| 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 | 48.6 | Very low | 47.4 | Very low | 239 Ų | 239 | 112.1 Ų | 112.1 | 100% | 1.177 | 71% | 0.711 | S | S | * | * | 0 | 149.2 | 0 | -56.2 | 93 | 102.1 | 0 | 0 | 108 | |||||
| 2 | V | 47.1 | Very low | 47.7 | Very low | 153 Ų | 153 | 112.8 Ų | 112.8 | 93% | 0.927 | 70% | 0.701 | S | S | * | * | cis | -118.5 | 140.5 | 9.6 | 175 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | G | 45.7 | Very low | 48 | Very low | 79 Ų | 79 | 113.4 Ų | 113.4 | 81% | 0.814 | 70% | 0.695 | S | S | * | * | trans | -156.8 | 132.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | G | 45.1 | Very low | 47.9 | Very low | 62 Ų | 62 | 112.5 Ų | 112.5 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | trans | 172.8 | -32 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 5 | G | 45 | Very low | 47.8 | Very low | 61 Ų | 61 | 109.9 Ų | 109.9 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -66.9 | -54.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K7 M8 | G5-K7 VanDerWaalsContact C-N 3.31Å; G5-K7 PolarHBondContact O-N 3.44Å; G5-M8 PolarHBondContact O-N 3.1Å; G5-M8 VanDerWaalsContact O-N 3.13Å |
| 6 | G | 44.4 | Very low | 47.7 | Very low | 67 Ų | 67 | 113.3 Ų | 113.3 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -59.5 | -34 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | M8 | G6-M8 VanDerWaalsContact C-N 3.31Å; G6-M8 PolarHBondContact O-N 3.49Å |
| 7 | K | 46.6 | Very low | 47.7 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.4 | -22.3 | -178.7 | -69.7 | -168.5 | 174 | -171.2 | 0 | 113.7 | G5 L11 | G5-K7 VanDerWaalsContact C-N 3.31Å; G5-K7 PolarHBondContact O-N 3.44Å; K7-L11 VanDerWaalsContact O-CB 3.32Å; K7-L11 WeakPolarHBondContact O-CB 3.21Å; K7-L11 WeakPolarHBondContact O-CD1 3.34Å; K7-L11 VanDerWaalsContact O-CG 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.34Å; K7-L11 PolarHBondContact O-N 3.17Å |
| 8 | M | 48.3 | Very low | 47.5 | Very low | 120 Ų | 120 | 112.1 Ų | 112.1 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.1 | -35.1 | -176.6 | -151.3 | -173 | -68.3 | 0 | 0 | 112.1 | G5 G6 L11 M12 | G5-M8 PolarHBondContact O-N 3.1Å; G5-M8 VanDerWaalsContact O-N 3.13Å; G6-M8 VanDerWaalsContact C-N 3.31Å; G6-M8 PolarHBondContact O-N 3.49Å; M8-L11 PolarHBondContact O-N 3.34Å; M8-M12 HydrophobicContact CG-CE 4.23Å; M8-M12 WeakPolarHBondContact O-CB 3.37Å; M8-M12 VanDerWaalsContact O-CG 3.31Å; M8-M12 WeakPolarHBondContact O-CG 3.36Å; M8-M12 PolarHBondContact O-N 3.37Å; M8-M12 HydrophobicContact SD-CE 4.09Å |
| 9 | A | 50.5 | Low | 47.2 | Very low | 64 Ų | 64 | 110.4 Ų | 110.4 | 53% | 0.529 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.9 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M12 L13 | A9-M12 PolarHBondContact O-N 3.02Å; A9-L13 PolarHBondContact O-N 3.07Å; A9-L13 VanDerWaalsContact O-N 3.08Å |
| 10 | E | 49.8 | Very low | 47.1 | Very low | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 175.1 | -169.5 | 175.5 | -148.9 | 0 | 0 | 111.4 | L14 | E10-L14 HydrophobicContact CG-CD1 4.48Å; E10-L14 WeakPolarHBondContact O-CG 3.26Å; E10-L14 PolarHBondContact O-N 2.83Å; E10-L14 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 50.7 | Low | 47 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.8 | -35.5 | 173.7 | -73.8 | 171 | 0 | 0 | 0 | 112.6 | K7 M8 L14 S15 | K7-L11 VanDerWaalsContact O-CB 3.32Å; K7-L11 WeakPolarHBondContact O-CB 3.21Å; K7-L11 WeakPolarHBondContact O-CD1 3.34Å; K7-L11 VanDerWaalsContact O-CG 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.34Å; K7-L11 PolarHBondContact O-N 3.17Å; M8-L11 PolarHBondContact O-N 3.34Å; L11-L14 CarbonylContact O-C 3.59Å; L11-L14 PolarHBondContact O-N 2.91Å; L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 3.42Å |
| 12 | M | 50.6 | Low | 46.8 | Very low | 121 Ų | 121 | 106.7 Ų | 106.7 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -45.1 | 176.2 | -78.8 | 176.1 | 178.9 | 0 | 0 | 111.5 | M8 A9 L14 S15 E16 | M8-M12 HydrophobicContact CG-CE 4.23Å; M8-M12 WeakPolarHBondContact O-CB 3.37Å; M8-M12 VanDerWaalsContact O-CG 3.31Å; M8-M12 WeakPolarHBondContact O-CG 3.36Å; M8-M12 PolarHBondContact O-N 3.37Å; M8-M12 HydrophobicContact SD-CE 4.09Å; A9-M12 PolarHBondContact O-N 3.02Å; M12-L14 VanDerWaalsContact C-N 3.27Å; M12-L14 PolarHBondContact O-N 3.06Å; M12-S15 WeakPolarHBondContact O-CB 3.47Å; M12-S15 PolarHBondContact O-N 3.27Å; M12-E16 PolarHBondContact O-N 3.07Å |
