76% | 0.756 | S | S | * | * | trans | -70.8 | 111.3 | 164.2 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | S428 Y432 | S428-V430 PolarHBondContact O-N 2.92Å; S428-V430 VanDerWaalsContact O-N 3.15Å; V430-Y432 HydrophobicContact CG1-CD2 4.49Å; V430-Y432 HydrophobicContact CG1-CE2 4.22Å; V430-Y432 PolarHBondContact O-N 3.5Å | ||
| 431 | E | 39.6 | Very low | 37 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 58% | 0.584 | 75% | 0.751 | S | S | * | * | trans | -87.6 | 107.6 | 177.2 | -59.9 | -160.1 | 158.4 | 0 | 0 | 109.5 | R429 I433 | R429-E431 HydrophobicContact CG-CG 4.11Å; R429-E431 IonicContact CZ-OE1 3.12Å; R429-E431 IonicContact NE-OE1 2.75Å; R429-E431 PolarHBondContact NE-OE1 3.29Å; R429-E431 IonicContact NH2-OE1 2.67Å; R429-E431 PolarHBondContact NH2-OE1 3.48Å; R429-E431 PolarHBondContact O-N 3.13Å; E431-I433 PolarHBondContact O-N 3.38Å; E431-I433 VanDerWaalsContact O-N 3.1Å | ||
| 432 | Y | 29 | Very low | 36.7 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -72.4 | 99 | 172.9 | -69.3 | -93.4 | 0 | 0 | 0 | 109 | V430 T434 | V430-Y432 HydrophobicContact CG1-CD2 4.49Å; V430-Y432 HydrophobicContact CG1-CE2 4.22Å; V430-Y432 PolarHBondContact O-N 3.5Å; Y432-T434 VanDerWaalsContact C-N 3.33Å; Y432-T434 PolarHBondContact O-N 2.92Å | ||
| 433 | I | 35 | Very low | 36.9 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 91.8 | 170.9 | -59.6 | 177.9 | 0 | 0 | 0 | 107.9 | E431 T435 | E431-I433 PolarHBondContact O-N 3.38Å; E431-I433 VanDerWaalsContact O-N 3.1Å; I433-T435 HydrophobicContact CG2-CG2 3.85Å; I433-T435 PolarHBondContact O-N 3.3Å | ||
| 434 | T | 32.5 | Very low | 36.8 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | -87.6 | 93.6 | 167.3 | -56.8 | 0 | 0 | 0 | 0 | 108.6 | Y432 F436 | Y432-T434 VanDerWaalsContact C-N 3.33Å; Y432-T434 PolarHBondContact O-N 2.92Å; T434-F436 HydrophobicContact CG2-CD2 4.05Å; T434-F436 HydrophobicContact CG2-CE2 3.86Å | ||
| 435 | T | 39.6 | Very low | 36.9 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -102.2 | 109.9 | 166.3 | 43.5 | 0 | 0 | 0 | 0 | 108.9 | I433 | I433-T435 HydrophobicContact CG2-CG2 3.85Å; I433-T435 PolarHBondContact O-N 3.3Å | ||
| 436 | F | 38.3 | Very low | 36.5 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 58% | 0.575 | 76% | 0.755 | S | S | * | * | trans | -75.5 | 145.1 | 148.5 | -71.5 | -98.3 | 0 | 0 | 0 | 106.8 | K260 T434 | K260-F436 HydrophobicContact CB-CE1 3.97Å; K260-F436 HydrophobicContact CB-CZ 4.14Å; K260-F436 HydrophobicContact CD-CE1 3.79Å; K260-F436 HydrophobicContact CD-CZ 4.1Å; K260-F436 HydrophobicContact CG-CE1 4.32Å; K260-F436 HydrophobicContact CG-CZ 4.33Å; T434-F436 HydrophobicContact CG2-CD2 4.05Å; T434-F436 HydrophobicContact CG2-CE2 3.86Å | ||
| 437 | G | 35.7 | Very low | 36.4 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -88.2 | 160 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 438 | D | 39.7 | Very low | 36.1 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -120.8 | 122.9 | 150 | -67.7 | -57.3 | 0 | 0 | 0 | 105.1 | ||||
| 439 | N | 35.5 | Very low | 36.3 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -102.9 | 132.9 | 169.1 | -62.8 | -45.6 | 0 | 0 | 0 | 107.5 | ||||
| 440 | E | 41.6 | Very low | 35.9 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -140.1 | 107.9 | 147.2 | -74 | -167.9 | 162.8 | 0 | 0 | 108.3 | ||||
| 441 | D | 40.8 | Very low | 36 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | 64.4 | 125.8 | 130 | -50.7 | -19.8 | 0 | 0 | 0 | 122.3 | |||||
| 442 | N | 34.1 | Very low | 35.6 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -65.6 | 147.5 | 148.3 | -68 | -66.6 | 0 | 0 | 0 | 109.3 | ||||
| 443 | A | 38.1 | Very low | 35.7 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -132.6 | 133.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 444 | D | 36.3 | Very low | 35.6 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -62.3 | 144.5 | 175.9 | -55.7 | -95.4 | 0 | 0 | 0 | 111.4 | ||||
| 445 | D | 40.2 | Very low | 35.7 | Very low | 126 Ų | 126 | 143 Ų | 143 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | trans | -141.7 | 119.5 | 152.1 | -156.2 | -11.5 | 0 | 0 | 0 | 111.1 | R447 | D445-R447 PolarHBondContact O-N 2.94Å; D445-R447 IonicContact OD1-NE 3.13Å; D445-R447 PolarHBondContact OD1-NE 3.03Å; D445-R447 IonicContact OD2-NE 2.74Å | ||
| 446 | K | 36.2 | Very low | 35.4 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -75.4 | 120.2 | 172.9 | -61.5 | 169.2 | -178.4 | 173.2 | 0 | 108 | ||||
| 447 | R | 33.9 | Very low | 35.4 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -148.5 | 115.4 | 151 | -88.9 | 113.8 | -148.3 | -79.3 | 8.1 | 112.8 | D445 | D445-R447 PolarHBondContact O-N 2.94Å; D445-R447 IonicContact OD1-NE 3.13Å; D445-R447 PolarHBondContact OD1-NE 3.03Å; D445-R447 IonicContact OD2-NE 2.74Å | ||
| 448 | N | 31.3 | Very low | 35.5 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -54.5 | 136.5 | 148.7 | -62.1 | -23.2 | 0 | 0 | 0 | 109 | ||||
| 449 | N | 35.4 | Very low | 35.7 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -158.4 | 139.7 | 133.7 | -119.6 | -34.8 | 0 | 0 | 0 | 113.1 | G451 | N449-G451 PolarHBondContact O-N 3.28Š| ||
| 450 | N | 29.6 | Very low | 35.9 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -71.2 | 122.2 | 175.6 | -68.4 | -50.3 | 0 | 0 | 0 | 109.8 | ||||
| 451 | G | 34.8 | Very low | 35.6 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -124.6 | 50.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N449 | N449-G451 PolarHBondContact O-N 3.28Š| ||
| 452 | S | 31.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -63.7 | 136.5 | -164 | -52.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 453 | S | 30.4 | Very low | 35.4 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 70.4 | 147 | 161.5 | 78.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 454 | R | 32.3 | Very low | 35.3 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | -156.7 | 146.3 | 42.3 | -73.2 | -177.4 | 178.2 | 178.6 | -3.1 | 113.6 | ||||
| 455 | L | 34.2 | Very low | 35.4 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | 68.2 | 142.5 | 143.2 | -67 | 167.1 | 0 | 0 | 0 | 117.5 | ||||
| 456 | S | 33.6 | Very low | 35.3 | Very low | 88 Ų | 88 | 141 Ų | 141 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -162 | 152.5 | 1.1 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 457 | S | 38.4 | Very low | 35.4 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 66.4 | 152.8 | 148.9 | 51.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 458 | N | 39.1 | Very low | 35.4 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | cis | -157.2 | 140.2 | 14.8 | -136.9 | -7 | 0 | 0 | 0 | 113.3 | ||||
| 459 | K | 42.5 | Very low | 35.5 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | trans | 61.4 | 156.9 | 153.1 | -68.6 | 173.4 | -179 | -172.6 | 0 | 117.3 | ||||
| 460 | Q | 39.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -159.2 | 154.9 | -5.2 | -120.3 | 163.1 | -33.1 | 0 | 0 | 105.5 | ||||
| 461 | T | 35.9 | Very low | 35.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -151.5 | 151 | 28.4 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 462 | S | 36.5 | Very low | 35.7 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 41.1 | 156.2 | 139.8 | 61.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 463 | L | 34.1 | Very low | 35.8 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -175.3 | 140.8 | -19.1 | -97.1 | 166.4 | 0 | 0 | 0 | 103.3 | ||||
| 464 | F | 35.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | -169.8 | 151.4 | 57.2 | -100.3 | -71.8 | 0 | 0 | 0 | 110.7 | |||||
| 465 | D | 38.4 | Very low | 36.2 | Very low | 106 Ų | 106 | 126 Ų | 126 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | trans | 33.8 | 145.2 | 132.8 | -68.6 | 20 | 0 | 0 | 0 | 122.4 | ||||
| 466 | R | 37.5 | Very low | 36.3 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | cis | -166.9 | 158.7 | 4.6 | -121.8 | 172.3 | -156.9 | -138.4 | 0.9 | 113.1 | ||||
| 467 | N | 38 | Very low | 36.6 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 61 | 140.2 | 155.6 | -59.3 | -11.1 | 0 | 0 | 0 | 119.2 | ||||
| 468 | G | 34 | Very low | 36.7 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | cis | 164.4 | 135.5 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 469 | G | 34 | Very low | 37.4 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 78.7 | 151.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 470 | G | 34.5 | Very low | 37.8 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | 163 | 158.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 471 | L | 36.7 | Very low | 37.9 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 65.5 | 97.3 | 170.2 | -47.8 | -179.1 | 0 | 0 | 0 | 115.5 | ||||
| 472 | S | 33.3 | Very low | 38.5 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | 76.2 | 104.5 | 72.5 | 75.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 473 | G | 33.2 | Very low | 39 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -153.3 | 118 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 474 | S | 35.9 | Very low | 39.5 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -106.4 | 127.7 | -176.9 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 475 | F | 35.1 | Very low | 40.3 | Very low | 199 Ų | 199 | 118.3 Ų | 118.3 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | -134.3 | 119.6 | 166 | -79.2 | -75.2 | 0 | 0 | 0 | 109.8 | S477 | F475-S477 PolarHBondContact O-N 2.84Š| ||
| 476 | D | 36.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 116.3 Ų | 116.3 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -76.1 | 109.6 | 171.4 | -81.6 | -55.7 | 0 | 0 | 0 | 110.2 | ||||
| 477 | S | 39.3 | Very low | 41.5 | Very low | 110 Ų | 110 | 111.6 Ų | 111.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -122.6 | 101.6 | 167.2 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | F475 | F475-S477 PolarHBondContact O-N 2.84Š| ||
| 478 | K | 39.9 | Very low | 41.8 | Very low | 195 Ų | 195 | 107.6 Ų | 107.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.3 | 171.8 | -66.7 | 172.5 | -179.3 | 170.8 | 0 | 109.9 | ||
| 479 | P | 53.9 | Low | 42.3 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 144.6 | 165.3 | 28.9 | -34 | 0 | 0 | 0 | 110.2 | ||
| 480 | P | 51.8 | Low | 43.2 | Very low | 126 Ų | 126 | 106.7 Ų | 106.7 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70 | 164.9 | -180 | 28.8 | -34.8 | 0 | 0 | 0 | 112.9 | ||
| 481 | G | 41.8 | Very low | 43.9 | Very low | 62 Ų | 62 | 107.4 Ų | 107.4 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 154 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A483 | G481-A483 PolarHBondContact O-N 3Š|
| 482 | S | 47.8 | Very low | 44.4 | Very low | 117 Ų | 117 | 104 Ų | 104 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | cis | 60 | 20.3 | 47.8 | -161.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 483 | A | 47.5 | Very low | 45.3 | Very low | 68 Ų | 68 | 102.2 Ų | 102.2 | 56% | 0.562 | 68% | 0.678 | S | S | * | * | trans | -98.7 | -38.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G481 S485 A486 | G481-A483 PolarHBondContact O-N 3Å; A483-S485 PolarHBondContact O-N 2.89Å; A483-A486 PolarHBondContact O-N 2.9Å | ||
| 484 | A | 45.1 | Very low | 46.2 | Very low | 87 Ų | 87 | 106.8 Ų | 106.8 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.8 | A486 | A484-A486 VanDerWaalsContact C-N 3.32Å; A484-A486 PolarHBondContact O-N 3.17Å |
| 485 | S | 51.7 | Low | 46.8 | Very low | 91 Ų | 91 | 108.2 Ų | 108.2 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.6 | -18 | -177.7 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | A483 | A483-S485 PolarHBondContact O-N 2.89Å |
| 486 | A | 47.9 | Very low | 47.5 | Very low | 63 Ų | 63 | 105 Ų | 105 | 52% | 0.521 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -77.8 | -32.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A483 A484 | A483-A486 PolarHBondContact O-N 2.9Å; A484-A486 VanDerWaalsContact C-N 3.32Å; A484-A486 PolarHBondContact O-N 3.17Å |
| 487 | V | 53.1 | Low | 48 | Very low | 95 Ų | 95 | 102.1 Ų | 102.1 | 58% | 0.576 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.1 | -42.3 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | A489 S490 V491 | V487-A489 VanDerWaalsContact C-N 3.27Å; V487-A489 PolarHBondContact O-N 2.65Å; V487-S490 PolarHBondContact O-N 2.71Å; V487-V491 PolarHBondContact O-N 2.86Å |
| 488 | A | 45 | Very low | 48.2 | Very low | 67 Ų | 67 | 101.3 Ų | 101.3 | 55% | 0.554 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -58.5 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S490 | A488-S490 VanDerWaalsContact C-N 3.29Å; A488-S490 PolarHBondContact O-N 3.41Å |
| 489 | A | 45.2 | Very low | 48.3 | Very low | 69 Ų | 69 | 97.7 Ų | 97.7 | 57% | 0.57 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.6 | -16.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V487 S493 | V487-A489 VanDerWaalsContact C-N 3.27Å; V487-A489 PolarHBondContact O-N 2.65Å; A489-S493 PolarHBondContact O-OG 3.43Å |
| 490 | S | 51.9 | Low | 47.8 | Very low | 72 Ų | 72 | 97.2 Ų | 97.2 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -91.6 | -32.7 | -176.8 | -166.2 | 0 | 0 | 0 | 0 | 113.3 | V487 A488 | V487-S490 PolarHBondContact O-N 2.71Å; A488-S490 VanDerWaalsContact C-N 3.29Å; A488-S490 PolarHBondContact O-N 3.41Å |
| 491 | V | 48.7 | Very low | 47.3 | Very low | 85 Ų | 85 | 97.9 Ų | 97.9 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74.3 | -41 | -176.6 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | V487 S493 K494 | V487-V491 PolarHBondContact O-N 2.86Å; V491-S493 VanDerWaalsContact C-N 3.3Å; V491-S493 PolarHBondContact O-N 3.21Å; V491-K494 PolarHBondContact O-N 2.92Å |
| 492 | V | 48 | Very low | 47.3 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62 | -38.4 | -178 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | K494 L495 L496 | V492-K494 PolarHBondContact O-N 3.37Å; V492-L495 PolarHBondContact O-N 3.24Å; V492-L496 HydrophobicContact CG1-CD1 4.25Å |
| 493 | S | 51.5 | Low | 46.8 | Very low | 81 Ų | 81 | 105.7 Ų | 105.7 | 57% | 0.566 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.2 | -11.5 | -176.4 | -53.4 | 0 | 0 | 0 | 0 | 114.9 | A489 V491 | A489-S493 PolarHBondContact O-OG 3.43Å; V491-S493 VanDerWaalsContact C-N 3.3Å; V491-S493 PolarHBondContact O-N 3.21Å |
| 494 | K | 53 | Low | 46.5 | Very low | 173 Ų | 173 | 105.9 Ų | 105.9 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -100.1 | -14.1 | 179 | -77 | -172.7 | 174.2 | -179.1 | 0 | 114.9 | V491 V492 | V491-K494 PolarHBondContact O-N 2.92Å; V492-K494 PolarHBondContact O-N 3.37Å |
| 495 | L | 48.9 | Very low | 46.2 | Very low | 135 Ų | 135 | 111.7 Ų | 111.7 | 71% | 0.707 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -95.6 | -7.3 | -177.3 | -82.1 | 162.3 | 0 | 0 | 0 | 114.4 | V492 | V492-L495 PolarHBondContact O-N 3.24Å |
| 496 | L | 50.2 | Low | 45.7 | Very low | 133 Ų | 133 | 112.9 Ų | 112.9 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -105.5 | -3.5 | -175.4 | -68.3 | 169.4 | 0 | 0 | 0 | 114.5 | V492 | V492-L496 HydrophobicContact CG1-CD1 4.25Š|
| 497 | S | 45.4 | Very low | 45.2 | Very low | 105 Ų | 105 | 114.5 Ų | 114.5 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -94.5 | 10.4 | -174.4 | -54.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 498 | S | 44.4 | Very low | 44.6 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | -131.9 | 47.8 | -168.4 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 499 | T | 41.8 | Very low | 44.4 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | trans | -132.6 | 40.6 | 176.7 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | V501 | T499-V501 PolarHBondContact O-N 2.83Š| ||
| 500 | S | 42.8 | Very low | 44 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -88.2 | 75.8 | 174.2 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | V502 | S500-V502 PolarHBondContact O-N 3.18Å; S500-V502 VanDerWaalsContact O-N 3.09Å | ||
| 501 | V | 40.8 | Very low | 43.5 | Very low | 140 Ų | 140 | 126 Ų | 126 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -75.9 | 98.3 | -178.5 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | T499 | T499-V501 PolarHBondContact O-N 2.83Š| ||
| 502 | V | 42.6 | Very low | 43.1 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -99.5 | 132.4 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | S500 | S500-V502 PolarHBondContact O-N 3.18Å; S500-V502 VanDerWaalsContact O-N 3.09Å | ||