| 13 | L | 51.9 | Low | 46.8 | Very low | 120 Ų | 120 | 105.1 Ų | 105.1 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.6 | -33.5 | 174.9 | -122.5 | 96.1 | 0 | 0 | 0 | 112.7 | A9 I17 | A9-L13 PolarHBondContact O-N 3.07Å; A9-L13 VanDerWaalsContact O-N 3.08Å; L13-I17 WeakPolarHBondContact O-CD1 3.39Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å |
| 14 | L | 46.1 | Very low | 46.6 | Very low | 101 Ų | 101 | 109.2 Ų | 109.2 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.3 | -30.4 | 172.7 | -72.4 | 167.7 | 0 | 0 | 0 | 112.7 | E10 L11 M12 I17 A18 | E10-L14 HydrophobicContact CG-CD1 4.48Å; E10-L14 WeakPolarHBondContact O-CG 3.26Å; E10-L14 PolarHBondContact O-N 2.83Å; E10-L14 VanDerWaalsContact O-N 3.11Å; L11-L14 CarbonylContact O-C 3.59Å; L11-L14 PolarHBondContact O-N 2.91Å; M12-L14 VanDerWaalsContact C-N 3.27Å; M12-L14 PolarHBondContact O-N 3.06Å; L14-I17 PolarHBondContact O-N 3.11Å; L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.41Å; L14-A18 VanDerWaalsContact O-N 3.14Å |
| 15 | S | 46.8 | Very low | 46.4 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 51% | 0.51 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.3 | -40.5 | 177.8 | -58 | 0 | 0 | 0 | 0 | 111.4 | L11 M12 I17 A18 D19 | L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 3.42Å; M12-S15 WeakPolarHBondContact O-CB 3.47Å; M12-S15 PolarHBondContact O-N 3.27Å; S15-I17 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact O-N 2.84Å; S15-D19 PolarHBondContact O-N 3.11Å |
| 16 | E | 45.5 | Very low | 46.2 | Very low | 164 Ų | 164 | 114.2 Ų | 114.2 | 77% | 0.766 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -15.5 | 176.8 | -164.2 | 167.5 | -161.4 | 0 | 0 | 113 | M12 | M12-E16 PolarHBondContact O-N 3.07Š|
| 17 | I | 48.6 | Very low | 46.3 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 68% | 0.677 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -14.3 | 172.9 | -63.1 | 170.4 | 0 | 0 | 0 | 111.9 | L13 L14 S15 | L13-I17 WeakPolarHBondContact O-CD1 3.39Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L14-I17 PolarHBondContact O-N 3.11Å; S15-I17 PolarHBondContact O-N 2.92Å |
| 18 | A | 44.5 | Very low | 46.3 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 60% | 0.603 | 61% | 0.612 | S | S | * | * | trans | -104 | 7.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L14 S15 P20 | L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.41Å; L14-A18 VanDerWaalsContact O-N 3.14Å; S15-A18 PolarHBondContact O-N 2.84Å; A18-P20 VanDerWaalsContact O-CD 3.25Å; A18-P20 WeakPolarHBondContact O-CD 3.35Å | ||
| 19 | D | 40.5 | Very low | 46.1 | Very low | 80 Ų | 80 | 114.8 Ų | 114.8 | 43% | 0.428 | 61% | 0.606 | S | S | . | * | trans | -74.4 | 109.5 | 178.8 | -166.3 | -20.8 | 0 | 0 | 0 | 111.1 | S15 T21 | S15-D19 PolarHBondContact O-N 3.11Å; D19-T21 VanDerWaalsContact CG-OG1 3.28Å; D19-T21 PolarHBondContact O-N 3.46Å; D19-T21 WeakPolarHBondContact OD1-CB 3.49Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.33Å; D19-T21 PolarHBondContact OD1-N 3.01Å; D19-T21 VanDerWaalsContact OD1-N 3.14Å; D19-T21 PolarHBondContact OD1-OG1 2.9Å; D19-T21 PolarHBondContact OD2-OG1 3.44Å | ||
| 20 | P | 45.8 | Very low | 46 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -72.4 | -14.3 | -175.1 | 32.4 | -36.4 | 0 | 0 | 0 | 112.5 | A18 R22 F23 F24 | A18-P20 VanDerWaalsContact O-CD 3.25Å; A18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-R22 PolarHBondContact O-N 3.1Å; P20-F23 WeakPolarHBondContact O-CB 3.43Å; P20-F23 PolarHBondContact O-N 3.28Å; P20-F23 VanDerWaalsContact O-N 3.15Å; P20-F24 WeakPolarHBondContact O-CD2 3.27Å |
| 21 | T | 45.5 | Very low | 45.8 | Very low | 91 Ų | 91 | 112.6 Ų | 112.6 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -68.2 | -33.9 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | D19 F23 F24 | D19-T21 VanDerWaalsContact CG-OG1 3.28Å; D19-T21 PolarHBondContact O-N 3.46Å; D19-T21 WeakPolarHBondContact OD1-CB 3.49Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.33Å; D19-T21 PolarHBondContact OD1-N 3.01Å; D19-T21 VanDerWaalsContact OD1-N 3.14Å; D19-T21 PolarHBondContact OD1-OG1 2.9Å; D19-T21 PolarHBondContact OD2-OG1 3.44Å; T21-F23 PolarHBondContact O-N 3.48Å; T21-F24 PolarHBondContact O-N 2.82Å |