| 503 | K | 37.7 | Very low | 42.7 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -104.5 | 92.6 | -168.1 | -155.3 | 169.9 | -170.1 | 171.6 | 0 | 111.6 | ||||
| 504 | G | 40.6 | Very low | 42.4 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -99.8 | 158.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 505 | K | 39.1 | Very low | 41.9 | Very low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -132 | 112.2 | -177 | -69.3 | -178.8 | 177.4 | -177.5 | 0 | 112.8 | ||||
| 506 | S | 40.5 | Very low | 41.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 174.7 | 148.3 | 157.6 | 44.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 507 | S | 38.8 | Very low | 41 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | cis | 160.7 | 139.4 | -30.3 | 47.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 508 | F | 40.3 | Very low | 40.7 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 87.4 | 141.2 | 169.7 | -74.3 | -80.5 | 0 | 0 | 0 | 121.6 | ||||
| 509 | V | 41.2 | Very low | 40.6 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 48.2 | 117.3 | 167.8 | -115.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 510 | S | 36.7 | Very low | 40.5 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | cis | 84.5 | 95 | 26.6 | -47.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 511 | A | 40.8 | Very low | 40.4 | Very low | 109 Ų | 109 | 134 Ų | 134 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -158.7 | 166.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 512 | S | 41 | Very low | 40.4 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -148.9 | 161.5 | -165.6 | 65.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 513 | G | 39.5 | Very low | 40.4 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 134.6 | 124 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 514 | S | 44 | Very low | 40.5 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | 67.8 | 135.3 | 50.8 | -61 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 515 | K | 42.3 | Very low | 40.5 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | cis | -177.9 | 161.5 | -22.8 | -127.7 | -179.7 | -179.2 | -179.1 | 0 | 106.5 | ||||
| 516 | S | 42.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 66.6 | 165.7 | 168.7 | -74.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 517 | T | 38.2 | Very low | 40.7 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | -177.3 | 151.7 | -55.8 | 33.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 518 | R | 38.2 | Very low | 40.6 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 85.5 | 165.7 | 150.8 | -149.4 | -173 | 153.3 | 167.6 | -5.4 | 119.5 | E520 | R518-E520 IonicContact NE-OE1 2.72Å; R518-E520 IonicContact NH2-OE1 3.38Å | ||
| 519 | T | 42.5 | Very low | 40.5 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | 72.2 | 110.4 | 171.9 | 49.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 520 | E | 39.6 | Very low | 40.6 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | 78.3 | 138 | 73.8 | -73.2 | 159.9 | -143.3 | 0 | 0 | 111.5 | R518 | R518-E520 IonicContact NE-OE1 2.72Å; R518-E520 IonicContact NH2-OE1 3.38Å | |||
| 521 | S | 41.3 | Very low | 40.9 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | cis | -167.2 | -174.5 | -3.5 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 522 | H | 41.3 | Very low | 40.9 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 71.4 | 153.4 | 159.6 | -64.9 | -33.2 | 0 | 0 | 0 | 118.5 | ||||
| 523 | I | 41.9 | Very low | 40.9 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | cis | -164.7 | 157.8 | -21.8 | -120.5 | 169.3 | 0 | 0 | 0 | 111.6 | ||||
| 524 | R | 40.7 | Very low | 40.8 | Very low | 220 Ų | 220 | 151.6 Ų | 151.6 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 69 | 114.5 | 156.4 | -86.3 | 167.6 | -162.8 | -103 | 0.9 | 124.7 | ||||
| 525 | S | 39 | Very low | 40.8 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 63.7 | 132 | 122.9 | 64.1 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 526 | S | 38.1 | Very low | 40.5 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -64.3 | -175.2 | 157.1 | -27.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 527 | P | 47 | Very low | 40.5 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -141.7 | 178.4 | 9 | 41.6 | -21.4 | 0 | 0 | 0 | 118.5 | ||||
| 528 | S | 35.5 | Very low | 40.4 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 48.5 | 133.9 | 147.8 | 62.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 529 | F | 39.5 | Very low | 40.4 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | 174.4 | 169.1 | 117.2 | -104.7 | -70.7 | 0 | 0 | 0 | 114.5 | |||||
| 530 | S | 43.5 | Very low | 40.2 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 100.1 | 125.4 | 154.4 | 76.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 531 | D | 41.4 | Very low | 40.1 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 166.6 | 173 | -54 | -110 | 0 | 0 | 0 | 114.8 | ||||
| 532 | R | 41.9 | Very low | 40 | Very low | 235 Ų | 235 | 162.5 Ų | 162.5 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | -172.8 | 113.6 | 111.2 | -95.8 | 151.5 | -157.2 | -120.9 | 4.3 | 116 | |||||
| 533 | R | 40.5 | Very low | 39.8 | Very low | 237 Ų | 237 | 165.5 Ų | 165.5 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | 46.4 | 133.6 | 133.5 | -59.3 | -173.9 | 177.2 | -129 | -3.5 | 122.2 | ||||
| 534 | R | 36.9 | Very low | 39.6 | Very low | 227 Ų | 227 | 170.9 Ų | 170.9 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -72.7 | 165.2 | 155.7 | -64.3 | 179.9 | 171.9 | -155.9 | -2.3 | 111.9 | ||||
| 535 | P | 44.3 | Very low | 39.4 | Very low | 126 Ų | 126 | 165.3 Ų | 165.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -138.7 | 176 | 115.5 | 38.5 | -27.6 | 0 | 0 | 0 | 114.9 | |||||
| 536 | L | 36.2 | Very low | 39.4 | Very low | 150 Ų | 150 | 166.2 Ų | 166.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -104.1 | 149.5 | 168.9 | -63.6 | 162.8 | 0 | 0 | 0 | 109 | ||||
| 537 | Q | 42 | Very low | 39.5 | Very low | 183 Ų | 183 | 165.8 Ų | 165.8 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | 172.1 | 147.5 | 126.3 | -98.5 | -170.6 | 47.7 | 0 | 0 | 116.5 | |||||
| 538 | S | 37.7 | Very low | 39.2 | Very low | 85 Ų | 85 | 171.7 Ų | 171.7 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | 59.3 | 112.1 | 135 | -58.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 539 | R | 38.2 | Very low | 39.2 | Very low | 242 Ų | 242 | 172.4 Ų | 172.4 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | 75.5 | 130.3 | 121.8 | -74.3 | 178.7 | 156 | -166.2 | -3.3 | 122.6 | |||||
| 540 | S | 37.2 | Very low | 39.2 | Very low | 90 Ų | 90 | 167.4 Ų | 167.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | 100.3 | 108.2 | 128.1 | -168 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 541 | R | 37.5 | Very low | 38.9 | Very low | 222 Ų | 222 | 166.7 Ų | 166.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | 38.5 | 132.9 | 129.6 | -46.3 | 169.1 | -172.2 | 170 | 2.3 | 119.6 | |||||
| 542 | Y | 39.5 | Very low | 38.8 | Very low | 230 Ų | 230 | 170.7 Ų | 170.7 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | -158.4 | 177 | 106.7 | -114.3 | -80.5 | 0 | 0 | 0 | 111.3 | |||||
| 543 | R | 36.4 | Very low | 38.7 | Very low | 229 Ų | 229 | 170.3 Ų | 170.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -127.2 | 146.9 | -171.3 | -64.8 | 176.9 | 173.8 | 178.6 | -1.8 | 112.7 | ||||
| 544 | R | 38.5 | Very low | 38.6 | Very low | 245 Ų | 245 | 162.4 Ų | 162.4 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -168.9 | 128.6 | 141.9 | -103.1 | 170.9 | -176.4 | -168.4 | 1.1 | 108.2 | ||||
| 545 | S | 37.1 | Very low | 38.7 | Very low | 102 Ų | 102 | 159.5 Ų | 159.5 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | 110.2 | 82 | 0.7 | 87.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 546 | T | 39.6 | Very low | 38.5 | Very low | 128 Ų | 128 | 158 Ų | 158 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -142.4 | 106.6 | 156.9 | 39.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 547 | S | 39.5 | Very low | 38.7 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 61.6 | 127.8 | 89.6 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 548 | R | 39.5 | Very low | 38.6 | Very low | 233 Ų | 233 | 156.7 Ų | 156.7 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | cis | -163.1 | 146.9 | 17.3 | -123.4 | 166.4 | -179.2 | 177.8 | -0.8 | 111.4 | ||||
| 549 | S | 37.1 | Very low | 38.5 | Very low | 107 Ų | 107 | 156.3 Ų | 156.3 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 58.1 | 149 | 143.3 | -59.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 550 | S | 38.1 | Very low | 38.6 | Very low | 92 Ų | 92 | 149.8 Ų | 149.8 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -177.2 | 140.1 | -21.8 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 551 | S | 37.5 | Very low | 38.8 | Very low | 97 Ų | 97 | 156 Ų | 156 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 62.1 | 154.5 | 150.8 | 49.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 552 | R | 38.9 | Very low | 38.8 | Very low | 223 Ų | 223 | 151.2 Ų | 151.2 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | cis | -162.9 | 146.1 | -8.6 | -109.1 | 161.4 | -163.7 | -174.4 | 4.8 | 108.6 | ||||
| 553 | R | 40.1 | Very low | 38.7 | Very low | 227 Ų | 227 | 150.1 Ų | 150.1 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | 36.6 | 145.6 | 127.9 | -66 | -173.2 | -177.8 | -158.5 | -0 | 119.9 | |||||
| 554 | S | 37.9 | Very low | 38.7 | Very low | 71 Ų | 71 | 149.6 Ų | 149.6 | 50% | 0.497 | 75% | 0.747 | S | S | . | * | cis | 178.9 | 161 | 13.6 | -117.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 555 | H | 39.9 | Very low | 38.5 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 61.3 | 120.3 | 149.5 | -48.4 | -37.1 | 0 | 0 | 0 | 120.2 | ||||
| 556 | S | 39.6 | Very low | 38.5 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | 77.9 | 146.2 | 74.2 | 101.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 557 | S | 40.2 | Very low | 38.2 | Very low | 69 Ų | 69 | 155.9 Ų | 155.9 | 48% | 0.483 | 75% | 0.75 | S | S | . | * | cis | -168.7 | 166.2 | 6.8 | 81.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 558 | R | 40 | Very low | 38 | Very low | 238 Ų | 238 | 156.4 Ų | 156.4 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | trans | 56.5 | 136.1 | 147.4 | -64.3 | 168 | 178.1 | -177.4 | 0 | 121.5 | ||||
| 559 | G | 37 | Very low | 37.7 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -179.2 | 29 | 170.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 560 | S | 40.6 | Very low | 37.7 | Very low | 104 Ų | 104 | 158 Ų | 158 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 25.6 | 132.8 | 149 | -97.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 561 | R | 39.7 | Very low | 37.5 | Very low | 222 Ų | 222 | 164.5 Ų | 164.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | 91.4 | 141 | 134.7 | -68.3 | 166.4 | -179.8 | 178.3 | -1.4 | 122.8 | ||||
| 562 | N | 38.1 | Very low | 37.3 | Very low | 121 Ų | 121 | 167 Ų | 167 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | trans | 87.1 | 107.8 | 142.6 | -78.6 | -16.6 | 0 | 0 | 0 | 123.1 | ||||
| 563 | R | 36.6 | Very low | 37.2 | Very low | 207 Ų | 207 | 161.4 Ų | 161.4 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | 47.3 | 110.4 | 116.5 | -59.9 | 172.7 | 173.1 | -176.8 | -3.3 | 118.5 | |||||
| 564 | R | 37.6 | Very low | 37.1 | Very low | 217 Ų | 217 | 157.7 Ų | 157.7 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | -175.6 | 149.9 | 97.3 | -100.3 | 160.5 | -177.2 | -173.5 | 0.1 | 114 | Y566 | R564-Y566 HydrophobicContact CB-CD2 4.42Š| |||
| 565 | R | 34.2 | Very low | 37.1 | Very low | 221 Ų | 221 | 158.9 Ų | 158.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 118.3 | 173.1 | 169.1 | -160.7 | -73.2 | 170.2 | -7.4 | 108.9 | ||||
| 566 | Y | 36.5 | Very low | 37 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | -141 | 144.4 | 163.1 | -86.9 | -76.3 | 0 | 0 | 0 | 111.8 | R564 | R564-Y566 HydrophobicContact CB-CD2 4.42Š| ||
| 567 | H | 32.8 | Very low | 36.9 | Very low | 185 Ų | 185 | 161.8 Ų | 161.8 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -93.2 | 135 | 166.5 | -75.9 | -1.8 | 0 | 0 | 0 | 109.6 | ||||
| 568 | S | 36.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 162.5 Ų | 162.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -156.1 | 151.5 | 156.7 | 48.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 569 | R | 33.8 | Very low | 36.8 | Very low | 246 Ų | 246 | 161.5 Ų | 161.5 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | trans | -110.8 | 108.8 | -178.1 | -62.7 | 167.4 | 174.7 | 159.6 | -5.9 | 110.1 | ||||
| 570 | T | 36.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 168.9 Ų | 168.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -158.8 | 127.2 | 159.6 | 27 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 571 | R | 32.9 | Very low | 36.7 | Very low | 227 Ų | 227 | 169 Ų | 169 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | 68.9 | 109.5 | 63.6 | -88.8 | -169 | 169.5 | -175.6 | -2 | 115.2 | |||||
| 572 | N | 33.9 | Very low | 36.8 | Very low | 149 Ų | 149 | 162.2 Ų | 162.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 72.9 | 153.7 | 146.1 | -76.7 | 20.1 | 0 | 0 | 0 | 121.7 | ||||
| 573 | S | 37 | Very low | 36.9 | Very low | 107 Ų | 107 | 165.8 Ų | 165.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 79.4 | 146.2 | 160.1 | 83.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 574 | N | 37.6 | Very low | 37 | Very low | 149 Ų | 149 | 165.7 Ų | 165.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | cis | -158.4 | 152.6 | 2.4 | -135.1 | -6.1 | 0 | 0 | 0 | 114.4 | ||||
| 575 | S | 37.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 164.9 Ų | 164.9 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | 66.6 | 154.6 | 153.3 | -143.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 576 | S | 38.2 | Very low | 37.4 | Very low | 91 Ų | 91 | 163.1 Ų | 163.1 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -149.5 | 142.1 | 15.4 | -51.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 577 | R | 37.7 | Very low | 37.7 | Very low | 231 Ų | 231 | 162.2 Ų | 162.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | 55.6 | 145 | 132.8 | -68.4 | 176.3 | 173.6 | 156.6 | -3.5 | 121.1 | ||||
| 578 | S | 40 | Very low | 37.9 | Very low | 84 Ų | 84 | 164.4 Ų | 164.4 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | cis | -175.1 | 161.3 | -7.5 | 44.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 579 | Y | 38.6 | Very low | 38 | Very low | 217 Ų | 217 | 164.1 Ų | 164.1 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 79 | 144.7 | 170.8 | -58.7 | -76.2 | 0 | 0 | 0 | 117.1 | ||||
| 580 | R | 37.7 | Very low | 38.5 | Very low | 231 Ų | 231 | 158.1 Ų | 158.1 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | cis | -145.7 | 123.2 | 8.5 | -153.4 | 176.5 | -173.3 | -151.2 | 5 | 108 | ||||
| 581 | S | 38.2 | Very low | 38.6 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | 51.1 | 131.1 | 97.5 | -110.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 582 | S | 41 | Very low | 38.9 | Very low | 80 Ų | 80 | 156.8 Ų | 156.8 | 56% | 0.559 | 75% | 0.752 | S | S | * | * | cis | -161.2 | 170.2 | 14.7 | -71.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 583 | Y | 39.6 | Very low | 39 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | 74.6 | 140.9 | 156.2 | -59.9 | -48.7 | 0 | 0 | 0 | 119.6 | ||||
| 584 | R | 39.3 | Very low | 39 | Very low | 206 Ų | 206 | 164.7 Ų | 164.7 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | cis | -143.8 | 133 | -16 | -93.4 | 165 | -160.7 | -149 | 4 | 106.1 | ||||
| 585 | R | 40.4 | Very low | 39 | Very low | 200 Ų | 200 | 162.5 Ų | 162.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | 61.5 | 120.2 | 74.9 | -173.7 | -176.4 | -86.5 | -152 | -2 | 111.4 | |||||
| 586 | Y | 40.1 | Very low | 38.8 | Very low | 183 Ų | 183 | 168.3 Ų | 168.3 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | cis | -147 | -158.5 | 16.9 | -123.3 | -24.6 | 0 | 0 | 0 | 110.9 | ||||
| 587 | K | 42.6 | Very low | 38.8 | Very low | 182 Ų | 182 | 171.4 Ų | 171.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | -141.7 | -100 | 9.1 | -150 | 169.4 | -174.8 | 178.3 | 0 | 114.8 | ||||
| 588 | R | 37.4 | Very low | 38.7 | Very low | 231 Ų | 231 | 171.1 Ų | 171.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -173.3 | 172.3 | -162.6 | -81.5 | -175.9 | -178.4 | 168.1 | -3.1 | 109 | ||||