| 22 | R | 44.5 | Very low | 45.5 | Very low | 204 Ų | 204 | 113.2 Ų | 113.2 | 77% | 0.77 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -71.1 | -11.4 | 173.2 | -77.6 | -161.2 | -178.7 | -153.7 | 6.7 | 114.6 | P20 F24 T25 | P20-R22 PolarHBondContact O-N 3.1Å; R22-F24 VanDerWaalsContact C-N 3.3Å; R22-T25 PolarHBondContact O-OG1 3.46Å |
| 23 | F | 45.7 | Very low | 45.3 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 53% | 0.531 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -77 | -16.6 | 176.5 | -99.1 | -89.5 | 0 | 0 | 0 | 113.7 | P20 T21 N27 | P20-F23 WeakPolarHBondContact O-CB 3.43Å; P20-F23 PolarHBondContact O-N 3.28Å; P20-F23 VanDerWaalsContact O-N 3.15Å; T21-F23 PolarHBondContact O-N 3.48Å; F23-N27 PolarHBondContact O-ND2 3.27Å |
| 24 | F | 42.5 | Very low | 45.3 | Very low | 164 Ų | 164 | 113 Ų | 113 | 72% | 0.719 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -22.5 | -176.8 | -74.8 | -82.7 | 0 | 0 | 0 | 114.6 | P20 T21 R22 | P20-F24 WeakPolarHBondContact O-CD2 3.27Å; T21-F24 PolarHBondContact O-N 2.82Å; R22-F24 VanDerWaalsContact C-N 3.3Å |
| 25 | T | 41.4 | Very low | 45.1 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 56% | 0.564 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -33.6 | 179.5 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | R22 | R22-T25 PolarHBondContact O-OG1 3.46Š|
| 26 | D | 39.2 | Very low | 44.7 | Very low | 136 Ų | 136 | 114 Ų | 114 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -98 | 1.8 | -170.3 | -64.8 | 26.2 | 0 | 0 | 0 | 112.3 | ||
| 27 | N | 46.6 | Very low | 44.5 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | trans | -125.9 | 63.4 | 171.9 | -70 | -85.9 | 0 | 0 | 0 | 110.4 | F23 L29 | F23-N27 PolarHBondContact O-ND2 3.27Å; N27-L29 PolarHBondContact O-N 2.92Å | ||
| 28 | L | 47 | Very low | 44.3 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 81% | 0.806 | 59% | 0.592 | S | S | * | * | trans | -74.5 | 70.6 | 163.8 | -66.8 | 178.5 | 0 | 0 | 0 | 110.5 | ||||
| 29 | L | 45 | Very low | 44.1 | Very low | 89 Ų | 89 | 117 Ų | 117 | 47% | 0.466 | 60% | 0.597 | S | S | . | * | trans | -132.6 | 112.2 | 146.9 | -77.7 | 173.3 | 0 | 0 | 0 | 104.9 | N27 D33 | N27-L29 PolarHBondContact O-N 2.92Å; L29-D33 VanDerWaalsContact CA-OD2 3.25Å; L29-D33 WeakPolarHBondContact CA-OD2 3.43Å; L29-D33 HydrophobicContact CD2-CB 4.19Å | ||
| 30 | S | 47 | Very low | 43.9 | Very low | 49 Ų | 49 | 118 Ų | 118 | 34% | 0.343 | 61% | 0.611 | S | S | . | * | trans | -77.5 | 166.3 | -177.2 | 83.1 | 0 | 0 | 0 | 0 | 110.5 | E32 D33 | S30-E32 WeakPolarHBondContact CB-OE2 3.29Å; S30-E32 PolarHBondContact O-N 3.48Å; S30-E32 PolarHBondContact OG-N 3.04Å; S30-E32 PolarHBondContact OG-OE2 3.36Å; S30-D33 PolarHBondContact N-OD2 3.13Å; S30-D33 PolarHBondContact O-N 3.2Å | ||
| 31 | P | 46.6 | Very low | 43.5 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54.1 | -35.9 | 173.3 | -26.4 | 36 | 0 | 0 | 0 | 112.7 | D33 W34 | P31-D33 VanDerWaalsContact C-N 3.32Å; P31-D33 PolarHBondContact O-N 3.04Å; P31-W34 PolarHBondContact O-N 3.35Å |
| 32 | E | 44.8 | Very low | 43.2 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.5 | -26 | -177.2 | -56.8 | 73.8 | -157.6 | 0 | 0 | 113.2 | S30 W34 D35 S36 | S30-E32 WeakPolarHBondContact CB-OE2 3.29Å; S30-E32 PolarHBondContact O-N 3.48Å; S30-E32 PolarHBondContact OG-N 3.04Å; S30-E32 PolarHBondContact OG-OE2 3.36Å; E32-W34 PolarHBondContact O-N 2.89Å; E32-D35 PolarHBondContact O-N 2.92Å; E32-S36 VanDerWaalsContact O-CB 3.27Å; E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 2.81Å; E32-S36 PolarHBondContact O-OG 2.82Å |
| 33 | D | 46.5 | Very low | 42.7 | Very low | 76 Ų | 76 | 117.1 Ų | 117.1 | 41% | 0.406 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.7 | -27.7 | 177.8 | -75 | -46.5 | 0 | 0 | 0 | 113 | L29 S30 P31 | L29-D33 VanDerWaalsContact CA-OD2 3.25Å; L29-D33 WeakPolarHBondContact CA-OD2 3.43Å; L29-D33 HydrophobicContact CD2-CB 4.19Å; S30-D33 PolarHBondContact N-OD2 3.13Å; S30-D33 PolarHBondContact O-N 3.2Å; P31-D33 VanDerWaalsContact C-N 3.32Å; P31-D33 PolarHBondContact O-N 3.04Å |
| 34 | W | 50.5 | Low | 42.4 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.3 | -33.6 | -177.8 | -71.6 | 90.8 | 0 | 0 | 0 | 113.2 | P31 E32 | P31-W34 PolarHBondContact O-N 3.35Å; E32-W34 PolarHBondContact O-N 2.89Å |