| 589 | S | 37.5 | Very low | 38.5 | Very low | 108 Ų | 108 | 172 Ų | 172 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -175.1 | 167.7 | -25.2 | -82.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 590 | P | 45.1 | Very low | 38.3 | Very low | 120 Ų | 120 | 166.6 Ų | 166.6 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -107.4 | 157.8 | -160 | 39.7 | -36.2 | 0 | 0 | 0 | 118.7 | ||||
| 591 | N | 39 | Very low | 38.2 | Very low | 137 Ų | 137 | 161.2 Ų | 161.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -171.9 | 168.4 | 159.6 | -98 | -32.2 | 0 | 0 | 0 | 107 | ||||
| 592 | R | 38.3 | Very low | 38.2 | Very low | 190 Ų | 190 | 160.2 Ų | 160.2 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -172.6 | 152.2 | -36.4 | -160 | -174.7 | -72.2 | -158.2 | -1.7 | 106.6 | ||||
| 593 | Y | 37.1 | Very low | 38.2 | Very low | 191 Ų | 191 | 167.4 Ų | 167.4 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 74.3 | 123.5 | 157.4 | -86.5 | -57.5 | 0 | 0 | 0 | 124.4 | ||||
| 594 | R | 35.9 | Very low | 38.1 | Very low | 230 Ų | 230 | 169 Ų | 169 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | 91.2 | 148.2 | 127.8 | -107.6 | 174.5 | -178.1 | -171.7 | 0.6 | 123.2 | |||||
| 595 | S | 37.9 | Very low | 38.1 | Very low | 103 Ų | 103 | 163 Ų | 163 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 59.4 | 126.3 | 174.7 | -92.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 596 | R | 34.2 | Very low | 38 | Very low | 217 Ų | 217 | 159.3 Ų | 159.3 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | cis | 83.5 | 143 | 37.6 | -81.3 | -165.4 | 167.2 | -177.3 | -1.7 | 115 | ||||
| 597 | H | 37.6 | Very low | 38 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 71.9 | 156 | 177.5 | -53 | -85.9 | 0 | 0 | 0 | 114.6 | ||||
| 598 | R | 35 | Very low | 37.9 | Very low | 225 Ų | 225 | 153.9 Ų | 153.9 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | cis | -171.2 | 159.8 | -46.8 | -135.5 | -173 | -173.3 | -167.4 | 1.7 | 105.9 | ||||
| 599 | S | 35.1 | Very low | 38 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 77.7 | 133.2 | 157.5 | -50.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 600 | S | 34.6 | Very low | 38.1 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 75 | 98.7 | 135.4 | -58.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 601 | S | 35.4 | Very low | 37.8 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 78.7 | 167.5 | 110.6 | 79.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 602 | S | 38.5 | Very low | 37.8 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | 91.9 | 118.6 | 157.2 | 153.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 603 | R | 40.7 | Very low | 38.1 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | 67.7 | 158 | 146.8 | -62.3 | 172.9 | -176.7 | 171 | 0.4 | 116.5 | ||||
| 604 | R | 39.4 | Very low | 38.3 | Very low | 230 Ų | 230 | 138.7 Ų | 138.7 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | cis | -161.5 | -175.8 | -18.1 | -112.9 | -151.1 | 155.4 | 178.2 | -5.3 | 106.7 | ||||
| 605 | S | 38.6 | Very low | 38.6 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | 178.7 | 125.8 | -69.3 | 61 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 606 | C | 37.9 | Very low | 38.6 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -178.2 | 146.5 | 165.7 | 30.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 607 | S | 40.9 | Very low | 38.9 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | cis | 155.3 | 147.8 | -15.9 | 47.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 608 | D | 40.1 | Very low | 39 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | cis | -166 | 173.5 | -12.1 | -113 | -86.1 | 0 | 0 | 0 | 106.6 | ||||
| 609 | S | 39.6 | Very low | 39.3 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | cis | -132.5 | -116.5 | 3 | 31.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 610 | S | 38.5 | Very low | 39.6 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | cis | -168.7 | 164.2 | -10.2 | -6 | 0 | 0 | 0 | 0 | 108 | ||||
| 611 | T | 39 | Very low | 40 | Very low | 123 Ų | 123 | 133 Ų | 133 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | cis | -168.2 | 142 | -33.8 | 22.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 612 | S | 40.4 | Very low | 40.1 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | 65.8 | 140.5 | 158.5 | -102.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 613 | T | 44 | Very low | 40.2 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | cis | -163.3 | 146.4 | -13.6 | -2.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 614 | D | 42 | Very low | 40 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | 46.5 | 152.5 | 137.7 | -73.7 | 25 | 0 | 0 | 0 | 123.3 | ||||
| 615 | N | 40.8 | Very low | 40 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | cis | -163.3 | 148 | 1.4 | -123.6 | -35.7 | 0 | 0 | 0 | 114.9 | ||||
| 616 | R | 39.3 | Very low | 39.8 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | trans | 68.8 | 142.1 | 138.4 | -79.3 | 159.3 | -160.1 | -141.2 | -3.7 | 126.6 | ||||
| 617 | K | 40.1 | Very low | 40.6 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | 72.9 | 128.1 | 152.6 | -69 | 171.6 | 177.6 | -175.2 | 0 | 117.7 | ||||
| 618 | S | 39.9 | Very low | 40.5 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | cis | 85.9 | 138.3 | 38.1 | 81.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 619 | N | 40.6 | Very low | 40.5 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 44% | 0.444 | 72% | 0.723 | S | S | . | * | cis | -164.2 | 155.5 | 21.9 | 179.5 | 49.2 | 0 | 0 | 0 | 113.7 | ||||
| 620 | Y | 41.6 | Very low | 40.2 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | 66.1 | 171.7 | 154.7 | -23.3 | -72.2 | 0 | 0 | 0 | 118.7 | ||||
| 621 | D | 42.1 | Very low | 40.2 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -150.3 | -175.4 | -12.7 | -141.2 | -33.3 | 0 | 0 | 0 | 113.1 | ||||
| 622 | R | 37.5 | Very low | 40 | Very low | 213 Ų | 213 | 141.2 Ų | 141.2 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -63.8 | -174.2 | -178.2 | -59.5 | 149.1 | 168.4 | -179.4 | -3.3 | 116 | ||||
| 623 | V | 40.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | cis | -158.3 | 158.1 | 16.1 | -146.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 624 | S | 36.8 | Very low | 39.7 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 61.5 | 163.2 | 149 | -81.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 625 | S | 39.3 | Very low | 39.5 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | cis | -158.3 | 161.6 | -11.3 | 37.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 626 | N | 36.1 | Very low | 39.4 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -81.6 | -174.8 | 175.5 | -74.8 | -36.3 | 0 | 0 | 0 | 113.2 | ||||
| 627 | P | 53.4 | Low | 39.2 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -136.2 | 177.4 | -48.8 | 38.4 | -23.2 | 0 | 0 | 0 | 113.7 | ||||
| 628 | S | 38 | Very low | 38.8 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 176.4 | 139.9 | 132.3 | -85.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 629 | T | 40.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 55.5 | 121 | 141.7 | 61.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 630 | R | 35 | Very low | 38.8 | Very low | 239 Ų | 239 | 147.7 Ų | 147.7 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | 100.8 | 145.8 | 125 | -113 | 179 | 173.9 | -177.1 | -4.5 | 121.9 | |||||
| 631 | S | 37.8 | Very low | 38.5 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 67.4 | 122.7 | 169.2 | -36.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 632 | F | 35.1 | Very low | 38.4 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | 48 | 118.3 | 68.5 | -77.2 | -91 | 0 | 0 | 0 | 111.7 | |||||
| 633 | N | 37.8 | Very low | 38.3 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -153.7 | -178.7 | 49.3 | -138.5 | -13.5 | 0 | 0 | 0 | 115.6 | ||||
| 634 | Q | 39.7 | Very low | 38.3 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -42.8 | 165.7 | -175.6 | -68.6 | 156.4 | 72.7 | 0 | 0 | 121.6 | ||||
| 635 | N | 38.6 | Very low | 38.6 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 78 | 121.8 | 159.2 | -60.6 | -16 | 0 | 0 | 0 | 119 | ||||
| 636 | P | 38 | Very low | 38.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132.8 | 170.9 | 34.5 | -30.6 | 0 | 0 | 0 | 111.6 | ||
| 637 | L | 35.7 | Very low | 38.7 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 149.6 | 162.3 | -131.9 | 76.4 | 0 | 0 | 0 | 109.9 | ||
| 638 | C | 30.4 | Very low | 37.9 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 138.6 | 164.5 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 639 | E | 40.1 | Very low | 38 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -171.5 | 156.4 | 130.6 | -114.5 | -177.6 | -156.6 | 0 | 0 | 117.5 | ||||
| 640 | Q | 40.1 | Very low | 38.3 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | 71.5 | 155.6 | 154.4 | -67.4 | 178.5 | 45.1 | 0 | 0 | 120.9 | ||||
| 641 | N | 35.3 | Very low | 38.6 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -122.5 | 147.9 | -156.6 | -69.7 | -72.1 | 0 | 0 | 0 | 113.3 | ||||
| 642 | A | 40.3 | Very low | 38.9 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -151.6 | 84.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 643 | V | 36.6 | Very low | 39.3 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | -0.6 | 122.4 | 129.2 | 168.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 644 | I | 38.7 | Very low | 40.3 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | cis | -139.3 | -136.7 | -14.6 | -26.2 | 171.3 | 0 | 0 | 0 | 107.8 | ||||
| 645 | Q | 45 | Very low | 40.7 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -138.2 | 165.1 | 4 | -84.4 | -169.1 | 2.9 | 0 | 0 | 110.5 | ||||
| 646 | P | 38.7 | Very low | 40.9 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -110.9 | 146.1 | -163.6 | 38.7 | -31.2 | 0 | 0 | 0 | 116.7 | ||||
| 647 | N | 37.3 | Very low | 41.2 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -163.3 | 158.6 | 138.8 | -140.7 | -34.2 | 0 | 0 | 0 | 115.2 | ||||
| 648 | V | 37.9 | Very low | 41.5 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | 56.9 | 63.3 | 165.1 | -155.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 649 | Q | 39.1 | Very low | 41.9 | Very low | 197 Ų | 197 | 149 Ų | 149 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76 | 134.6 | 158.8 | -69.7 | -171.5 | 0.5 | 0 | 0 | 111.5 | ||
| 650 | K | 46.2 | Very low | 41.8 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 126.8 | 170.3 | -86.7 | 175.9 | 175.2 | 165.1 | 0 | 110.2 | ||
| 651 | Q | 42.1 | Very low | 41.7 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -49 | 129.4 | 174 | -73.8 | -69.4 | -14.4 | 0 | 0 | 112 | ||
| 652 | P | 44.1 | Very low | 42 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.9 | 174.7 | 28.3 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 653 | S | 43.6 | Very low | 41.7 | Very low | 91 Ų | 91 | 155.1 Ų | 155.1 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 133 | 174.8 | -57.3 | 0 | 0 | 0 | 0 | 110 | ||
| 654 | P | 58.9 | Low | 42 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 152.1 | 176 | 26.5 | -34.8 | 0 | 0 | 0 | 111.4 | V656 | P654-V656 PolarHBondContact O-N 2.9Š|
| 655 | P | 49.2 | Very low | 42 | Very low | 101 Ų | 101 | 153.9 Ų | 153.9 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 129.1 | -174.4 | 23.3 | -33.2 | 0 | 0 | 0 | 112 | R657 | P655-R657 PolarHBondContact O-N 3.38Š|
| 656 | V | 41.1 | Very low | 41.6 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -74 | 90.7 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | P654 K658 | P654-V656 PolarHBondContact O-N 2.9Å; V656-K658 PolarHBondContact O-N 3.2Å | ||
| 657 | R | 45.8 | Very low | 41.5 | Very low | 214 Ų | 214 | 155.6 Ų | 155.6 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -56.6 | 108.3 | 171.1 | -61.9 | -175.2 | 77.6 | -170.8 | 3.8 | 108.8 | P655 R659 | P655-R657 PolarHBondContact O-N 3.38Å; R657-R659 PolarHBondContact O-N 2.93Å | ||
| 658 | K | 41.4 | Very low | 41.4 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | trans | -62.1 | 91.1 | 178.9 | -68.3 | -179.2 | -177.8 | 174.3 | 0 | 110.1 | V656 Y660 | V656-K658 PolarHBondContact O-N 3.2Å; K658-Y660 HydrophobicContact CB-CD2 4.2Å; K658-Y660 HydrophobicContact CB-CE2 3.86Å; K658-Y660 HydrophobicContact CD-CE2 4.11Å; K658-Y660 PolarHBondContact O-N 3.41Å; K658-Y660 VanDerWaalsContact O-N 3.11Å | ||
| 659 | R | 38.8 | Very low | 41.6 | Very low | 207 Ų | 207 | 154.5 Ų | 154.5 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -76 | 93.9 | 171.3 | -72.5 | -177.5 | 179 | -108.4 | 7.5 | 109 | R657 Y661 | R657-R659 PolarHBondContact O-N 2.93Å; R659-Y661 PolarHBondContact O-N 3.32Å | ||
| 660 | Y | 38.4 | Very low | 41.8 | Very low | 203 Ų | 203 | 153.9 Ų | 153.9 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -70.6 | 80 | 164.3 | -72.2 | -91 | 0 | 0 | 0 | 109.5 | K658 | K658-Y660 HydrophobicContact CB-CD2 4.2Å; K658-Y660 HydrophobicContact CB-CE2 3.86Å; K658-Y660 HydrophobicContact CD-CE2 4.11Å; K658-Y660 PolarHBondContact O-N 3.41Å; K658-Y660 VanDerWaalsContact O-N 3.11Å | ||
| 661 | Y | 38 | Very low | 41.5 | Very low | 197 Ų | 197 | 155.1 Ų | 155.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -74.9 | 123.6 | 156.6 | -104.5 | -90.6 | 0 | 0 | 0 | 107.6 | R659 P663 | R659-Y661 PolarHBondContact O-N 3.32Å; Y661-P663 WeakPolarHBondContact O-CD 3.46Å | ||
| 662 | R | 40.3 | Very low | 41.6 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -99.2 | 105.1 | 170 | 175 | -177.7 | 176.5 | 150 | 4.2 | 107.7 | E664 | R662-E664 VanDerWaalsContact C-N 3.3Å; R662-E664 PolarHBondContact NE-O 2.9Å; R662-E664 PolarHBondContact O-N 3.14Å | ||
| 663 | P | 35.3 | Very low | 41.3 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -96.5 | 40.1 | -178.5 | 39.6 | -34.7 | 0 | 0 | 0 | 111.8 | Y661 | Y661-P663 WeakPolarHBondContact O-CD 3.46Š| ||
| 664 | E | 41.9 | Very low | 41 | Very low | 102 Ų | 102 | 156.8 Ų | 156.8 | 48% | 0.477 | 78% | 0.778 | S | S | . | * | trans | -137.9 | 96 | 177.6 | -70.9 | -174.1 | -136.4 | 0 | 0 | 108.7 | R662 R779 | R662-E664 VanDerWaalsContact C-N 3.3Å; R662-E664 PolarHBondContact NE-O 2.9Å; R662-E664 PolarHBondContact O-N 3.14Å; E664-R779 IonicContact OE1-CZ 2.71Å; E664-R779 VanDerWaalsContact OE1-CZ 3.27Å; E664-R779 IonicContact OE1-NH1 3.21Å; E664-R779 PolarHBondContact OE1-NH1 3.14Å; E664-R779 IonicContact OE1-NH2 3.19Å; E664-R779 PolarHBondContact OE1-NH2 3.26Å | ||
| 665 | L | 38.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 159.8 Ų | 159.8 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 155.9 | 65.5 | 159.7 | -87.7 | 168.8 | 0 | 0 | 0 | 110.8 | ||
| 666 | E | 37.8 | Very low | 39.6 | Very low | 202 Ų | 202 | 163.4 Ų | 163.4 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -162 | 65.9 | 171.2 | -131.1 | 170.6 | -126.9 | 0 | 0 | 111.5 | ||||
| 667 | S | 34.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 164.6 Ų | 164.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -158.5 | 40.6 | 171.5 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 668 | A | 35.6 | Very low | 39.3 | Very low | 87 Ų | 87 | 163 Ų | 163 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -152.8 | 91.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 669 | D | 43.1 | Very low | 38.8 | Very low | 165 Ų | 165 | 160.2 Ų | 160.2 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -178.6 | 164.8 | 140.2 | -87.5 | -23.2 | 0 | 0 | 0 | 108.7 | ||||
| 670 | E | 43.8 | Very low | 38.8 | Very low | 183 Ų | 183 | 157.3 Ų | 157.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 56.4 | 90.2 | -178.5 | -65.7 | -173 | -154.5 | 0 | 0 | 117.3 | ||||
| 671 | F | 39.4 | Very low | 38.7 | Very low | 221 Ų | 221 | 151.9 Ų | 151.9 | 97% | 0.969 | 78% | 0.784 | S | S | * | * | -138.8 | 142.7 | 107.3 | -118.3 | -82 | 0 | 0 | 0 | 109.7 | |||||
| 672 | E | 43 | Very low | 38.7 | Very low | 159 Ų | 159 | 151 Ų | 151 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -118 | 168.9 | -158.5 | -160.9 | -169.4 | -134.1 | 0 | 0 | 112.5 | ||||
| 673 | L | 39.3 | Very low | 38.6 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 86 | 135.4 | 159.5 | -53.2 | 173.4 | 0 | 0 | 0 | 119.9 | ||||
| 674 | S | 36.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 86.4 | 64.1 | 153.3 | -40.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 675 | D | 35.1 | Very low | 38.5 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | -99.4 | 124.5 | 139.1 | -88.9 | -41.4 | 0 | 0 | 0 | 107.6 | ||||
| 676 | E | 44 | Very low | 38.4 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -133.5 | 157.2 | 177.8 | -98.9 | -67.6 | 177.3 | 0 | 0 | 110.5 | ||||
| 677 | E | 38.2 | Very low | 38.4 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -72.1 | 143.7 | -158.2 | -58.3 | -170.4 | 148.8 | 0 | 0 | 115.3 | ||||
| 678 | Q | 41.5 | Very low | 38.6 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | 179.4 | 142.2 | 98.3 | -95.5 | 168.4 | 24.8 | 0 | 0 | 114 | |||||
| 679 | S | 32.2 | Very low | 38.7 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -82.4 | 139.6 | 163.6 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 680 | D | 38.9 | Very low | 38.5 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | -161.8 | -178.1 | 115.2 | -135.8 | -47.6 | 0 | 0 | 0 | 113.4 | |||||
| 681 | T | 35.8 | Very low | 38.1 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 55% | 0.546 | 76% | 0.762 | S | S | . | * | trans | -96.5 | 158 | -150.6 | 49.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 682 | K | 38.4 | Very low | 38 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | 81 | 141.9 | 152.8 | -65 | 140 | -169.9 | 141.5 | 0 | 119.7 | ||||
| 683 | K | 37.5 | Very low | 37.7 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | trans | 70.9 | 147.8 | 153.6 | -74.8 | -172.2 | 172.7 | -171.5 | 0 | 118.5 | ||||
| 684 | E | 35.5 | Very low | 37.5 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -164.8 | 140.1 | -29 | -131.1 | 163.6 | -170.9 | 0 | 0 | 110.6 | ||||
| 685 | S | 38.4 | Very low | 37.8 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 73.2 | 158.5 | 159.7 | 89.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 686 | S | 37.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 63.6 | 104.7 | 148.6 | -48.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 687 | K | 38.9 | Very low | 37.5 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | cis | 100.1 | 121.3 | 21.1 | -165.6 | -179.3 | -179.4 | 169 | 0 | 115.7 | ||||
| 688 | S | 36.8 | Very low | 37.4 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | 65.4 | 150.5 | 165.5 | 40.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 689 | S | 38.9 | Very low | 37 | Very low | 61 Ų | 61 | 128 Ų | 128 | 43% | 0.427 | 73% | 0.733 | S | S | . | * | cis | -162.6 | 166.2 | -3 | 42.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 690 | D | 37.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -21.5 | 151.8 | 160.3 | -34.5 | -76 | 0 | 0 | 0 | 118.8 | ||||
| 691 | G | 36 | Very low | 37.1 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | 165.1 | 66.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 692 | N | 37.7 | Very low | 36.9 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 39.5 | 138.6 | 136 | -169 | 36.3 | 0 | 0 | 0 | 124.1 | ||||
| 693 | S | 36.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 81.5 | 157.7 | 150.1 | 80.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 694 | G | 35.2 | Very low | 36.8 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 113.7 | 68.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 695 | K | 43.4 | Very low | 36.8 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | 61.4 | 109.5 | 86.4 | -75.9 | -172.4 | 176.4 | 177.7 | 0 | 116 | |||||
| 696 | Q | 37.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | 68.2 | 163 | 151.9 | -53 | -177.9 | 9.7 | 0 | 0 | 114.4 | ||||
| 697 | L | 34.8 | Very low | 36.5 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | cis | -132.6 | 169.7 | 16.1 | -77.2 | 160 | 0 | 0 | 0 | 112.5 | ||||
| 698 | T | 36.2 | Very low | 36.4 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 22.8 | 148.9 | 144.6 | 59.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 699 | S | 34.4 | Very low | 36.4 | Very low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | cis | 176.5 | 172 | -9.5 | 58.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 700 | R | 36.9 | Very low | 36.2 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 66.6 | 162.1 | 170.8 | -51.9 | 162 | -172.8 | -147.9 | -0.5 | 113.2 | ||||
| 701 | R | 35.4 | Very low | 36.2 | Very low | 237 Ų | 237 | 138.8 Ų | 138.8 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | cis | -151.8 | -173.5 | -39.2 | -113.9 | -178 | 178.2 | -168.9 | -1.1 | 105.3 | ||||
| 702 | S | 32.3 | Very low | 36.3 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -63.3 | -176.6 | 172 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 703 | D | 37.4 | Very low | 36.6 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | 81.9 | 141.6 | 165.1 | -39.3 | -33.7 | 0 | 0 | 0 | 114.4 | ||||
| 704 | S | 35.7 | Very low | 36.6 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -165.5 | 169.5 | -20.5 | 55.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 705 | N | 35.8 | Very low | 36.8 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 63.9 | 165.2 | 166 | -65.5 | -20.8 | 0 | 0 | 0 | 116.5 | ||||
| 706 | S | 34.4 | Very low | 36.5 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | cis | -161.5 | -179.8 | -34.8 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 707 | Y | 35.8 | Very low | 36.7 | Very low | 230 Ų | 230 | 145.3 Ų | 145.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 143.2 | 179.9 | -44.3 | -79.6 | 0 | 0 | 0 | 114.9 | ||||
| 708 | G | 36.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -164.6 | 146.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 709 | N | 37.1 | Very low | 37 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 142.8 | -172.7 | -52.7 | -57.3 | 0 | 0 | 0 | 113.1 | ||||
| 710 | F | 34.2 | Very low | 37.1 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | -161.1 | 134 | 112.5 | -130.3 | -105.6 | 0 | 0 | 0 | 112.6 | |||||
| 711 | A | 38.1 | Very low | 37.3 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 65.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K713 | A711-K713 PolarHBondContact O-N 2.87Š| ||
| 712 | G | 37.2 | Very low | 37.4 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 117.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 713 | K | 43.9 | Very low | 37.7 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87 | 123.2 | 166.1 | -74.9 | -179.7 | 177.6 | 174.7 | 0 | 109.6 | A711 | A711-K713 PolarHBondContact O-N 2.87Š|
| 714 | M | 35.7 | Very low | 38 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 98% | 0.975 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 129.4 | 174.3 | -73.7 | -176.5 | 166.7 | 0 | 0 | 111.7 | ||
| 715 | T | 39.6 | Very low | 38 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | -145.5 | 137.7 | 150.4 | -167.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 716 | S | 38.2 | Very low | 38.5 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -165.9 | 123.6 | 177.2 | -83.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 717 | Q | 40.5 | Very low | 38.7 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | 166.9 | 114.6 | 123.8 | -91.7 | 177.6 | 25.8 | 0 | 0 | 109.8 | |||||
| 718 | Q | 39.3 | Very low | 39.1 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | -179.5 | 136.6 | 128.5 | -100.9 | 175.7 | 11.1 | 0 | 0 | 111.5 | |||||
| 719 | L | 39.1 | Very low | 39.3 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | 49.8 | 105.5 | 146 | -56.4 | 164.6 | 0 | 0 | 0 | 117.3 | ||||
| 720 | V | 37.2 | Very low | 39.5 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | cis | 73.7 | 86.3 | 47 | -170.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 721 | T | 41.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | 163.7 | 144.8 | 149.1 | 38.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 722 | G | 37.1 | Very low | 39.7 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | cis | 150.1 | 92.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 723 | G | 37.9 | Very low | 40 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 163.5 | 132.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 724 | P | 43.2 | Very low | 39.7 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -119.8 | 141.8 | -170.3 | 39.2 | -28.8 | 0 | 0 | 0 | 117.7 | ||||
| 725 | S | 37.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 61.3 | 173.6 | 139.4 | -51 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 726 | P | 45.6 | Very low | 39.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -131.7 | 172.4 | -5.6 | 43.7 | -28.3 | 0 | 0 | 0 | 116.9 | ||||
| 727 | S | 38.7 | Very low | 39.8 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | 28.4 | 131.2 | 145.2 | 62 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 728 | H | 43.2 | Very low | 39.6 | Very low | 182 Ų | 182 | 126.8 Ų | 126.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -151.9 | 172.7 | 109.8 | -144.8 | -90.4 | 0 | 0 | 0 | 112.2 | |||||
| 729 | D | 41.5 | Very low | 39.7 | Very low | 109 Ų | 109 | 123 Ų | 123 | 58% | 0.583 | 80% | 0.795 | S | S | * | * | trans | -104 | 155.8 | -147.9 | -77.8 | -75.4 | 0 | 0 | 0 | 120.3 | ||||
| 730 | L | 40.1 | Very low | 39.9 | Very low | 145 Ų | 145 | 121.9 Ų | 121.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 32.6 | 111.5 | 136.1 | -54.7 | 167.2 | 0 | 0 | 0 | 120.2 | ||||
| 731 | K | 40.5 | Very low | 40.7 | Very low | 206 Ų | 206 | 127 Ų | 127 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | 176.4 | 147.3 | 104.1 | -96.7 | 166.9 | -178.3 | 173 | 0 | 113.8 | |||||
| 732 | T | 37.4 | Very low | 41 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -112.4 | 173 | 164.8 | 52.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 733 | P | 43.1 | Very low | 42.2 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | cis | -121.6 | 165.1 | -7.6 | 38.8 | -25.2 | 0 | 0 | 0 | 114.1 | ||||
| 734 | G | 38.5 | Very low | 43.9 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | -155.6 | 138.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 735 | V | 38.7 | Very low | 45.4 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | -101.9 | 92.5 | -168.4 | -178.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 736 | V | 38.2 | Very low | 47.4 | Very low | 150 Ų | 150 | 126 Ų | 126 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | trans | -159.7 | 154.5 | 159.5 | -116.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 737 | G | 37.8 | Very low | 49.1 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 85.2 | 85.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | A739 | G737-A739 PolarHBondContact O-N 3.49Š| ||
| 738 | S | 35.3 | Very low | 51 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | -76.2 | 86.9 | 167.3 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | V740 | S738-V740 PolarHBondContact O-N 3.12Š| ||
| 739 | A | 43.1 | Very low | 53 | Low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | trans | -72.6 | 91 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G737 R741 | G737-A739 PolarHBondContact O-N 3.49Å; A739-R741 PolarHBondContact O-N 2.71Å | ||
| 740 | V | 43.2 | Very low | 55.3 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -64.6 | 102.6 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | S738 S742 | S738-V740 PolarHBondContact O-N 3.12Å; V740-S742 VanDerWaalsContact C-N 3.28Å; V740-S742 PolarHBondContact O-N 3.19Å | ||
| 741 | R | 53.3 | Low | 57.4 | Low | 240 Ų | 240 | 123.1 Ų | 123.1 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | trans | -67.7 | 88.2 | 168.7 | -74.6 | -170.9 | 174.5 | -164.4 | -1.5 | 109.7 | A739 L743 | A739-R741 PolarHBondContact O-N 2.71Å; R741-L743 PolarHBondContact O-N 3.45Å; R741-L743 VanDerWaalsContact O-N 3.09Å | ||
| 742 | S | 48.4 | Very low | 59.7 | Low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | trans | -58.4 | 110 | 171 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | V740 M744 | V740-S742 VanDerWaalsContact C-N 3.28Å; V740-S742 PolarHBondContact O-N 3.19Å; S742-M744 PolarHBondContact O-N 3.25Å | ||
| 743 | L | 60.6 | Low | 62.3 | Low | 69 Ų | 69 | 118.7 Ų | 118.7 | 36% | 0.361 | 67% | 0.667 | S | S | . | * | trans | -57.1 | 131.5 | 171.2 | -80.1 | 163.5 | 0 | 0 | 0 | 108.4 | R741 E747 L748 | R741-L743 PolarHBondContact O-N 3.45Å; R741-L743 VanDerWaalsContact O-N 3.09Å; L743-E747 HydrophobicContact CD2-CB 4.46Å; L743-L748 HydrophobicContact CB-CD1 3.65Å; L743-L748 HydrophobicContact CD1-CD1 3.93Å; L743-L748 HydrophobicContact CG-CD1 4.45Å | ||
| 744 | M | 75.2 | Confident | 64.5 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 61% | 0.611 | 66% | 0.657 | S | S | * | * | trans | -57.8 | 143 | -177.3 | -86.5 | -71.5 | 143.8 | 0 | 0 | 110.2 | S742 Q746 E747 L748 | S742-M744 PolarHBondContact O-N 3.25Å; M744-Q746 PolarHBondContact O-N 2.97Å; M744-E747 HydrophobicContact CB-CG 4.03Å; M744-E747 PolarHBondContact N-OE2 2.92Å; M744-E747 WeakPolarHBondContact O-CA 3.46Å; M744-E747 WeakPolarHBondContact O-CB 3.1Å; M744-E747 PolarHBondContact O-N 3.27Å; M744-L748 PolarHBondContact O-N 2.64Å | ||
| 745 | P | 74.4 | Confident | 66.8 | Low | 102 Ų | 102 | 119 Ų | 119 | 66% | 0.662 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -52.5 | -33.4 | -177.6 | -29.5 | 35.8 | 0 | 0 | 0 | 113.3 | L748 L749 | P745-L748 PolarHBondContact O-N 2.77Å; P745-L749 WeakPolarHBondContact O-CB 3.35Å; P745-L749 PolarHBondContact O-N 2.67Å |
| 746 | Q | 78.4 | Confident | 69.2 | Low | 128 Ų | 128 | 117.9 Ų | 117.9 | 60% | 0.598 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.6 | -32.7 | 175.4 | -156.1 | -167.2 | 70.9 | 0 | 0 | 113.5 | M744 K750 | M744-Q746 PolarHBondContact O-N 2.97Å; Q746-K750 WeakPolarHBondContact O-CB 3.37Å; Q746-K750 VanDerWaalsContact O-CG 3.26Å; Q746-K750 WeakPolarHBondContact O-CG 3.48Å; Q746-K750 PolarHBondContact O-N 2.85Å |
| 747 | E | 80.6 | Confident | 71.6 | Confident | 89 Ų | 89 | 116.2 Ų | 116.2 | 42% | 0.416 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.5 | -39.9 | 173.8 | -61.9 | -178.1 | 118.1 | 0 | 0 | 111.5 | L743 M744 L749 K750 R751 | L743-E747 HydrophobicContact CD2-CB 4.46Å; M744-E747 HydrophobicContact CB-CG 4.03Å; M744-E747 PolarHBondContact N-OE2 2.92Å; M744-E747 WeakPolarHBondContact O-CA 3.46Å; M744-E747 WeakPolarHBondContact O-CB 3.1Å; M744-E747 PolarHBondContact O-N 3.27Å; E747-L749 VanDerWaalsContact C-N 3.29Å; E747-L749 PolarHBondContact O-N 3.32Å; E747-K750 PolarHBondContact O-N 3.25Å; E747-R751 WeakPolarHBondContact O-CB 3.48Å; E747-R751 PolarHBondContact O-N 3.43Å |
| 748 | L | 78.8 | Confident | 74.1 | Confident | 103 Ų | 103 | 116.3 Ų | 116.3 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.2 | -44.7 | 172.6 | -132.5 | 78.5 | 0 | 0 | 0 | 110.4 | L743 M744 P745 R752 | L743-L748 HydrophobicContact CB-CD1 3.65Å; L743-L748 HydrophobicContact CD1-CD1 3.93Å; L743-L748 HydrophobicContact CG-CD1 4.45Å; M744-L748 PolarHBondContact O-N 2.64Å; P745-L748 PolarHBondContact O-N 2.77Å; L748-R752 WeakPolarHBondContact O-CB 3.31Å; L748-R752 PolarHBondContact O-N 2.99Å |
| 749 | L | 85.6 | Confident | 76.8 | Confident | 107 Ų | 107 | 118.5 Ų | 118.5 | 56% | 0.56 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.7 | -48.5 | 175.1 | -176.6 | 61.1 | 0 | 0 | 0 | 112.1 | P745 E747 R751 R752 V753 | P745-L749 WeakPolarHBondContact O-CB 3.35Å; P745-L749 PolarHBondContact O-N 2.67Å; E747-L749 VanDerWaalsContact C-N 3.29Å; E747-L749 PolarHBondContact O-N 3.32Å; L749-R751 PolarHBondContact O-N 3.45Å; L749-R752 WeakPolarHBondContact O-CB 3.45Å; L749-R752 PolarHBondContact O-N 3.03Å; L749-R752 VanDerWaalsContact O-N 3.12Å; L749-V753 HydrophobicContact CD1-CG2 4.34Å; L749-V753 WeakPolarHBondContact O-CG2 3.45Å; L749-V753 PolarHBondContact O-N 3.23Å |
| 750 | K | 89.4 | Confident | 78.9 | Confident | 125 Ų | 125 | 116.5 Ų | 116.5 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -55.3 | -47.6 | 176.1 | -78.4 | 164.7 | 175.3 | 165.4 | 0 | 111.7 | Q746 E747 R752 V753 Q754 | Q746-K750 WeakPolarHBondContact O-CB 3.37Å; Q746-K750 VanDerWaalsContact O-CG 3.26Å; Q746-K750 WeakPolarHBondContact O-CG 3.48Å; Q746-K750 PolarHBondContact O-N 2.85Å; E747-K750 PolarHBondContact O-N 3.25Å; K750-R752 PolarHBondContact O-N 3.36Å; K750-V753 PolarHBondContact O-N 2.91Å; K750-Q754 WeakPolarHBondContact O-CB 3.49Å; K750-Q754 PolarHBondContact O-N 3.32Å |
| 751 | R | 85.2 | Confident | 81.2 | Confident | 158 Ų | 158 | 117 Ų | 117 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -38.5 | 175.8 | -76.9 | -176.3 | 169.6 | -170.4 | -2.1 | 112.5 | E747 L749 S755 | E747-R751 WeakPolarHBondContact O-CB 3.48Å; E747-R751 PolarHBondContact O-N 3.43Å; L749-R751 PolarHBondContact O-N 3.45Å; R751-S755 VanDerWaalsContact O-CB 3.28Å; R751-S755 WeakPolarHBondContact O-CB 3.32Å; R751-S755 PolarHBondContact O-N 2.9Å |