| 35 | D | 41.9 | Very low | 42.1 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -92.2 | -30.7 | -178.5 | -68 | -28 | 0 | 0 | 0 | 112.2 | E32 T37 L38 | E32-D35 PolarHBondContact O-N 2.92Å; D35-T37 PolarHBondContact O-N 3.26Å; D35-T37 VanDerWaalsContact O-N 3.09Å; D35-L38 PolarHBondContact O-N 3.5Å |
| 36 | S | 38.8 | Very low | 41.9 | Very low | 69 Ų | 69 | 119.1 Ų | 119.1 | 48% | 0.483 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -20.1 | -175.9 | -62.6 | 0 | 0 | 0 | 0 | 115 | E32 S40 | E32-S36 VanDerWaalsContact O-CB 3.27Å; E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 2.81Å; E32-S36 PolarHBondContact O-OG 2.82Å; S36-S40 PolarHBondContact O-OG 2.79Å |
| 37 | T | 41.6 | Very low | 41.7 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -9 | -176 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | D35 | D35-T37 PolarHBondContact O-N 3.26Å; D35-T37 VanDerWaalsContact O-N 3.09Å |
| 38 | L | 43.6 | Very low | 40.9 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 71% | 0.707 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -5 | -175.7 | -74 | 174.9 | 0 | 0 | 0 | 115 | D35 | D35-L38 PolarHBondContact O-N 3.5Š|
| 39 | Y | 40.5 | Very low | 40.1 | Very low | 185 Ų | 185 | 123.7 Ų | 123.7 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -128.9 | -22.6 | 178 | -125.6 | -94.9 | 0 | 0 | 0 | 115.4 | G41 L42 | Y39-G41 PolarHBondContact O-N 2.87Å; Y39-L42 PolarHBondContact O-N 2.89Å |
| 40 | S | 37.4 | Very low | 39.3 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 7.8 | -175.4 | -48.3 | 0 | 0 | 0 | 0 | 115.8 | S36 | S36-S40 PolarHBondContact O-OG 2.79Š|
| 41 | G | 36.8 | Very low | 38.6 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 10.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y39 | Y39-G41 PolarHBondContact O-N 2.87Š|
| 42 | L | 39.8 | Very low | 37.6 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -127.8 | 4.7 | -178.2 | -78.1 | 172.6 | 0 | 0 | 0 | 114.5 | Y39 | Y39-L42 PolarHBondContact O-N 2.89Š|
| 43 | D | 33.9 | Very low | 36.7 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -108 | 20 | -175.8 | -152 | 39.1 | 0 | 0 | 0 | 113.8 | ||
| 44 | E | 39.2 | Very low | 35.8 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -123.3 | 36.5 | 171.5 | -151.4 | 179.5 | -141.2 | 0 | 0 | 111.7 | ||
| 45 | V | 37.1 | Very low | 34.6 | Very low | 139 Ų | 139 | 140 Ų | 140 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -130.3 | 47.3 | 170.9 | -160.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | A | 35.5 | Very low | 34 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -137.9 | 121.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 47 | E | 36 | Very low | 33.5 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | cis | -134.3 | 143.5 | 2.3 | -57.3 | -175.9 | 88.8 | 0 | 0 | 111.7 | Q49 | E47-Q49 PolarHBondContact OE1-NE2 3.19Š| ||
| 48 | E | 29.9 | Very low | 33 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -132.6 | 103 | 143.1 | -93.9 | -149.4 | 134 | 0 | 0 | 109.3 | A50 | E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 2.83Å | ||
| 49 | Q | 30.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -77.9 | 74.8 | 175.8 | -61.6 | -173 | 22.6 | 0 | 0 | 110.9 | E47 P51 | E47-Q49 PolarHBondContact OE1-NE2 3.19Å; Q49-P51 VanDerWaalsContact O-CD 3.27Å; Q49-P51 WeakPolarHBondContact O-CD 3.46Å | ||
| 50 | A | 27 | Very low | 31.7 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 63% | 0.628 | 78% | 0.783 | S | S | * | * | trans | -72.2 | 113.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E48 L52 | E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 2.83Å; A50-L52 PolarHBondContact O-N 3.31Å | ||
| 51 | P | 32.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 101.6 | -170.1 | 32.2 | -34.1 | 0 | 0 | 0 | 112.5 | Q49 | Q49-P51 VanDerWaalsContact O-CD 3.27Å; Q49-P51 WeakPolarHBondContact O-CD 3.46Å | ||
| 52 | L | 25.8 | Very low | 31.2 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -111.9 | 49.6 | 179.7 | -85.8 | 173.5 | 0 | 0 | 0 | 115.2 | A50 | A50-L52 PolarHBondContact O-N 3.31Š| ||
| 53 | F | 26.7 | Very low | 30.6 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 93% | 0.934 | 79% | 0.786 | S | S | * | * | trans | -141.6 | 81 | 160.1 | -82.3 | -65.7 | 0 | 0 | 0 | 113.7 | ||||
| 54 | R | 27.2 | Very low | 30.4 | Very low | 233 Ų | 233 | 147.3 Ų | 147.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -144.1 | 125 | 142.8 | -169.3 | 164.8 | -71.7 | -171.3 | -0.5 | 111.6 | V56 | R54-V56 HydrophobicContact CG-CG2 4.25Š| ||