| 752 | R | 89.3 | Confident | 82.9 | Confident | 182 Ų | 182 | 109.9 Ų | 109.9 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 177.2 | -162.4 | 174.5 | -165.7 | 165.9 | 3.6 | 111.9 | L748 L749 K750 S755 Q756 | L748-R752 WeakPolarHBondContact O-CB 3.31Å; L748-R752 PolarHBondContact O-N 2.99Å; L749-R752 WeakPolarHBondContact O-CB 3.45Å; L749-R752 PolarHBondContact O-N 3.03Å; L749-R752 VanDerWaalsContact O-N 3.12Å; K750-R752 PolarHBondContact O-N 3.36Å; R752-S755 PolarHBondContact O-N 3.48Å; R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 3.26Å |
| 753 | V | 91.1 | Very high | 84.8 | Confident | 66 Ų | 66 | 107.8 Ų | 107.8 | 40% | 0.4 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 175 | 173 | 0 | 0 | 0 | 0 | 111 | L749 K750 S755 Q756 L757 | L749-V753 HydrophobicContact CD1-CG2 4.34Å; L749-V753 WeakPolarHBondContact O-CG2 3.45Å; L749-V753 PolarHBondContact O-N 3.23Å; K750-V753 PolarHBondContact O-N 2.91Å; V753-S755 VanDerWaalsContact C-N 3.3Å; V753-S755 PolarHBondContact O-N 3.45Å; V753-Q756 PolarHBondContact O-N 2.9Å; V753-Q756 VanDerWaalsContact O-N 3.14Å; V753-L757 HydrophobicContact CG1-CD1 4.07Å; V753-L757 HydrophobicContact CG1-CG 4.41Å; V753-L757 WeakPolarHBondContact O-CG 3.38Å; V753-L757 PolarHBondContact O-N 3.25Å |
| 754 | Q | 89.2 | Confident | 86 | Confident | 131 Ų | 131 | 110 Ų | 110 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.9 | -38.4 | 177.4 | -169.8 | -179.8 | 15.1 | 0 | 0 | 112.3 | K750 L757 T758 | K750-Q754 WeakPolarHBondContact O-CB 3.49Å; K750-Q754 PolarHBondContact O-N 3.32Å; Q754-L757 PolarHBondContact O-N 2.88Å; Q754-T758 WeakPolarHBondContact O-CB 3.41Å; Q754-T758 PolarHBondContact O-N 3.42Å; Q754-T758 PolarHBondContact O-OG1 2.89Å |
| 755 | S | 86.5 | Confident | 86.7 | Confident | 78 Ų | 78 | 110.3 Ų | 110.3 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 173.5 | -177 | 0 | 0 | 0 | 0 | 112.1 | R751 R752 V753 T758 K759 | R751-S755 VanDerWaalsContact O-CB 3.28Å; R751-S755 WeakPolarHBondContact O-CB 3.32Å; R751-S755 PolarHBondContact O-N 2.9Å; R752-S755 PolarHBondContact O-N 3.48Å; V753-S755 VanDerWaalsContact C-N 3.3Å; V753-S755 PolarHBondContact O-N 3.45Å; S755-T758 PolarHBondContact O-N 2.98Å; S755-K759 WeakPolarHBondContact O-CB 3.43Å; S755-K759 PolarHBondContact O-N 3.12Å |
| 756 | Q | 88.8 | Confident | 87.5 | Confident | 124 Ų | 124 | 112.1 Ų | 112.1 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63 | -44.7 | 174 | -75.7 | 178.7 | -13.4 | 0 | 0 | 112.5 | R752 V753 T758 K759 A760 | R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 3.26Å; V753-Q756 PolarHBondContact O-N 2.9Å; V753-Q756 VanDerWaalsContact O-N 3.14Å; Q756-T758 PolarHBondContact O-N 3.18Å; Q756-K759 PolarHBondContact O-N 3.02Å; Q756-A760 WeakPolarHBondContact O-CB 3.45Å; Q756-A760 PolarHBondContact O-N 3.09Å |
| 757 | L | 88.8 | Confident | 87.9 | Confident | 115 Ų | 115 | 107.9 Ų | 107.9 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 175.8 | -70.5 | 171.8 | 0 | 0 | 0 | 111.8 | V753 Q754 K759 A760 F761 | V753-L757 HydrophobicContact CG1-CD1 4.07Å; V753-L757 HydrophobicContact CG1-CG 4.41Å; V753-L757 WeakPolarHBondContact O-CG 3.38Å; V753-L757 PolarHBondContact O-N 3.25Å; Q754-L757 PolarHBondContact O-N 2.88Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.82Å; L757-A760 PolarHBondContact O-N 3.22Å; L757-F761 WeakPolarHBondContact O-CB 3.27Å; L757-F761 PolarHBondContact O-N 2.86Å |
| 758 | T | 90.4 | Very high | 88.1 | Confident | 72 Ų | 72 | 108.1 Ų | 108.1 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | Q754 S755 Q756 N762 | Q754-T758 WeakPolarHBondContact O-CB 3.41Å; Q754-T758 PolarHBondContact O-N 3.42Å; Q754-T758 PolarHBondContact O-OG1 2.89Å; S755-T758 PolarHBondContact O-N 2.98Å; Q756-T758 PolarHBondContact O-N 3.18Å; T758-N762 WeakPolarHBondContact O-CB 3.13Å; T758-N762 VanDerWaalsContact O-CG 3.3Å; T758-N762 PolarHBondContact O-N 2.67Å; T758-N762 PolarHBondContact O-ND2 3.29Å |
| 759 | K | 91.8 | Very high | 88.3 | Confident | 161 Ų | 161 | 107.5 Ų | 107.5 | 70% | 0.7 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 175.3 | -172.4 | 177.4 | 180 | -179 | 0 | 112 | S755 Q756 L757 A763 | S755-K759 WeakPolarHBondContact O-CB 3.43Å; S755-K759 PolarHBondContact O-N 3.12Å; Q756-K759 PolarHBondContact O-N 3.02Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.82Å; K759-A763 WeakPolarHBondContact O-CB 3.44Å; K759-A763 PolarHBondContact O-N 3.12Å |
| 760 | A | 88.3 | Confident | 88.3 | Confident | 50 Ų | 50 | 108.2 Ų | 108.2 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -50.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q756 L757 N762 A763 D764 | Q756-A760 WeakPolarHBondContact O-CB 3.45Å; Q756-A760 PolarHBondContact O-N 3.09Å; L757-A760 PolarHBondContact O-N 3.22Å; A760-N762 VanDerWaalsContact C-N 3.3Å; A760-N762 PolarHBondContact O-N 3.17Å; A760-A763 WeakPolarHBondContact O-CA 3.38Å; A760-A763 WeakPolarHBondContact O-CB 3.39Å; A760-A763 PolarHBondContact O-N 3.3Å; A760-D764 PolarHBondContact O-N 3.03Å |
| 761 | F | 90.6 | Very high | 88.2 | Confident | 133 Ų | 133 | 107.7 Ų | 107.7 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.4 | -42.1 | 176.8 | 179.8 | -98 | 0 | 0 | 0 | 112.8 | L757 K765 | L757-F761 WeakPolarHBondContact O-CB 3.27Å; L757-F761 PolarHBondContact O-N 2.86Å; F761-K765 WeakPolarHBondContact O-CB 3.35Å; F761-K765 PolarHBondContact O-N 3.4Å |
| 762 | N | 88.9 | Confident | 87.9 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70 | -31.6 | 175.8 | -73.4 | -26.2 | 0 | 0 | 0 | 112.9 | T758 A760 K766 | T758-N762 WeakPolarHBondContact O-CB 3.13Å; T758-N762 VanDerWaalsContact O-CG 3.3Å; T758-N762 PolarHBondContact O-N 2.67Å; T758-N762 PolarHBondContact O-ND2 3.29Å; A760-N762 VanDerWaalsContact C-N 3.3Å; A760-N762 PolarHBondContact O-N 3.17Å; N762-K766 WeakPolarHBondContact O-CB 3.45Å; N762-K766 PolarHBondContact O-N 3.01Å |
| 763 | A | 88 | Confident | 87.7 | Confident | 55 Ų | 55 | 101 Ų | 101 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K759 A760 K766 A767 | K759-A763 WeakPolarHBondContact O-CB 3.44Å; K759-A763 PolarHBondContact O-N 3.12Å; A760-A763 WeakPolarHBondContact O-CA 3.38Å; A760-A763 WeakPolarHBondContact O-CB 3.39Å; A760-A763 PolarHBondContact O-N 3.3Å; A763-K766 PolarHBondContact O-N 2.83Å; A763-A767 WeakPolarHBondContact O-CB 3.38Å; A763-A767 PolarHBondContact O-N 3.36Å |
| 764 | D | 87.2 | Confident | 87.5 | Confident | 115 Ų | 115 | 103 Ų | 103 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 176.3 | -72.9 | -22.8 | 0 | 0 | 0 | 111.5 | A760 K766 A767 E768 | A760-D764 PolarHBondContact O-N 3.03Å; D764-K766 VanDerWaalsContact C-N 3.29Å; D764-K766 PolarHBondContact O-N 3.07Å; D764-A767 PolarHBondContact O-N 2.81Å; D764-A767 VanDerWaalsContact O-N 3.15Å; D764-E768 PolarHBondContact O-N 3.14Å |
| 765 | K | 89.5 | Confident | 87.1 | Confident | 131 Ų | 131 | 102 Ų | 102 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.3 | -38.4 | 174.5 | -172.9 | 173.2 | -179 | 178.5 | 0 | 111.9 | F761 L769 | F761-K765 WeakPolarHBondContact O-CB 3.35Å; F761-K765 PolarHBondContact O-N 3.4Å; K765-L769 WeakPolarHBondContact O-CG 3.45Å; K765-L769 PolarHBondContact O-N 2.89Å |
| 766 | K | 91 | Very high | 86.7 | Confident | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.609 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -44.5 | 173 | -176.9 | -177.1 | 173 | -172.8 | 0 | 111.6 | N762 A763 D764 E768 L769 E770 | N762-K766 WeakPolarHBondContact O-CB 3.45Å; N762-K766 PolarHBondContact O-N 3.01Å; A763-K766 PolarHBondContact O-N 2.83Å; D764-K766 VanDerWaalsContact C-N 3.29Å; D764-K766 PolarHBondContact O-N 3.07Å; K766-E768 VanDerWaalsContact C-N 3.31Å; K766-E768 PolarHBondContact O-N 3Å; K766-L769 PolarHBondContact O-N 3.41Å; K766-E770 WeakPolarHBondContact O-CB 3.44Å; K766-E770 PolarHBondContact O-N 3.17Å |
| 767 | A | 87.4 | Confident | 86.3 | Confident | 40 Ų | 40 | 102.8 Ų | 102.8 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A763 D764 E770 K771 | A763-A767 WeakPolarHBondContact O-CB 3.38Å; A763-A767 PolarHBondContact O-N 3.36Å; D764-A767 PolarHBondContact O-N 2.81Å; D764-A767 VanDerWaalsContact O-N 3.15Å; A767-E770 PolarHBondContact O-N 3.3Å; A767-K771 WeakPolarHBondContact O-CG 3.47Å; A767-K771 PolarHBondContact O-N 3.27Å |
| 768 | E | 84.5 | Confident | 86 | Confident | 94 Ų | 94 | 102 Ų | 102 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.2 | -40.9 | 175.4 | -158.4 | 61 | -150.3 | 0 | 0 | 112.1 | D764 K766 E770 K771 Q772 | D764-E768 PolarHBondContact O-N 3.14Å; K766-E768 VanDerWaalsContact C-N 3.31Å; K766-E768 PolarHBondContact O-N 3Å; E768-E770 VanDerWaalsContact C-N 3.3Å; E768-E770 PolarHBondContact O-N 2.97Å; E768-K771 WeakPolarHBondContact O-CB 3.27Å; E768-K771 PolarHBondContact O-N 2.93Å; E768-K771 WeakPolarHBondContact OE2-CD 3.37Å; E768-K771 WeakPolarHBondContact OE2-CE 3.37Å; E768-K771 IonicContact OE2-NZ 2.72Å; E768-K771 PolarHBondContact OE2-NZ 2.86Å; E768-Q772 WeakPolarHBondContact O-CG 3.28Å; E768-Q772 PolarHBondContact O-N 3.4Å |
| 769 | L | 82.6 | Confident | 85.6 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 170.9 | -72.2 | 168.9 | 0 | 0 | 0 | 111.8 | K765 K766 Q772 I773 | K765-L769 WeakPolarHBondContact O-CG 3.45Å; K765-L769 PolarHBondContact O-N 2.89Å; K766-L769 PolarHBondContact O-N 3.41Å; L769-Q772 PolarHBondContact O-N 2.97Å; L769-I773 WeakPolarHBondContact O-CG1 3.44Å; L769-I773 PolarHBondContact O-N 3.41Å |
| 770 | E | 85.5 | Confident | 85.1 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67 | -36.6 | 176.8 | -169.1 | 163.9 | -179.1 | 0 | 0 | 112.2 | K766 A767 E768 Q774 | K766-E770 WeakPolarHBondContact O-CB 3.44Å; K766-E770 PolarHBondContact O-N 3.17Å; A767-E770 PolarHBondContact O-N 3.3Å; E768-E770 VanDerWaalsContact C-N 3.3Å; E768-E770 PolarHBondContact O-N 2.97Å; E770-Q774 VanDerWaalsContact O-CB 3.3Å; E770-Q774 WeakPolarHBondContact O-CB 3.4Å; E770-Q774 PolarHBondContact O-N 2.98Å |
| 771 | K | 87.4 | Confident | 84.8 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 169.6 | -70.5 | 172 | -151.2 | 160.3 | 0 | 112.5 | A767 E768 Q774 L775 | A767-K771 WeakPolarHBondContact O-CG 3.47Å; A767-K771 PolarHBondContact O-N 3.27Å; E768-K771 WeakPolarHBondContact O-CB 3.27Å; E768-K771 PolarHBondContact O-N 2.93Å; E768-K771 WeakPolarHBondContact OE2-CD 3.37Å; E768-K771 WeakPolarHBondContact OE2-CE 3.37Å; E768-K771 IonicContact OE2-NZ 2.72Å; E768-K771 PolarHBondContact OE2-NZ 2.86Å; K771-Q774 PolarHBondContact O-N 3.1Å; K771-L775 PolarHBondContact O-N 3.09Å |
| 772 | Q | 79.6 | Confident | 84.1 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 177.6 | -74.3 | 179.2 | -19.6 | 0 | 0 | 110.9 | E768 L769 Q774 L775 E776 | E768-Q772 WeakPolarHBondContact O-CG 3.28Å; E768-Q772 PolarHBondContact O-N 3.4Å; L769-Q772 PolarHBondContact O-N 2.97Å; Q772-Q774 PolarHBondContact O-N 3.44Å; Q772-L775 PolarHBondContact O-N 3.06Å; Q772-L775 VanDerWaalsContact O-N 3.14Å; Q772-E776 PolarHBondContact O-N 2.87Å |
| 773 | I | 84.7 | Confident | 83.7 | Confident | 88 Ų | 88 | 102.8 Ų | 102.8 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -37 | 175.2 | -68.2 | 165.1 | 0 | 0 | 0 | 111.4 | L769 R777 | L769-I773 WeakPolarHBondContact O-CG1 3.44Å; L769-I773 PolarHBondContact O-N 3.41Å; I773-R777 WeakPolarHBondContact O-CB 3.45Å; I773-R777 VanDerWaalsContact O-CG 3.29Å; I773-R777 WeakPolarHBondContact O-CG 3.47Å; I773-R777 PolarHBondContact O-N 3.38Å |
| 774 | Q | 86.2 | Confident | 83.4 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -35.5 | 178.2 | -170.1 | 60.4 | 21.2 | 0 | 0 | 113 | E770 K771 Q772 E778 | E770-Q774 VanDerWaalsContact O-CB 3.3Å; E770-Q774 WeakPolarHBondContact O-CB 3.4Å; E770-Q774 PolarHBondContact O-N 2.98Å; K771-Q774 PolarHBondContact O-N 3.1Å; Q772-Q774 PolarHBondContact O-N 3.44Å; Q774-E778 PolarHBondContact O-N 2.84Å |
| 775 | L | 82 | Confident | 83.3 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 170.9 | -88.3 | 166.6 | 0 | 0 | 0 | 111.7 | K771 Q772 R777 E778 R779 | K771-L775 PolarHBondContact O-N 3.09Å; Q772-L775 PolarHBondContact O-N 3.06Å; Q772-L775 VanDerWaalsContact O-N 3.14Å; L775-R777 PolarHBondContact O-N 3.23Å; L775-E778 PolarHBondContact O-N 3.33Å; L775-E778 VanDerWaalsContact O-N 3.12Å; L775-R779 PolarHBondContact O-N 3.15Å |
| 776 | E | 77.7 | Confident | 82.8 | Confident | 72 Ų | 72 | 99 Ų | 99 | 34% | 0.336 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.8 | -154.3 | 65.3 | -107.5 | 0 | 0 | 111.2 | Q772 E778 R779 Q780 | Q772-E776 PolarHBondContact O-N 2.87Å; E776-E778 VanDerWaalsContact C-N 3.31Å; E776-E778 PolarHBondContact O-N 2.92Å; E776-R779 WeakPolarHBondContact O-CB 3.44Å; E776-R779 PolarHBondContact O-N 3.02Å; E776-R779 WeakPolarHBondContact OE1-CD 3.46Å; E776-R779 IonicContact OE1-CZ 3.47Å; E776-R779 IonicContact OE1-NE 3.5Å; E776-R779 IonicContact OE1-NH1 2.85Å; E776-R779 PolarHBondContact OE1-NH1 3.23Å; E776-R779 IonicContact OE2-NH1 2.68Å; E776-Q780 WeakPolarHBondContact O-CB 3.31Å; E776-Q780 VanDerWaalsContact O-CG 3.31Å; E776-Q780 WeakPolarHBondContact O-CG 3.27Å; E776-Q780 PolarHBondContact O-N 2.92Å |
| 777 | R | 81.2 | Confident | 82.3 | Confident | 146 Ų | 146 | 99.1 Ų | 99.1 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.5 | -35.6 | 173.2 | -74.3 | 170.6 | 179 | 160.4 | 1.6 | 112.8 | I773 L775 A781 | I773-R777 WeakPolarHBondContact O-CB 3.45Å; I773-R777 VanDerWaalsContact O-CG 3.29Å; I773-R777 WeakPolarHBondContact O-CG 3.47Å; I773-R777 PolarHBondContact O-N 3.38Å; L775-R777 PolarHBondContact O-N 3.23Å; R777-A781 VanDerWaalsContact O-CB 3.25Å; R777-A781 WeakPolarHBondContact O-CB 3.44Å; R777-A781 PolarHBondContact O-N 2.95Å |
| 778 | E | 81.8 | Confident | 82.1 | Confident | 99 Ų | 99 | 104 Ų | 104 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.3 | -38.6 | 176.9 | -153.4 | -164.7 | 109.2 | 0 | 0 | 112 | Q774 L775 E776 A781 R782 | Q774-E778 PolarHBondContact O-N 2.84Å; L775-E778 PolarHBondContact O-N 3.33Å; L775-E778 VanDerWaalsContact O-N 3.12Å; E776-E778 VanDerWaalsContact C-N 3.31Å; E776-E778 PolarHBondContact O-N 2.92Å; E778-A781 PolarHBondContact O-N 3.03Å; E778-R782 WeakPolarHBondContact O-CG 3.32Å; E778-R782 PolarHBondContact O-N 2.89Å; E778-R782 IonicContact OE1-CZ 3.63Å; E778-R782 IonicContact OE1-NE 2.8Å; E778-R782 PolarHBondContact OE1-NE 3.27Å; E778-R782 IonicContact OE1-NH2 3.54Å; E778-R782 PolarHBondContact OE1-NH2 2.97Å |
| 779 | R | 82.9 | Confident | 81.9 | Confident | 122 Ų | 122 | 105 Ų | 105 | 46% | 0.46 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -54.1 | 170.2 | -179.3 | -163.8 | -177.6 | -174 | 1.7 | 110.2 | E664 L775 E776 A781 R782 E783 | E664-R779 IonicContact OE1-CZ 2.71Å; E664-R779 VanDerWaalsContact OE1-CZ 3.27Å; E664-R779 IonicContact OE1-NH1 3.21Å; E664-R779 PolarHBondContact OE1-NH1 3.14Å; E664-R779 IonicContact OE1-NH2 3.19Å; E664-R779 PolarHBondContact OE1-NH2 3.26Å; L775-R779 PolarHBondContact O-N 3.15Å; E776-R779 WeakPolarHBondContact O-CB 3.44Å; E776-R779 PolarHBondContact O-N 3.02Å; E776-R779 WeakPolarHBondContact OE1-CD 3.46Å; E776-R779 IonicContact OE1-CZ 3.47Å; E776-R779 IonicContact OE1-NE 3.5Å; E776-R779 IonicContact OE1-NH1 2.85Å; E776-R779 PolarHBondContact OE1-NH1 3.23Å; E776-R779 IonicContact OE2-NH1 2.68Å; R779-A781 VanDerWaalsContact C-N 3.34Å; R779-A781 PolarHBondContact O-N 3.18Å; R779-R782 PolarHBondContact O-N 3.5Å; R779-E783 PolarHBondContact O-N 3.04Å |
| 780 | Q | 79.7 | Confident | 81.8 | Confident | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 178 | -71.5 | 174.9 | 1.3 | 0 | 0 | 112.6 | E776 E783 E784 | E776-Q780 WeakPolarHBondContact O-CB 3.31Å; E776-Q780 VanDerWaalsContact O-CG 3.31Å; E776-Q780 WeakPolarHBondContact O-CG 3.27Å; E776-Q780 PolarHBondContact O-N 2.92Å; Q780-E783 PolarHBondContact O-N 3.42Å; Q780-E784 WeakPolarHBondContact O-CB 3.27Å; Q780-E784 PolarHBondContact O-N 3.02Å |
| 781 | A | 82.7 | Confident | 81.5 | Confident | 64 Ų | 64 | 105.1 Ų | 105.1 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -36 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R777 E778 R779 G785 | R777-A781 VanDerWaalsContact O-CB 3.25Å; R777-A781 WeakPolarHBondContact O-CB 3.44Å; R777-A781 PolarHBondContact O-N 2.95Å; E778-A781 PolarHBondContact O-N 3.03Å; R779-A781 VanDerWaalsContact C-N 3.34Å; R779-A781 PolarHBondContact O-N 3.18Å; A781-G785 PolarHBondContact O-N 3.03Å |