| 55 | C | 25.8 | Very low | 30 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -93 | 127.5 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 56 | V | 30.1 | Very low | 30.1 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -148 | 120.6 | 165.3 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | R54 | R54-V56 HydrophobicContact CG-CG2 4.25Š| ||
| 57 | E | 27.3 | Very low | 30 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -168.3 | 142.3 | 151.3 | -97 | -176.1 | 134.1 | 0 | 0 | 103.2 | ||||
| 58 | Q | 31.9 | Very low | 29.8 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | -156.6 | 161.8 | 7.7 | -109.5 | -157.2 | -65.7 | 0 | 0 | 106.3 | ||||
| 59 | D | 27.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 144 Ų | 144 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | cis | -175.1 | 175.2 | -8.6 | -162.3 | -9.1 | 0 | 0 | 0 | 109.5 | ||||
| 60 | V | 29.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | 67 | 162.5 | 159.6 | -94.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 61 | P | 35.4 | Very low | 30.6 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | -128.6 | -170.4 | -128.5 | 46.4 | -30.8 | 0 | 0 | 0 | 115.2 | |||||
| 62 | F | 27.7 | Very low | 30.6 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | trans | -163 | 125.9 | 137.4 | -106.8 | -68.6 | 0 | 0 | 0 | 113.3 | ||||
| 63 | D | 27.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 41.8 | 144.3 | 152.1 | -61.8 | -7.5 | 0 | 0 | 0 | 125.9 | ||||
| 64 | S | 30.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 78.2 | 100.4 | 150.9 | -56.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 65 | N | 29.1 | Very low | 32 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -53.5 | 155.1 | 136.7 | -98.9 | -15.4 | 0 | 0 | 0 | 110.3 | ||||
| 66 | P | 40.9 | Very low | 32.4 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -151.8 | -175.4 | 50.3 | 45.1 | -25.9 | 0 | 0 | 0 | 117.9 | |||||
| 67 | L | 33 | Very low | 32.8 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 71.9 | 106.7 | 159.6 | -68.9 | 168 | 0 | 0 | 0 | 119.7 | ||||
| 68 | D | 32.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | 63.3 | 148.6 | 106.7 | -157.4 | 24.8 | 0 | 0 | 0 | 121.9 | |||||
| 69 | V | 34.3 | Very low | 33.7 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 63.5 | 127.1 | 173 | -162.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 70 | G | 30.2 | Very low | 34.6 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 159.4 | 110.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 71 | M | 37.4 | Very low | 34.7 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -96 | 156.3 | 166.6 | -80 | 178.6 | 56.4 | 0 | 0 | 111.4 | ||||
| 72 | D | 32.2 | Very low | 35.5 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 83.4 | 167 | 146.6 | -150.6 | 13.6 | 0 | 0 | 0 | 119.6 | ||||
| 73 | V | 33.1 | Very low | 35.7 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 87.2 | 115.3 | 174.4 | -167.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 74 | S | 36.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 160.1 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 75 | P | 39.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 152.3 | -177.1 | 30.3 | -37.1 | 0 | 0 | 0 | 113.6 | ||
| 76 | P | 35.6 | Very low | 36.4 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 138.2 | 169.5 | 32.7 | -33.4 | 0 | 0 | 0 | 112 | ||
| 77 | E | 36.9 | Very low | 36.8 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 156.8 | 169 | -78.8 | -170.8 | 112.8 | 0 | 0 | 112.5 | ||
| 78 | P | 42.8 | Very low | 36.7 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 141.3 | -177.5 | 31.8 | -35.3 | 0 | 0 | 0 | 112.8 | W80 | P78-W80 PolarHBondContact O-N 3.32Š|
| 79 | P | 37.1 | Very low | 36.6 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -76.8 | 107.5 | 176 | 30.7 | -33.7 | 0 | 0 | 0 | 111.8 | ||||
| 80 | W | 45.4 | Very low | 36.5 | Very low | 229 Ų | 229 | 136.9 Ų | 136.9 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -95.6 | 134.8 | 147.8 | -67 | 86.7 | 0 | 0 | 0 | 108.1 | P78 | P78-W80 PolarHBondContact O-N 3.32Š| ||
| 81 | D | 31.4 | Very low | 36.4 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | 176.9 | 167.7 | 145.1 | -106.2 | 2.9 | 0 | 0 | 0 | 111.5 | ||||
| 82 | P | 52.6 | Low | 35.9 | Very low | 94 Ų | 94 | 140 Ų | 140 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | -143.1 | -140.5 | -71.3 | 37.5 | -14.3 | 0 | 0 | 0 | 112.3 | |||||
| 83 | L | 30.9 | Very low | 36 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 91 | 151.5 | 163.2 | -53.9 | -172.5 | 0 | 0 | 0 | 116.9 | ||||
| 84 | P | 41.8 | Very low | 35.9 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | -142.8 | -173.4 | -88.3 | 30.5 | -5.2 | 0 | 0 | 0 | 114.2 | |||||
| 85 | I | 30.2 | Very low | 36.6 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | 160.1 | 124.6 | 122.7 | -81.4 | 160 | 0 | 0 | 0 | 110.6 | |||||
| 86 | F | 30.7 | Very low | 36.2 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -89 | -163.1 | 176.4 | -72.2 | -85.6 | 0 | 0 | 0 | 109.6 | ||||
| 87 | P | 48.6 | Very low | 36 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -144.1 | -163.6 | 5.7 | 39.5 | -15.3 | 0 | 0 | 0 | 117.3 | ||||
| 88 | D | 30.1 | Very low | 36.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | trans | 80.1 | 130.8 | 157.4 | -67.5 | -31.6 | 0 | 0 | 0 | 119 | Q90 | D88-Q90 PolarHBondContact OD1-NE2 2.84Š| ||
| 89 | L | 30.6 | Very low | 35.5 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | cis | -130.1 | 134.6 | 4 | -69.2 | 172.9 | 0 | 0 | 0 | 109.5 | ||||
| 90 | Q | 32 | Very low | 35.1 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | 67.4 | 136.7 | 69.2 | -64.9 | -172.9 | 54.1 | 0 | 0 | 115.6 | D88 | D88-Q90 PolarHBondContact OD1-NE2 2.84Š| |||
| 91 | V | 29.4 | Very low | 34.5 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | cis | -172.4 | 173.6 | -23.5 | 99.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 92 | K | 25.9 | Very low | 34.3 | Very low | 191 Ų | 191 | 129 Ų | 129 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 90.3 | 140 | 156.7 | -147 | 165.2 | -173 | 171.1 | 0 | 119.3 | ||||
| 93 | S | 34.3 | Very low | 33.2 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -165.2 | 162.6 | -30.4 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 94 | E | 32.4 | Very low | 33 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -50.4 | 178.8 | 162.5 | -109.2 | 175.7 | -137.2 | 0 | 0 | 116.7 | ||||
| 95 | P | 51.6 | Low | 32.3 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | cis | -157.5 | 178.7 | 44.2 | 44.6 | -21.9 | 0 | 0 | 0 | 122.5 | ||||
| 96 | S | 30.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 109.9 | 133.7 | 139.5 | -62.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 97 | S | 30.2 | Very low | 32 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -105.1 | -173.6 | 174.5 | -41.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 98 | P | 46.1 | Very low | 31 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | -151 | -174.6 | 77.9 | 39.7 | -18.4 | 0 | 0 | 0 | 116.7 | |||||
| 99 | C | 24.6 | Very low | 31 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -121.9 | 175.6 | -170.5 | -39.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 100 | S | 29.2 | Very low | 31 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 179.8 | 134.7 | 140.5 | -82.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 101 | S | 30.9 | Very low | 30.9 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 54.7 | 155.7 | 136.7 | -56.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 102 | S | 28.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -174.8 | 168.6 | -0.2 | 32.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 103 | S | 28.6 | Very low | 30.9 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | 166.9 | 157.8 | -15.7 | -169.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 104 | L | 28.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 123 Ų | 123 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | 78.4 | 121.8 | 161 | -61.2 | 176.9 | 0 | 0 | 0 | 123.1 | ||||
| 105 | S | 27.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 43 | 153.5 | 129.2 | 66.9 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 106 | S | 28.1 | Very low | 30.2 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -174.2 | 164 | -11.9 | -94 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 107 | E | 26.3 | Very low | 30.3 | Very low | 172 Ų | 172 | 118.1 Ų | 118.1 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 64.5 | 132.4 | 161.1 | -70.4 | 160.9 | 112.8 | 0 | 0 | 117.3 | ||||