| 782 | R | 76.5 | Confident | 81.5 | Confident | 138 Ų | 138 | 104.8 Ų | 104.8 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 172.3 | -73.8 | -172.7 | -112.2 | 119.9 | -4.7 | 111.2 | E778 R779 E784 G785 L786 | E778-R782 WeakPolarHBondContact O-CG 3.32Å; E778-R782 PolarHBondContact O-N 2.89Å; E778-R782 IonicContact OE1-CZ 3.63Å; E778-R782 IonicContact OE1-NE 2.8Å; E778-R782 PolarHBondContact OE1-NE 3.27Å; E778-R782 IonicContact OE1-NH2 3.54Å; E778-R782 PolarHBondContact OE1-NH2 2.97Å; R779-R782 PolarHBondContact O-N 3.5Å; R782-E784 PolarHBondContact O-N 3.46Å; R782-G785 WeakPolarHBondContact O-CA 3.46Å; R782-G785 PolarHBondContact O-N 3.49Å; R782-G785 VanDerWaalsContact O-N 3.15Å; R782-L786 PolarHBondContact O-N 3.24Å |
| 783 | E | 79.9 | Confident | 81.5 | Confident | 84 Ų | 84 | 104.3 Ų | 104.3 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.1 | -154.1 | -148.8 | 153.1 | 0 | 0 | 112.2 | R779 Q780 G785 L786 R787 | R779-E783 PolarHBondContact O-N 3.04Å; Q780-E783 PolarHBondContact O-N 3.42Å; E783-G785 VanDerWaalsContact C-N 3.26Å; E783-G785 PolarHBondContact O-N 3.06Å; E783-L786 PolarHBondContact O-N 2.97Å; E783-R787 WeakPolarHBondContact O-CB 3.47Å; E783-R787 WeakPolarHBondContact O-CG 3.44Å; E783-R787 PolarHBondContact O-N 3.1Å; E783-R787 IonicContact OE1-CZ 3.18Å; E783-R787 IonicContact OE1-NE 2.73Å; E783-R787 PolarHBondContact OE1-NE 2.99Å; E783-R787 IonicContact OE1-NH2 3.58Å; E783-R787 PolarHBondContact OE1-NH2 2.99Å; E783-R787 IonicContact OE2-NH2 3.81Å |
| 784 | E | 81 | Confident | 81.1 | Confident | 86 Ų | 86 | 108.9 Ų | 108.9 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 175.3 | -144.3 | -135.8 | 138.2 | 0 | 0 | 111.7 | Q780 R782 R788 | Q780-E784 WeakPolarHBondContact O-CB 3.27Å; Q780-E784 PolarHBondContact O-N 3.02Å; R782-E784 PolarHBondContact O-N 3.46Å; E784-R788 VanDerWaalsContact CD-NE 3.35Å; E784-R788 WeakPolarHBondContact O-CB 3.47Å; E784-R788 WeakPolarHBondContact O-CG 3.48Å; E784-R788 PolarHBondContact O-N 3.06Å; E784-R788 IonicContact OE1-CZ 3.56Å; E784-R788 IonicContact OE1-NE 3.67Å; E784-R788 PolarHBondContact OE1-NE 3.42Å; E784-R788 IonicContact OE1-NH2 2.83Å; E784-R788 PolarHBondContact OE1-NH2 2.91Å; E784-R788 IonicContact OE2-CZ 3.28Å; E784-R788 IonicContact OE2-NE 2.81Å; E784-R788 IonicContact OE2-NH2 2.97Å; E784-R788 PolarHBondContact OE2-NH2 2.83Å |
| 785 | G | 86.2 | Confident | 80.8 | Confident | 36 Ų | 36 | 111.6 Ų | 111.6 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A781 R782 E783 R788 Q789 | A781-G785 PolarHBondContact O-N 3.03Å; R782-G785 WeakPolarHBondContact O-CA 3.46Å; R782-G785 PolarHBondContact O-N 3.49Å; R782-G785 VanDerWaalsContact O-N 3.15Å; E783-G785 VanDerWaalsContact C-N 3.26Å; E783-G785 PolarHBondContact O-N 3.06Å; G785-R788 WeakPolarHBondContact O-CB 3.35Å; G785-R788 PolarHBondContact O-N 3.29Å; G785-Q789 PolarHBondContact O-N 3.37Å |
| 786 | L | 79.2 | Confident | 80.9 | Confident | 101 Ų | 101 | 112.4 Ų | 112.4 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 174.5 | -78 | 157.4 | 0 | 0 | 0 | 111.6 | R782 E783 R788 Q789 A790 | R782-L786 PolarHBondContact O-N 3.24Å; E783-L786 PolarHBondContact O-N 2.97Å; L786-R788 VanDerWaalsContact C-N 3.3Å; L786-R788 PolarHBondContact O-N 3.05Å; L786-Q789 PolarHBondContact O-N 3.27Å; L786-Q789 VanDerWaalsContact O-N 3.1Å; L786-A790 PolarHBondContact O-N 2.89Å |
| 787 | R | 79.8 | Confident | 80.9 | Confident | 141 Ų | 141 | 114.7 Ų | 114.7 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 175.3 | -71 | 178.7 | -180 | -154.8 | 1.8 | 112.4 | E783 R791 | E783-R787 WeakPolarHBondContact O-CB 3.47Å; E783-R787 WeakPolarHBondContact O-CG 3.44Å; E783-R787 PolarHBondContact O-N 3.1Å; E783-R787 IonicContact OE1-CZ 3.18Å; E783-R787 IonicContact OE1-NE 2.73Å; E783-R787 PolarHBondContact OE1-NE 2.99Å; E783-R787 IonicContact OE1-NH2 3.58Å; E783-R787 PolarHBondContact OE1-NH2 2.99Å; E783-R787 IonicContact OE2-NH2 3.81Å; R787-R791 WeakPolarHBondContact O-CB 3.46Å; R787-R791 VanDerWaalsContact O-CG 3.27Å; R787-R791 WeakPolarHBondContact O-CG 3.47Å; R787-R791 PolarHBondContact O-N 3.24Å |
| 788 | R | 83.6 | Confident | 80.8 | Confident | 142 Ų | 142 | 113.5 Ų | 113.5 | 54% | 0.536 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 173.6 | -76.5 | 170.7 | -174.2 | -163.5 | 11.7 | 111.8 | E784 G785 L786 R791 L792 | E784-R788 VanDerWaalsContact CD-NE 3.35Å; E784-R788 WeakPolarHBondContact O-CB 3.47Å; E784-R788 WeakPolarHBondContact O-CG 3.48Å; E784-R788 PolarHBondContact O-N 3.06Å; E784-R788 IonicContact OE1-CZ 3.56Å; E784-R788 IonicContact OE1-NE 3.67Å; E784-R788 PolarHBondContact OE1-NE 3.42Å; E784-R788 IonicContact OE1-NH2 2.83Å; E784-R788 PolarHBondContact OE1-NH2 2.91Å; E784-R788 IonicContact OE2-CZ 3.28Å; E784-R788 IonicContact OE2-NE 2.81Å; E784-R788 IonicContact OE2-NH2 2.97Å; E784-R788 PolarHBondContact OE2-NH2 2.83Å; G785-R788 WeakPolarHBondContact O-CB 3.35Å; G785-R788 PolarHBondContact O-N 3.29Å; L786-R788 VanDerWaalsContact C-N 3.3Å; L786-R788 PolarHBondContact O-N 3.05Å; R788-R791 PolarHBondContact O-N 3.48Å; R788-L792 WeakPolarHBondContact O-CG 3.42Å; R788-L792 PolarHBondContact O-N 3.15Å; R788-L792 VanDerWaalsContact O-N 3.09Å |
| 789 | Q | 79.5 | Confident | 80.8 | Confident | 116 Ų | 116 | 116.2 Ų | 116.2 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.9 | -175.2 | 168.8 | -19.8 | 0 | 0 | 112.1 | G785 L786 R791 L792 L793 | G785-Q789 PolarHBondContact O-N 3.37Å; L786-Q789 PolarHBondContact O-N 3.27Å; L786-Q789 VanDerWaalsContact O-N 3.1Å; Q789-R791 VanDerWaalsContact C-N 3.33Å; Q789-R791 PolarHBondContact O-N 2.74Å; Q789-L792 WeakPolarHBondContact O-CA 3.29Å; Q789-L792 WeakPolarHBondContact O-CB 3.25Å; Q789-L792 PolarHBondContact O-N 3.41Å; Q789-L793 PolarHBondContact O-N 2.94Å |
| 790 | A | 81.9 | Confident | 80.8 | Confident | 47 Ų | 47 | 117 Ų | 117 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L786 L792 L793 R794 | L786-A790 PolarHBondContact O-N 2.89Å; A790-L792 VanDerWaalsContact C-N 3.29Å; A790-L792 PolarHBondContact O-N 2.86Å; A790-L793 PolarHBondContact O-N 2.9Å; A790-R794 WeakPolarHBondContact O-CB 3.45Å; A790-R794 PolarHBondContact O-N 2.89Å |
| 791 | R | 77.1 | Confident | 80.8 | Confident | 167 Ų | 167 | 115.3 Ų | 115.3 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -28.1 | 172.2 | -75.8 | 172 | 175.7 | 175.4 | -0.3 | 113.3 | R787 R788 Q789 R795 | R787-R791 WeakPolarHBondContact O-CB 3.46Å; R787-R791 VanDerWaalsContact O-CG 3.27Å; R787-R791 WeakPolarHBondContact O-CG 3.47Å; R787-R791 PolarHBondContact O-N 3.24Å; R788-R791 PolarHBondContact O-N 3.48Å; Q789-R791 VanDerWaalsContact C-N 3.33Å; Q789-R791 PolarHBondContact O-N 2.74Å; R791-R795 WeakPolarHBondContact O-CB 3.3Å; R791-R795 VanDerWaalsContact O-CG 3.32Å; R791-R795 WeakPolarHBondContact O-CG 3.39Å; R791-R795 PolarHBondContact O-N 3.47Å |
| 792 | L | 89.3 | Confident | 80.6 | Confident | 107 Ų | 107 | 120.1 Ų | 120.1 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.2 | -43.4 | 174.6 | -75.2 | 168.7 | 0 | 0 | 0 | 111.9 | R788 Q789 A790 R795 Q796 | R788-L792 WeakPolarHBondContact O-CG 3.42Å; R788-L792 PolarHBondContact O-N 3.15Å; R788-L792 VanDerWaalsContact O-N 3.09Å; Q789-L792 WeakPolarHBondContact O-CA 3.29Å; Q789-L792 WeakPolarHBondContact O-CB 3.25Å; Q789-L792 PolarHBondContact O-N 3.41Å; A790-L792 VanDerWaalsContact C-N 3.29Å; A790-L792 PolarHBondContact O-N 2.86Å; L792-R795 PolarHBondContact O-N 3.36Å; L792-Q796 WeakPolarHBondContact O-CG 3.33Å; L792-Q796 PolarHBondContact O-N 3.48Å |
| 793 | L | 79.5 | Confident | 80.9 | Confident | 100 Ų | 100 | 116.3 Ų | 116.3 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 174.7 | -73.8 | 171.2 | 0 | 0 | 0 | 111.2 | Q789 A790 R795 Q796 E797 | Q789-L793 PolarHBondContact O-N 2.94Å; A790-L793 PolarHBondContact O-N 2.9Å; L793-R795 PolarHBondContact O-N 2.91Å; L793-Q796 WeakPolarHBondContact O-CA 3.5Å; L793-Q796 WeakPolarHBondContact O-CB 3.43Å; L793-Q796 PolarHBondContact O-N 3.31Å; L793-E797 PolarHBondContact O-N 2.85Å |
| 794 | R | 75.7 | Confident | 80.9 | Confident | 184 Ų | 184 | 116.3 Ų | 116.3 | 69% | 0.694 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.2 | -33.8 | 178.3 | -155.7 | -179.5 | -61.8 | -166.3 | -0.9 | 112.5 | A790 E798 | A790-R794 WeakPolarHBondContact O-CB 3.45Å; A790-R794 PolarHBondContact O-N 2.89Å; R794-E798 VanDerWaalsContact O-CB 3.29Å; R794-E798 WeakPolarHBondContact O-CB 3.39Å; R794-E798 PolarHBondContact O-N 2.93Å |
| 795 | R | 78.7 | Confident | 80.7 | Confident | 167 Ų | 167 | 120.1 Ų | 120.1 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.8 | -24.8 | 173.2 | -80.6 | 177.3 | 169.2 | -176.6 | -1.7 | 114.5 | R791 L792 L793 K799 | R791-R795 WeakPolarHBondContact O-CB 3.3Å; R791-R795 VanDerWaalsContact O-CG 3.32Å; R791-R795 WeakPolarHBondContact O-CG 3.39Å; R791-R795 PolarHBondContact O-N 3.47Å; L792-R795 PolarHBondContact O-N 3.36Å; L793-R795 PolarHBondContact O-N 2.91Å; R795-K799 VanDerWaalsContact O-CG 3.27Å; R795-K799 WeakPolarHBondContact O-CG 3.39Å; R795-K799 PolarHBondContact O-N 3.14Å |
| 796 | Q | 84 | Confident | 80.2 | Confident | 128 Ų | 128 | 125.5 Ų | 125.5 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77 | -41.2 | 172 | -74.9 | 179 | -12.7 | 0 | 0 | 110.5 | L792 L793 K799 R800 | L792-Q796 WeakPolarHBondContact O-CG 3.33Å; L792-Q796 PolarHBondContact O-N 3.48Å; L793-Q796 WeakPolarHBondContact O-CA 3.5Å; L793-Q796 WeakPolarHBondContact O-CB 3.43Å; L793-Q796 PolarHBondContact O-N 3.31Å; Q796-K799 WeakPolarHBondContact O-CB 3.4Å; Q796-K799 PolarHBondContact O-N 3.01Å; Q796-R800 PolarHBondContact O-N 2.96Å |
| 797 | E | 78.2 | Confident | 80.2 | Confident | 119 Ų | 119 | 123.2 Ų | 123.2 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.4 | -46.9 | 175.2 | -177.2 | 169.9 | -127.2 | 0 | 0 | 112.3 | L793 K799 R800 L801 | L793-E797 PolarHBondContact O-N 2.85Å; E797-K799 VanDerWaalsContact C-N 3.25Å; E797-K799 PolarHBondContact O-N 2.93Å; E797-R800 WeakPolarHBondContact O-CA 3.46Å; E797-R800 WeakPolarHBondContact O-CB 3.36Å; E797-R800 PolarHBondContact O-N 3.48Å; E797-L801 HydrophobicContact CG-CD1 4.17Å; E797-L801 WeakPolarHBondContact O-CG 3.34Å; E797-L801 PolarHBondContact O-N 2.88Å |
| 798 | E | 78.8 | Confident | 80 | Confident | 122 Ų | 122 | 121.4 Ų | 121.4 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56.2 | -40.3 | 172.4 | -174.3 | -171.5 | -178.6 | 0 | 0 | 111.7 | R794 R802 | R794-E798 VanDerWaalsContact O-CB 3.29Å; R794-E798 WeakPolarHBondContact O-CB 3.39Å; R794-E798 PolarHBondContact O-N 2.93Å; E798-R802 VanDerWaalsContact O-CB 3.31Å; E798-R802 WeakPolarHBondContact O-CB 3.41Å; E798-R802 PolarHBondContact O-N 3.4Å |
| 799 | K | 82.3 | Confident | 79.7 | Confident | 155 Ų | 155 | 116 Ų | 116 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.4 | -39.1 | 173.9 | -78.6 | 177.7 | 177.1 | -171.8 | 0 | 112.7 | R795 Q796 E797 R802 A803 | R795-K799 VanDerWaalsContact O-CG 3.27Å; R795-K799 WeakPolarHBondContact O-CG 3.39Å; R795-K799 PolarHBondContact O-N 3.14Å; Q796-K799 WeakPolarHBondContact O-CB 3.4Å; Q796-K799 PolarHBondContact O-N 3.01Å; E797-K799 VanDerWaalsContact C-N 3.25Å; E797-K799 PolarHBondContact O-N 2.93Å; K799-R802 PolarHBondContact O-N 3.5Å; K799-A803 WeakPolarHBondContact O-CB 3.38Å; K799-A803 PolarHBondContact O-N 3.46Å |
| 800 | R | 82.7 | Confident | 79.5 | Confident | 139 Ų | 139 | 115.5 Ų | 115.5 | 53% | 0.525 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -53.2 | 174.7 | -179.5 | 178.4 | 170.8 | 166.5 | -1.1 | 110.2 | Q796 E797 R802 A803 E804 | Q796-R800 PolarHBondContact O-N 2.96Å; E797-R800 WeakPolarHBondContact O-CA 3.46Å; E797-R800 WeakPolarHBondContact O-CB 3.36Å; E797-R800 PolarHBondContact O-N 3.48Å; R800-R802 PolarHBondContact O-N 3.03Å; R800-A803 CarbonylContact O-C 3.58Å; R800-A803 WeakPolarHBondContact O-CA 3.37Å; R800-A803 WeakPolarHBondContact O-CB 3.49Å; R800-A803 PolarHBondContact O-N 2.89Å; R800-E804 VanDerWaalsContact O-CB 3.31Å; R800-E804 WeakPolarHBondContact O-CB 3.4Å; R800-E804 PolarHBondContact O-N 3.32Å |
| 801 | L | 80.1 | Confident | 79.2 | Confident | 78 Ų | 78 | 121 Ų | 121 | 41% | 0.408 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.4 | -22.7 | 177.4 | -68.3 | 169 | 0 | 0 | 0 | 113.5 | E797 R805 | E797-L801 HydrophobicContact CG-CD1 4.17Å; E797-L801 WeakPolarHBondContact O-CG 3.34Å; E797-L801 PolarHBondContact O-N 2.88Å; L801-R805 WeakPolarHBondContact O-CB 3.43Å; L801-R805 PolarHBondContact O-N 3.41Å; L801-R805 PolarHBondContact O-NE 3.41Å |
| 802 | R | 79.2 | Confident | 79 | Confident | 165 Ų | 165 | 120.2 Ų | 120.2 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.7 | -30 | 171.8 | -166.1 | 177.8 | -173.9 | 109 | -0.7 | 112.7 | E798 K799 R800 R806 | E798-R802 VanDerWaalsContact O-CB 3.31Å; E798-R802 WeakPolarHBondContact O-CB 3.41Å; E798-R802 PolarHBondContact O-N 3.4Å; K799-R802 PolarHBondContact O-N 3.5Å; R800-R802 PolarHBondContact O-N 3.03Å; R802-R806 WeakPolarHBondContact O-CG 3.43Å; R802-R806 PolarHBondContact O-N 2.96Å |
| 803 | A | 82.5 | Confident | 77.7 | Confident | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.6 | -40 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K799 R800 R806 A807 | K799-A803 WeakPolarHBondContact O-CB 3.38Å; K799-A803 PolarHBondContact O-N 3.46Å; R800-A803 CarbonylContact O-C 3.58Å; R800-A803 WeakPolarHBondContact O-CA 3.37Å; R800-A803 WeakPolarHBondContact O-CB 3.49Å; R800-A803 PolarHBondContact O-N 2.89Å; A803-R806 CarbonylContact O-C 3.52Å; A803-R806 WeakPolarHBondContact O-CA 3.46Å; A803-R806 WeakPolarHBondContact O-CB 3.38Å; A803-R806 PolarHBondContact O-N 2.79Å; A803-R806 VanDerWaalsContact O-N 3.12Å; A803-A807 PolarHBondContact O-N 2.94Å |
| 804 | E | 80.1 | Confident | 76.6 | Confident | 83 Ų | 83 | 116.3 Ų | 116.3 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.9 | -46.4 | 177.5 | -172 | 161.2 | -155.1 | 0 | 0 | 111.7 | R800 R806 A807 M808 | R800-E804 VanDerWaalsContact O-CB 3.31Å; R800-E804 WeakPolarHBondContact O-CB 3.4Å; R800-E804 PolarHBondContact O-N 3.32Å; E804-R806 PolarHBondContact O-N 2.9Å; E804-A807 WeakPolarHBondContact O-CB 3.28Å; E804-A807 PolarHBondContact O-N 2.82Å; E804-M808 PolarHBondContact O-N 2.8Å |
| 805 | R | 77.3 | Confident | 75.3 | Confident | 167 Ų | 167 | 114.5 Ų | 114.5 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.4 | -28.1 | 169.5 | -81.3 | 178.3 | -79.4 | -154.5 | -3.6 | 113.8 | L801 A809 | L801-R805 WeakPolarHBondContact O-CB 3.43Å; L801-R805 PolarHBondContact O-N 3.41Å; L801-R805 PolarHBondContact O-NE 3.41Å; R805-A809 VanDerWaalsContact O-CB 3.27Å; R805-A809 WeakPolarHBondContact O-CB 3.45Å; R805-A809 PolarHBondContact O-N 2.91Å; R805-A809 VanDerWaalsContact O-N 3.13Å |
| 806 | R | 75.8 | Confident | 73.8 | Confident | 148 Ų | 148 | 111.3 Ų | 111.3 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.3 | -34.9 | 171 | -83 | 177.4 | 166.1 | -171.4 | -6.1 | 112.4 | R802 A803 E804 A809 I810 | R802-R806 WeakPolarHBondContact O-CG 3.43Å; R802-R806 PolarHBondContact O-N 2.96Å; A803-R806 CarbonylContact O-C 3.52Å; A803-R806 WeakPolarHBondContact O-CA 3.46Å; A803-R806 WeakPolarHBondContact O-CB 3.38Å; A803-R806 PolarHBondContact O-N 2.79Å; A803-R806 VanDerWaalsContact O-N 3.12Å; E804-R806 PolarHBondContact O-N 2.9Å; R806-A809 PolarHBondContact O-N 3.27Å; R806-I810 WeakPolarHBondContact O-CD1 3.42Å; R806-I810 VanDerWaalsContact O-CG1 3.28Å; R806-I810 WeakPolarHBondContact O-CG1 3.49Å; R806-I810 PolarHBondContact O-N 3.31Å; R806-I810 VanDerWaalsContact O-N 3.14Å |
| 807 | A | 78 | Confident | 72 | Confident | 53 Ų | 53 | 107.9 Ų | 107.9 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.2 | -50.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A803 E804 A809 I810 E811 | A803-A807 PolarHBondContact O-N 2.94Å; E804-A807 WeakPolarHBondContact O-CB 3.28Å; E804-A807 PolarHBondContact O-N 2.82Å; A807-A809 VanDerWaalsContact C-N 3.27Å; A807-A809 PolarHBondContact O-N 3.06Å; A807-I810 WeakPolarHBondContact O-CB 3.26Å; A807-I810 PolarHBondContact O-N 3.15Å; A807-E811 WeakPolarHBondContact O-CB 3.18Å; A807-E811 PolarHBondContact O-N 2.99Å |
| 808 | M | 75.6 | Confident | 70.1 | Confident | 104 Ų | 104 | 109.9 Ų | 109.9 | 51% | 0.512 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.7 | -36.3 | 174.3 | -72 | 178.7 | 167.4 | 0 | 0 | 112.6 | E804 I810 E811 L812 | E804-M808 PolarHBondContact O-N 2.8Å; M808-I810 VanDerWaalsContact C-N 3.34Å; M808-I810 PolarHBondContact O-N 2.72Å; M808-E811 PolarHBondContact O-N 2.83Å; M808-L812 WeakPolarHBondContact O-CB 3.43Å; M808-L812 WeakPolarHBondContact O-CG 3.35Å; M808-L812 PolarHBondContact O-N 3.03Å |
| 809 | A | 77.3 | Confident | 68.2 | Low | 27 Ų | 27 | 108.9 Ų | 108.9 | 22% | 0.223 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -65.7 | -34.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | R805 R806 A807 S814 | R805-A809 VanDerWaalsContact O-CB 3.27Å; R805-A809 WeakPolarHBondContact O-CB 3.45Å; R805-A809 PolarHBondContact O-N 2.91Å; R805-A809 VanDerWaalsContact O-N 3.13Å; R806-A809 PolarHBondContact O-N 3.27Å; A807-A809 VanDerWaalsContact C-N 3.27Å; A807-A809 PolarHBondContact O-N 3.06Å; A809-S814 WeakPolarHBondContact O-CB 3.45Å; A809-S814 PolarHBondContact O-N 2.96Å; A809-S814 PolarHBondContact O-OG 3.09Å |