| 108 | S | 26.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | 64.1 | 133.3 | 76.2 | 124.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 109 | S | 29.9 | Very low | 29.6 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | cis | -171.9 | 146.8 | 28.5 | -103.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 110 | H | 30.3 | Very low | 31 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 33.5 | 137.9 | 148.8 | 44.1 | -115.7 | 0 | 0 | 0 | 127.2 | ||||
| 111 | L | 30.5 | Very low | 30.8 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | 70.2 | 161.5 | 149.2 | -61.1 | 159.8 | 0 | 0 | 0 | 119.2 | ||||
| 112 | S | 28.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -171 | 154.2 | -35.8 | -97.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 113 | A | 27 | Very low | 30.9 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 67.6 | 123.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 114 | E | 25.8 | Very low | 31.1 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | 12.6 | 169.6 | 120.6 | -101.5 | -145 | 103.6 | 0 | 0 | 122.9 | |||||
| 115 | P | 47.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 121 Ų | 121 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | cis | -143.9 | -176.5 | 11.1 | 42.8 | -23.3 | 0 | 0 | 0 | 119.2 | ||||
| 116 | S | 28.9 | Very low | 31.8 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | 84.3 | 128.7 | 136.1 | -159.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 117 | S | 32.5 | Very low | 31.7 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 67.4 | 145.2 | 138.3 | 58.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 118 | Q | 30.2 | Very low | 31.6 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | cis | -165.4 | 143.5 | 1.4 | -123 | 174.8 | 26.9 | 0 | 0 | 114.1 | ||||
| 119 | V | 33.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | trans | 62.2 | 151 | 131.4 | 137 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 120 | P | 53.1 | Low | 31.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | cis | -134.9 | -178.3 | -24 | 40.6 | -23.6 | 0 | 0 | 0 | 115.5 | ||||
| 121 | G | 25.9 | Very low | 31.6 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -174 | 24.4 | 176 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 122 | V | 30.9 | Very low | 31.7 | Very low | 161 Ų | 161 | 127 Ų | 127 | 98% | 0.976 | 76% | 0.76 | S | S | * | * | trans | 64.2 | 127.1 | 165.6 | -175.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 123 | G | 28.6 | Very low | 31.7 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 152.1 | 109 | 161 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 124 | E | 32.9 | Very low | 31.7 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -123.9 | 159.3 | -171.4 | -83.7 | -166.8 | 116.2 | 0 | 0 | 113.9 | ||||
| 125 | V | 35 | Very low | 32.7 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | cis | -173.5 | 174.9 | -31.8 | 113.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 126 | L | 34.8 | Very low | 32.3 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 78.1 | 135.6 | 173.3 | -76.1 | 155.2 | 0 | 0 | 0 | 117.4 | ||||
| 127 | S | 26.2 | Very low | 32.3 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -157.8 | 132.1 | -4 | 79.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 128 | V | 26 | Very low | 32 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 67.8 | 134.4 | 92.7 | 174.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 129 | K | 24.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | cis | -146.8 | 164.2 | 12.3 | -149 | 178.9 | -170.9 | -165 | 0 | 113.1 | E131 | K129-E131 WeakPolarHBondContact CE-OE2 3.38Å; K129-E131 IonicContact NZ-OE2 2.81Å; K129-E131 PolarHBondContact NZ-OE2 3.42Å | ||
| 130 | M | 35.2 | Very low | 31.7 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -127.5 | 141.4 | 155 | 169.5 | -168.8 | -76.1 | 0 | 0 | 107.9 | ||||
| 131 | E | 25.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | -164.6 | 165.7 | 159.7 | -126.2 | 169 | 171.9 | 0 | 0 | 113.4 | K129 | K129-E131 WeakPolarHBondContact CE-OE2 3.38Å; K129-E131 IonicContact NZ-OE2 2.81Å; K129-E131 PolarHBondContact NZ-OE2 3.42Å | ||
| 132 | S | 32.4 | Very low | 30.5 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -139 | 140.2 | 179.7 | 172 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | L | 28.5 | Very low | 30.4 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -177.8 | 157 | 157.6 | -107.4 | 165.3 | 0 | 0 | 0 | 112.7 | ||||