| 810 | I | 76.3 | Confident | 66 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 54% | 0.544 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.9 | -44.1 | 173.4 | -67.3 | 160.6 | 0 | 0 | 0 | 110.3 | R806 A807 M808 G813 L816 | R806-I810 WeakPolarHBondContact O-CD1 3.42Å; R806-I810 VanDerWaalsContact O-CG1 3.28Å; R806-I810 WeakPolarHBondContact O-CG1 3.49Å; R806-I810 PolarHBondContact O-N 3.31Å; R806-I810 VanDerWaalsContact O-N 3.14Å; A807-I810 WeakPolarHBondContact O-CB 3.26Å; A807-I810 PolarHBondContact O-N 3.15Å; M808-I810 VanDerWaalsContact C-N 3.34Å; M808-I810 PolarHBondContact O-N 2.72Å; I810-G813 PolarHBondContact O-N 3.48Å; I810-G813 VanDerWaalsContact O-N 3.08Å; I810-L816 HydrophobicContact CD1-CD1 3.99Å; I810-L816 HydrophobicContact CG1-CD1 3.68Å; I810-L816 HydrophobicContact CG1-CG 4.37Å |
| 811 | E | 75.9 | Confident | 63.9 | Low | 164 Ų | 164 | 107.2 Ų | 107.2 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.3 | -38.9 | -177.4 | -171.7 | 167.7 | -149.5 | 0 | 0 | 112.6 | A807 M808 G813 | A807-E811 WeakPolarHBondContact O-CB 3.18Å; A807-E811 PolarHBondContact O-N 2.99Å; M808-E811 PolarHBondContact O-N 2.83Å; E811-G813 PolarHBondContact O-N 3.12Å |
| 812 | L | 72.8 | Confident | 61.8 | Low | 149 Ų | 149 | 108.7 Ų | 108.7 | 78% | 0.78 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 13.7 | 171.7 | -66.3 | 171.1 | 0 | 0 | 0 | 113.6 | M808 S814 | M808-L812 WeakPolarHBondContact O-CB 3.43Å; M808-L812 WeakPolarHBondContact O-CG 3.35Å; M808-L812 PolarHBondContact O-N 3.03Å; L812-S814 PolarHBondContact O-N 2.99Å; L812-S814 VanDerWaalsContact O-N 3.12Å |
| 813 | G | 61.8 | Low | 59.9 | Low | 62 Ų | 62 | 105.3 Ų | 105.3 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.9 | 13.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I810 E811 V815 | I810-G813 PolarHBondContact O-N 3.48Å; I810-G813 VanDerWaalsContact O-N 3.08Å; E811-G813 PolarHBondContact O-N 3.12Å; G813-V815 PolarHBondContact O-N 3Å |
| 814 | S | 55.1 | Low | 57.7 | Low | 64 Ų | 64 | 106.1 Ų | 106.1 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | trans | -75.8 | 123.1 | -178.1 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | A809 L812 L816 | A809-S814 WeakPolarHBondContact O-CB 3.45Å; A809-S814 PolarHBondContact O-N 2.96Å; A809-S814 PolarHBondContact O-OG 3.09Å; L812-S814 PolarHBondContact O-N 2.99Å; L812-S814 VanDerWaalsContact O-N 3.12Å; S814-L816 PolarHBondContact O-N 2.85Å | ||
| 815 | V | 49.4 | Very low | 55.4 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 88% | 0.879 | 64% | 0.643 | S | S | * | * | trans | -63.6 | 119 | -174.3 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | G813 G817 | G813-V815 PolarHBondContact O-N 3Å; V815-G817 PolarHBondContact O-N 2.99Å | ||
| 816 | L | 47.1 | Very low | 53.4 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | trans | -65.6 | 93.7 | 177.2 | -85.4 | 167.5 | 0 | 0 | 0 | 111.2 | I810 S814 N818 | I810-L816 HydrophobicContact CD1-CD1 3.99Å; I810-L816 HydrophobicContact CG1-CD1 3.68Å; I810-L816 HydrophobicContact CG1-CG 4.37Å; S814-L816 PolarHBondContact O-N 2.85Å; L816-N818 PolarHBondContact O-N 2.92Å | ||
| 817 | G | 45.9 | Very low | 51.5 | Low | 57 Ų | 57 | 105.8 Ų | 105.8 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | trans | -61 | 102.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V815 S819 | V815-G817 PolarHBondContact O-N 2.99Å; G817-S819 PolarHBondContact O-N 2.67Å; G817-S819 PolarHBondContact O-OG 3.36Å | ||
| 818 | N | 37.7 | Very low | 49.3 | Very low | 160 Ų | 160 | 108.1 Ų | 108.1 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -57.9 | 92.6 | -179.6 | -94.4 | -16 | 0 | 0 | 0 | 111.9 | L816 | L816-N818 PolarHBondContact O-N 2.92Š| ||
| 819 | S | 40.1 | Very low | 47.4 | Very low | 101 Ų | 101 | 108.2 Ų | 108.2 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | -118 | 87.4 | 177 | 36.5 | 0 | 0 | 0 | 0 | 108.5 | G817 D821 | G817-S819 PolarHBondContact O-N 2.67Å; G817-S819 PolarHBondContact O-OG 3.36Å; S819-D821 VanDerWaalsContact C-N 3.32Å; S819-D821 PolarHBondContact O-N 2.75Å | ||
| 820 | S | 35.8 | Very low | 45.5 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | -77.2 | 67 | -167.5 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | S822 | S820-S822 PolarHBondContact O-N 3.31Å; S820-S822 PolarHBondContact O-OG 3.01Å | ||
| 821 | D | 38.5 | Very low | 43.5 | Very low | 157 Ų | 157 | 111 Ų | 111 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -74.7 | 92.6 | -173.4 | -132.8 | -18.7 | 0 | 0 | 0 | 113 | S819 | S819-D821 VanDerWaalsContact C-N 3.32Å; S819-D821 PolarHBondContact O-N 2.75Å | ||
| 822 | S | 35.1 | Very low | 41.7 | Very low | 109 Ų | 109 | 108.4 Ų | 108.4 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | -111.2 | 76.4 | -171.4 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | S820 | S820-S822 PolarHBondContact O-N 3.31Å; S820-S822 PolarHBondContact O-OG 3.01Å | ||
| 823 | S | 39.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 104.7 Ų | 104.7 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | trans | -156.1 | 132.5 | 164.4 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 824 | S | 36.5 | Very low | 38.8 | Very low | 75 Ų | 75 | 111.6 Ų | 111.6 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | cis | 84.2 | 64.5 | 41.3 | 86.8 | 0 | 0 | 0 | 0 | 115 | S826 | S824-S826 PolarHBondContact O-N 3.16Š| ||
| 825 | H | 31.1 | Very low | 37.9 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | 20 | 95.4 | 143.4 | 9.2 | -89.1 | 0 | 0 | 0 | 118 | ||||
| 826 | S | 37 | Very low | 37.2 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -157 | 112.3 | 155.5 | 41.1 | 0 | 0 | 0 | 0 | 107.2 | S824 | S824-S826 PolarHBondContact O-N 3.16Š| ||
| 827 | S | 34.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | 73.2 | 118 | 76.2 | 75.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 828 | S | 33.2 | Very low | 36.1 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 63 | 112.9 | 154.6 | 63.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 829 | S | 34.2 | Very low | 36.1 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 72.2 | 154.1 | 130 | 68.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 830 | S | 37.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | 66.6 | 137.9 | -177.1 | 70.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 831 | G | 35.4 | Very low | 35.9 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 106.4 | 129.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 832 | S | 37.9 | Very low | 35.9 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 70.3 | 143.9 | -175.7 | -93.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 833 | S | 38.3 | Very low | 36.1 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 50% | 0.497 | 78% | 0.779 | S | S | . | * | cis | -173.8 | 166.4 | -9.1 | -115.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 834 | Y | 34.2 | Very low | 36 | Very low | 207 Ų | 207 | 144.9 Ų | 144.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 44.1 | 123.4 | 155.5 | -36.7 | -48.6 | 0 | 0 | 0 | 121.3 | ||||
| 835 | R | 36.2 | Very low | 36 | Very low | 259 Ų | 259 | 148.6 Ų | 148.6 | 98% | 0.977 | 79% | 0.79 | S | S | * | * | -153.6 | 120 | 120.6 | -108.4 | 174.4 | -167.6 | -126.7 | 1.8 | 109.6 | |||||
| 836 | N | 35.4 | Very low | 36.7 | Very low | 168 Ų | 168 | 147 Ų | 147 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -127.6 | 138 | 174.5 | -152.8 | 2 | 0 | 0 | 0 | 107.5 | ||||
| 837 | S | 35.4 | Very low | 36.7 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -147.7 | 78.4 | -172.2 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 838 | S | 35.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -70.7 | 140 | 169 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 839 | R | 36.4 | Very low | 37.5 | Very low | 245 Ų | 245 | 147.6 Ų | 147.6 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -146.5 | 116.8 | 170.4 | -141.1 | 174.3 | -171.1 | 178.9 | 2.3 | 109.9 | ||||
| 840 | A | 35.9 | Very low | 37.9 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -98.4 | 137.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 841 | R | 37 | Very low | 37.7 | Very low | 245 Ų | 245 | 154.2 Ų | 154.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -149.5 | 116.3 | 158.1 | -72.1 | -178.9 | 171.4 | 172.1 | -5.8 | 104.2 | ||||
| 842 | S | 38.3 | Very low | 37.8 | Very low | 108 Ų | 108 | 162 Ų | 162 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | cis | 75.1 | 127.2 | 31 | -157.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 843 | R | 38.7 | Very low | 37.8 | Very low | 241 Ų | 241 | 164.9 Ų | 164.9 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | 85.2 | 148.1 | -172.1 | -54.7 | 171 | -176.3 | -169.9 | -0.1 | 116 | ||||
| 844 | R | 37.1 | Very low | 37.7 | Very low | 196 Ų | 196 | 167.2 Ų | 167.2 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | cis | -175.5 | 154.9 | -32.7 | -147.6 | 175.6 | -179.9 | -164.8 | 0.4 | 108.8 | ||||
| 845 | F | 37.1 | Very low | 37.9 | Very low | 152 Ų | 152 | 161.9 Ų | 161.9 | 67% | 0.667 | 81% | 0.814 | S | S | * | * | trans | 68.6 | 153.8 | 157.1 | -69.5 | -33.3 | 0 | 0 | 0 | 118.4 | ||||
| 846 | Q | 44.5 | Very low | 37.9 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | cis | -157.3 | 163.6 | -5.9 | -100.1 | -86.2 | 34 | 0 | 0 | 110.2 | ||||
| 847 | A | 38 | Very low | 38 | Very low | 77 Ų | 77 | 157.5 Ų | 157.5 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 33.1 | 144.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 848 | S | 37.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 156.9 Ų | 156.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | 89.8 | 155.1 | 12.2 | -36.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 849 | P | 47.2 | Very low | 38.1 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | -144.6 | 160.6 | -96.8 | 38 | -16.4 | 0 | 0 | 0 | 119.9 | |||||
| 850 | T | 41.5 | Very low | 38.1 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -161 | 152.6 | 161.8 | 38.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 851 | R | 33.8 | Very low | 38.2 | Very low | 222 Ų | 222 | 151 Ų | 151 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | cis | 102 | 77.5 | 3.3 | -157.5 | -171.5 | -179.4 | -102.5 | -3.7 | 120.2 | ||||
| 852 | R | 38.3 | Very low | 38.3 | Very low | 232 Ų | 232 | 150.7 Ų | 150.7 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -177.5 | 132 | 147.7 | -95.1 | 156.4 | -173 | -102.4 | 5.5 | 106.7 | ||||
| 853 | Q | 37.2 | Very low | 38.5 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 74 | 135.6 | 57.5 | -83.6 | -167.5 | -18 | 0 | 0 | 115.8 | |||||
| 854 | S | 37.4 | Very low | 38.5 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | 70.2 | 155.6 | 175.1 | 71.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 855 | S | 37.2 | Very low | 38.8 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | cis | -173.9 | 140.3 | -36.2 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 856 | M | 36.4 | Very low | 39.1 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | 70.3 | 156.1 | 154.7 | -40.1 | -154.8 | 71.4 | 0 | 0 | 121.5 | ||||
| 857 | Y | 38.4 | Very low | 39.8 | Very low | 197 Ų | 197 | 146 Ų | 146 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 67.5 | 148.4 | 160.4 | -42.9 | -53.7 | 0 | 0 | 0 | 118.1 | ||||
| 858 | S | 37.1 | Very low | 40 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -163 | 150.5 | -15.8 | -100.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 859 | S | 35.4 | Very low | 39.9 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 38 | 116.7 | 144.9 | -53.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 860 | S | 35.6 | Very low | 39.4 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | 174.2 | 130.7 | 127.2 | -79.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 861 | S | 38.7 | Very low | 39.1 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | 101.7 | 99.7 | 19.3 | -166.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 862 | R | 39.9 | Very low | 39.2 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 173.1 | 112 | 156.3 | -92.3 | 153.8 | -150.5 | -103.8 | 5 | 106.3 | ||||
| 863 | K | 41.4 | Very low | 39.3 | Very low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 88.4 | 149.7 | 56.4 | -76.5 | -162.5 | 174.3 | -170.8 | 0 | 114.1 | |||||
| 864 | Y | 39.3 | Very low | 39.3 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | 80 | 107.1 | -165.8 | -62.9 | -80.5 | 0 | 0 | 0 | 114.1 | ||||
| 865 | S | 42.4 | Very low | 39.3 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | 96 | 117.1 | 27.7 | -161.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 866 | P | 44.2 | Very low | 39.9 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -96.8 | 161.1 | -178.4 | 38.1 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 867 | P | 58.9 | Low | 40.1 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -96.1 | 168.3 | 167.9 | 37.5 | -33 | 0 | 0 | 0 | 113.7 | ||||
| 868 | P | 42 | Very low | 40.3 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -115 | -164.2 | -160.3 | 43.5 | -34.3 | 0 | 0 | 0 | 116.7 | ||||
| 869 | L | 35.2 | Very low | 40.5 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 163.9 | -168.1 | -57.5 | 164.7 | 0 | 0 | 0 | 116.5 | ||||
| 870 | H | 36.7 | Very low | 40.8 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 144.8 | 159.1 | 149.6 | -82.9 | -155.7 | 0 | 0 | 0 | 111.3 | ||||
| 871 | S | 35.4 | Very low | 41.3 | Very low | 88 Ų | 88 | 149 Ų | 149 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | cis | -172.2 | 136.1 | -32.7 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 872 | T | 36.6 | Very low | 41.3 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | 67.2 | 167.8 | 147.6 | 43.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 873 | Y | 39.1 | Very low | 41.5 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 82.5 | 138.6 | 173.4 | -55.9 | -73.1 | 0 | 0 | 0 | 117.7 | ||||
| 874 | S | 39 | Very low | 41.6 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | cis | -156 | 145 | -12.2 | -82.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 875 | R | 36 | Very low | 41.8 | Very low | 217 Ų | 217 | 142.3 Ų | 142.3 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | 76.2 | 146.5 | 56.7 | -120.7 | -163.3 | -167.3 | -106 | 5.8 | 116.8 | |||||
| 876 | P | 51 | Low | 41.7 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | -137.1 | -100.8 | 105.3 | 35.1 | -18.5 | 0 | 0 | 0 | 117.4 | |||||
| 877 | R | 38.8 | Very low | 41.5 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -158.4 | 148.8 | -158.2 | 169.4 | -178.9 | 166.9 | 169.8 | -4 | 114.9 | E879 | R877-E879 IonicContact CZ-OE1 2.96Å; R877-E879 IonicContact NE-OE1 3.89Å; R877-E879 PolarHBondContact NE-OE1 3.43Å; R877-E879 IonicContact NH2-OE1 3.76Å; R877-E879 PolarHBondContact NH2-OE1 2.91Å | ||
| 878 | I | 43.6 | Very low | 41.2 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 166.3 | 89.5 | 136.9 | -82.1 | 159 | 0 | 0 | 0 | 106.8 | ||||
| 879 | E | 41.7 | Very low | 41.2 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | 81.9 | 127.1 | 100.6 | -73.4 | 157.5 | -151.2 | 0 | 0 | 113.4 | R877 | R877-E879 IonicContact CZ-OE1 2.96Å; R877-E879 IonicContact NE-OE1 3.89Å; R877-E879 PolarHBondContact NE-OE1 3.43Å; R877-E879 IonicContact NH2-OE1 3.76Å; R877-E879 PolarHBondContact NH2-OE1 2.91Å | |||
| 880 | S | 41.8 | Very low | 41.5 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -155.9 | -161.6 | 4.4 | 59 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 881 | E | 44.9 | Very low | 41.7 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | cis | -148.7 | -109.3 | 6.3 | -129.8 | -51.4 | 16.5 | 0 | 0 | 111.2 | ||||
| 882 | R | 40.6 | Very low | 42 | Very low | 218 Ų | 218 | 140.2 Ų | 140.2 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | -124.6 | 160.1 | -173.9 | -70.5 | 153.9 | -133.3 | -145.2 | 7.6 | 113 | ||||
| 883 | G | 43 | Very low | 42.3 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 162.3 | 170.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 884 | L | 42.9 | Very low | 42.4 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | 77.3 | 113.8 | 159.4 | -50.8 | -177.5 | 0 | 0 | 0 | 122.6 | ||||
| 885 | L | 43.6 | Very low | 42.6 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | 57.4 | 138.7 | 122.2 | -56.2 | 174.2 | 0 | 0 | 0 | 121.6 | |||||
| 886 | G | 39.8 | Very low | 43 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | cis | -176.5 | -175.1 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 887 | S | 41.9 | Very low | 43.3 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -157.7 | 151 | -176.1 | -45.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 888 | P | 52.3 | Low | 43.6 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -129 | 146.9 | 143 | 11.9 | 11 | 0 | 0 | 0 | 111.9 | ||||
| 889 | S | 41.3 | Very low | 43.7 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 67.1 | 137 | 62.3 | -67.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 890 | R | 41.1 | Very low | 44.7 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | cis | -168.7 | 146.2 | 9.2 | -140.5 | 175.2 | 174.4 | 175.8 | -3.2 | 113.2 | ||||
| 891 | A | 41.5 | Very low | 44.5 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 59.7 | 174.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 892 | V | 42.3 | Very low | 44.2 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | cis | -145.1 | 151.3 | 4.6 | -143.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 893 | D | 42.1 | Very low | 44.2 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 50.3 | 132.7 | 144 | -80.5 | 1 | 0 | 0 | 0 | 127 | ||||
| 894 | A | 42.3 | Very low | 44 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | 94.3 | 125.1 | 126.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 895 | R | 41.4 | Very low | 43.8 | Very low | 244 Ų | 244 | 134.3 Ų | 134.3 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 82.5 | 150.1 | 146.3 | -67.7 | 165.9 | -168.5 | -106.6 | 0.9 | 120.3 | ||||
| 896 | L | 46.2 | Very low | 43.6 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -93.7 | 158.9 | -175.9 | -59 | 165.7 | 0 | 0 | 0 | 112 | ||||
| 897 | P | 56.5 | Low | 43.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -118.8 | 155.3 | 149.4 | 36.6 | -27.5 | 0 | 0 | 0 | 113.7 | ||||
| 898 | S | 45.6 | Very low | 43.2 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 165 | 176.1 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 899 | P | 45.5 | Very low | 42.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 154.3 | -177 | 32.6 | -36.4 | 0 | 0 | 0 | 113.5 | ||
| 900 | P | 61.6 | Low | 42.7 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 158.5 | 176.1 | 34.7 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 901 | S | 37.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -128.3 | -176.2 | 164.1 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 902 | N | 40.4 | Very low | 42.6 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 82.1 | 145.4 | -177.3 | -52.6 | -32 | 0 | 0 | 0 | 115.5 | ||||
| 903 | T | 39 | Very low | 42.4 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 64% | 0.638 | 78% | 0.784 | S | S | * | * | cis | -170.2 | 161.5 | -20.6 | 31.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 904 | N | 39.2 | Very low | 42.3 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 84.6 | 151.8 | 151.6 | -59 | -29.3 | 0 | 0 | 0 | 121.4 | ||||
| 905 | L | 39.6 | Very low | 42.7 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 74.2 | 138.5 | 166 | -47.8 | -177.6 | 0 | 0 | 0 | 118.5 | ||||
| 906 | C | 38.9 | Very low | 42.9 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -166.5 | 152.4 | -36.5 | -126.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 907 | N | 39.7 | Very low | 42.6 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 72.2 | 130.9 | 154.5 | -56.2 | -9.5 | 0 | 0 | 0 | 122.1 | ||||
| 908 | Y | 33.9 | Very low | 41.8 | Very low | 227 Ų | 227 | 143.8 Ų | 143.8 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -101.8 | 157.3 | 157.8 | -85 | -96.4 | 0 | 0 | 0 | 109.6 | ||||
| 909 | P | 44.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | -139 | 156.5 | 98.8 | 34.6 | -19.8 | 0 | 0 | 0 | 112.7 | |||||
| 910 | R | 39.3 | Very low | 41.4 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | cis | 92.4 | 116.5 | 41 | -135 | -155.5 | -157.1 | -111.6 | 12.8 | 114.2 | ||||
| 911 | D | 37.4 | Very low | 40.4 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | trans | 48.7 | 124.5 | 157.5 | -48.6 | -29.7 | 0 | 0 | 0 | 122.4 | ||||
| 912 | T | 42.1 | Very low | 40.7 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | -170.9 | 123.5 | 123.4 | 13.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 913 | R | 39.5 | Very low | 40.8 | Very low | 243 Ų | 243 | 148.7 Ų | 148.7 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | 47.3 | 145.9 | 136.7 | -65.5 | 175.9 | 179.7 | 172.4 | -0.5 | 123.2 | ||||
| 914 | A | 38.7 | Very low | 41 | Very low | 92 Ų | 92 | 151.2 Ų | 151.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -132.2 | 156.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 915 | P | 51.7 | Low | 41.1 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -120.2 | 123.2 | 158.7 | 34.6 | -22 | 0 | 0 | 0 | 111.4 | ||||
| 916 | T | 44.1 | Very low | 41.3 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | 72 | 109.7 | 68.4 | 65.5 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 917 | N | 39.7 | Very low | 41.5 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 64.8 | 122 | 141.5 | -58.3 | -31.2 | 0 | 0 | 0 | 122.2 | ||||
| 918 | R | 40.6 | Very low | 41.4 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | -174.1 | 163 | 103.3 | -99.2 | 173.5 | -176.3 | -165 | 1.3 | 113.4 | |||||
| 919 | I | 36.4 | Very low | 42 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -141.9 | 134.6 | -178.7 | -56.5 | 170.4 | 0 | 0 | 0 | 109.1 | ||||
| 920 | P | 46.1 | Very low | 42.1 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -133 | 148.4 | 122.3 | 29.3 | -14.4 | 0 | 0 | 0 | 111 | |||||
| 921 | R | 40.5 | Very low | 42.2 | Very low | 226 Ų | 226 | 139.9 Ų | 139.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | cis | 83.1 | 139.8 | 41.3 | -81 | -165.2 | 168.8 | -134.7 | -0.4 | 115.1 | ||||
| 922 | S | 44 | Very low | 42.3 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 72.7 | 147 | -175.5 | 75.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 923 | S | 43.1 | Very low | 42.1 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | cis | -172.1 | 143.2 | -22.9 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 924 | N | 42.2 | Very low | 42.3 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | 62.5 | 150.2 | 154.1 | -63.4 | -5.4 | 0 | 0 | 0 | 118 | ||||
| 925 | S | 42.5 | Very low | 42.3 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -170 | 163.4 | -9.2 | 46.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 926 | L | 42.2 | Very low | 41.7 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 76.4 | 124 | 155.5 | -69 | 157.6 | 0 | 0 | 0 | 121.3 | ||||
| 927 | L | 44.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | 63.5 | 118.9 | 141.3 | -61.1 | 168.3 | 0 | 0 | 0 | 121.2 | ||||
| 928 | G | 38.3 | Very low | 41.5 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 166.8 | 126.6 | 164 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 929 | S | 45.1 | Very low | 41.5 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -90.2 | 158 | -179.3 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 930 | P | 46.6 | Very low | 41.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -85.8 | 126.2 | -161.6 | 31.9 | -35.6 | 0 | 0 | 0 | 115.9 | ||||
| 931 | I | 40.3 | Very low | 41.6 | Very low | 140 Ų | 140 | 148 Ų | 148 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | 42.2 | 104.7 | 117.3 | -56.4 | 175.5 | 0 | 0 | 0 | 116.5 | N933 | I931-N933 HydrophobicContact CG2-CB 3.81Š| |||
| 932 | Q | 40.3 | Very low | 41.8 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -73.1 | 145.3 | 135.5 | -65.7 | 169.6 | -48.9 | 0 | 0 | 108.3 | ||||
| 933 | N | 38.9 | Very low | 41.7 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -153.1 | 129.8 | 163 | -120.9 | 3.2 | 0 | 0 | 0 | 111.3 | I931 | I931-N933 HydrophobicContact CG2-CB 3.81Š| ||
| 934 | P | 43.6 | Very low | 41.6 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -78.1 | 162.5 | 165.7 | 34.8 | -34 | 0 | 0 | 0 | 110.6 | ||||
| 935 | Y | 39 | Very low | 41.4 | Very low | 219 Ų | 219 | 141 Ų | 141 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -129.6 | 118.3 | 165.8 | -84.1 | -80.9 | 0 | 0 | 0 | 110 | ||||
| 936 | S | 38.2 | Very low | 41.2 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -138.1 | 145.5 | 165.1 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 937 | T | 38.3 | Very low | 41.1 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | 59.2 | 116.7 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 938 | S | 41.6 | Very low | 40.9 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -134 | 137.2 | 133.3 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 939 | R | 39.2 | Very low | 41 | Very low | 239 Ų | 239 | 143.4 Ų | 143.4 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -94.3 | 133.4 | 171.5 | -72.1 | 173.2 | 170 | 160.5 | -4.5 | 107.4 | ||||
| 940 | D | 46.1 | Very low | 40.6 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -135.8 | 150.4 | 164.1 | -137.5 | -31.2 | 0 | 0 | 0 | 111.4 | ||||
| 941 | R | 39.2 | Very low | 40.4 | Very low | 245 Ų | 245 | 147.1 Ų | 147.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -106.4 | 109 | -169.2 | -76.3 | 179.7 | 168.4 | 178.7 | -3.9 | 111.4 | ||||
| 942 | G | 45.3 | Very low | 40.3 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 150 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 943 | S | 41.5 | Very low | 40.5 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -130.4 | 146.6 | -170.4 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 944 | V | 40.4 | Very low | 40.5 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | 56.3 | 156.6 | 170.9 | -63.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 945 | S | 38.5 | Very low | 40.5 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | cis | -141.6 | 176.8 | 6.2 | -156.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 946 | S | 38.9 | Very low | 40.8 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -113.4 | 153.8 | -161.5 | -48.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 947 | S | 40.2 | Very low | 40.7 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -171.8 | 147.3 | 144.1 | -83.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 948 | S | 39.5 | Very low | 40.9 | Very low | 94 Ų | 94 | 153.4 Ų | 153.4 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | cis | 171.2 | 150.1 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 949 | R | 39.7 | Very low | 40.9 | Very low | 210 Ų | 210 | 152.3 Ų | 152.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | 83.3 | 152.9 | -163.7 | -58.7 | 164.9 | -67.1 | -176.9 | 1.5 | 112.6 | ||||
| 950 | F | 37.8 | Very low | 40.9 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | -166.5 | 163.2 | -7.1 | -108.6 | 170.7 | 0 | 0 | 0 | 108.4 | ||||
| 951 | I | 41.4 | Very low | 40.6 | Very low | 142 Ų | 142 | 149 Ų | 149 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | cis | -155.7 | 149.8 | -14.2 | -154.8 | 169.1 | 0 | 0 | 0 | 109.1 | ||||
| 952 | G | 39.2 | Very low | 40.6 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 71.6 | 155.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 953 | S | 44.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | cis | -146.5 | 170.4 | -9.9 | -86.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 954 | R | 38.4 | Very low | 40.3 | Very low | 209 Ų | 209 | 147.9 Ų | 147.9 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | -109.7 | 138.7 | -165.6 | 150.8 | -165.3 | 171.1 | -174.2 | 3.4 | 110.7 | ||||
| 955 | E | 44.3 | Very low | 40.5 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -163.2 | 175.9 | 137.1 | -134.8 | 74.4 | -88.3 | 0 | 0 | 111.1 | ||||
| 956 | E | 44.3 | Very low | 40.8 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 156.3 | -150.5 | -56 | -175 | 133.1 | 0 | 0 | 117.7 | ||||
| 957 | Q | 36.5 | Very low | 41 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -82.7 | 132.1 | 158.7 | -66.1 | -179.4 | -6.8 | 0 | 0 | 110.8 | ||||
| 958 | R | 43.5 | Very low | 41.2 | Very low | 235 Ų | 235 | 153.6 Ų | 153.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -137.9 | 146.8 | 147.8 | -78.5 | -164 | 173.5 | -111.2 | -4.1 | 111 | ||||
| 959 | S | 39.6 | Very low | 41.4 | Very low | 96 Ų | 96 | 153.8 Ų | 153.8 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -108.7 | 174.1 | -165.7 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 960 | Y | 39.6 | Very low | 41.7 | Very low | 224 Ų | 224 | 155.9 Ų | 155.9 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | 84.6 | 115.5 | 159.3 | -72.1 | -71.8 | 0 | 0 | 0 | 120.6 | ||||
| 961 | S | 39.8 | Very low | 42.1 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 94.2 | 105.1 | 119.1 | -158.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 962 | S | 40.7 | Very low | 42.2 | Very low | 97 Ų | 97 | 153.2 Ų | 153.2 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 77.6 | 124.1 | 121.4 | -158.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 963 | M | 37.8 | Very low | 42.4 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 70% | 0.7 | 81% | 0.805 | S | S | * | * | trans | 51.6 | 114.9 | 145.4 | -64.5 | -63.1 | 108.8 | 0 | 0 | 120.7 | ||||
| 964 | H | 41.8 | Very low | 42.6 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | -179.3 | 129 | 104.4 | -97.2 | -63.9 | 0 | 0 | 0 | 112.6 | |||||
| 965 | P | 44.5 | Very low | 42.9 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -87.2 | 144.1 | 155.1 | 34.2 | -30 | 0 | 0 | 0 | 110.3 | ||||
| 966 | R | 45.4 | Very low | 43.2 | Very low | 240 Ų | 240 | 160 Ų | 160 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -128.8 | 129.5 | 167.1 | -83.8 | -171.5 | 172.6 | -117.4 | -0 | 110.9 | ||||
| 967 | T | 41.9 | Very low | 43.6 | Very low | 145 Ų | 145 | 157.9 Ų | 157.9 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -101.6 | 137.7 | 175.2 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 968 | S | 44.3 | Very low | 44.4 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -177.7 | 147.5 | 158.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 969 | S | 45.1 | Very low | 44.5 | Very low | 97 Ų | 97 | 158.2 Ų | 158.2 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | cis | -172.1 | 165 | -43 | 53.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 970 | R | 45 | Very low | 44.7 | Very low | 254 Ų | 254 | 161.3 Ų | 161.3 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | 72.7 | 121 | 153.7 | -152.6 | 175.7 | -163.1 | 165.6 | 3.9 | 118.4 | ||||
| 971 | G | 47.5 | Very low | 45 | Very low | 80 Ų | 80 | 158 Ų | 158 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | 159.7 | 70.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 972 | E | 43.4 | Very low | 45.3 | Very low | 184 Ų | 184 | 160.9 Ų | 160.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -92.9 | 171.8 | 175 | -76.9 | -160.6 | 109.6 | 0 | 0 | 113.2 | ||||
| 973 | L | 43.4 | Very low | 45.5 | Very low | 154 Ų | 154 | 164.6 Ų | 164.6 | 81% | 0.806 | 84% | 0.841 | S | S | * | * | trans | 78.4 | 139.3 | 170 | -47.7 | 175.4 | 0 | 0 | 0 | 114.6 | ||||
| 974 | T | 47.5 | Very low | 46 | Very low | 136 Ų | 136 | 166.1 Ų | 166.1 | 83% | 0.834 | 85% | 0.85 | S | S | * | * | cis | -148.2 | 164.9 | 5 | -13.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 975 | K | 45.3 | Very low | 46.3 | Very low | 196 Ų | 196 | 165.8 Ų | 165.8 | 85% | 0.852 | 86% | 0.855 | S | S | * | * | trans | -85.5 | 142.3 | 178.7 | -56.3 | 170.3 | -177.3 | 172.4 | 0 | 113 | ||||
| 976 | R | 51.2 | Low | 46.4 | Very low | 234 Ų | 234 | 169.4 Ų | 169.4 | 88% | 0.883 | 86% | 0.862 | S | S | * | * | trans | 175.9 | 108.7 | 144.6 | -96.5 | 158.3 | -174.7 | -152.2 | 0.8 | 107.8 | ||||
| 977 | T | 52.3 | Low | 46.5 | Very low | 114 Ų | 114 | 164 Ų | 164 | 70% | 0.699 | 86% | 0.859 | S | S | * | * | 68.6 | 129 | 77.7 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 978 | D | 53.2 | Low | 46.9 | Very low | 150 Ų | 150 | 165.6 Ų | 165.6 | 80% | 0.802 | 86% | 0.856 | S | S | * | * | trans | 77 | 80.5 | 156.9 | -49.6 | -20.8 | 0 | 0 | 0 | 119.9 | ||||
| 979 | Q | 44.4 | Very low | 47.1 | Very low | 274 Ų | 274 | 170.3 Ų | 170.3 | 100% | 1.28 | 86% | 0.862 | S | S | * | * | -152.2 | 0 | 110.1 | -111.6 | 176.3 | 59.2 | 0 | 0 | 112 |
Retrieved 979 of 979 residues in 484 ms
(Link to these results)