| 134 | A | 28.3 | Very low | 31 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -162.9 | 163.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 135 | P | 47.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -115.8 | -162.6 | -19.4 | 41 | -27.2 | 0 | 0 | 0 | 110.9 | ||||
| 136 | P | 37.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -135.3 | 172.1 | 124.8 | 38.5 | -29.7 | 0 | 0 | 0 | 114.6 | |||||
| 137 | L | 28.6 | Very low | 31 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -101.7 | -177.8 | 176.9 | -80.8 | 166.1 | 0 | 0 | 0 | 112.1 | ||||
| 138 | C | 27 | Very low | 31.2 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 90.9 | 145.9 | 170 | -59.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 139 | L | 28.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | cis | -170.5 | 149.1 | -28.7 | -119.5 | 170.3 | 0 | 0 | 0 | 109.8 | ||||
| 140 | L | 27.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 65.5 | 126.2 | 148.6 | -165.2 | 68.7 | 0 | 0 | 0 | 122.3 | ||||
| 141 | G | 26.6 | Very low | 30.9 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 153.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 142 | D | 26.9 | Very low | 30.8 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | cis | -157.6 | 159.6 | -16.4 | -102.6 | -44.5 | 0 | 0 | 0 | 109.4 | ||||
| 143 | D | 29.1 | Very low | 30.6 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -69 | 147.7 | 172.6 | -124.4 | -59.1 | 0 | 0 | 0 | 110.9 | ||||
| 144 | P | 42.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | -153.6 | 139.7 | 100 | 37 | -18.4 | 0 | 0 | 0 | 118.1 | |||||
| 145 | A | 28.1 | Very low | 30.8 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 59.6 | 125.8 | 129.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 146 | S | 29.1 | Very low | 29.7 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -41.5 | 155.2 | 157.9 | -168.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 147 | P | 44.3 | Very low | 29.3 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | -136.4 | 167.9 | 99.4 | 34.7 | -21.7 | 0 | 0 | 0 | 116.7 | |||||
| 148 | F | 30.8 | Very low | 29.4 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | -52.8 | 171.1 | 168.5 | -43.8 | -99.1 | 0 | 0 | 0 | 113.4 | ||||
| 149 | E | 26.6 | Very low | 29.7 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | cis | -163.4 | 172.5 | 31.5 | -109.7 | -137.8 | 112 | 0 | 0 | 108.2 | ||||
| 150 | T | 27.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 57% | 0.571 | 76% | 0.757 | S | S | * | * | cis | 179.6 | 174 | -10.3 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 151 | V | 25.2 | Very low | 29.9 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 62.6 | 151.8 | 161.4 | 169.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 152 | Q | 23.9 | Very low | 30.9 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -168.8 | -176.2 | -35.5 | -86 | -174.4 | 12 | 0 | 0 | 106.7 | ||||
| 153 | I | 29 | Very low | 31.2 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 76.7 | 144.7 | 155.4 | -58 | -176.8 | 0 | 0 | 0 | 116.6 | ||||
| 154 | T | 26.1 | Very low | 31.3 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | cis | -167 | 156.7 | -30.6 | -82.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 155 | V | 34.7 | Very low | 30.9 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -78.5 | 144.1 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 156 | G | 24.6 | Very low | 30.9 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | -134.2 | 166 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 157 | S | 29.4 | Very low | 30.9 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -154.8 | -179.4 | -167.9 | -165.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 158 | V | 30.1 | Very low | 30 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | trans | 92.1 | 93.3 | 163.8 | -171.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 159 | A | 32.1 | Very low | 30.2 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | 72 | 159.1 | 115.9 | 0 | 0 | 0 | 0 | 0 | 126 | |||||
| 160 | D | 28.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | 88.9 | 144.5 | 154.1 | -59.6 | -28.9 | 0 | 0 | 0 | 123.4 | ||||
| 161 | D | 32.9 | Very low | 31.7 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -102 | -161.2 | -170.7 | -148.7 | 16.9 | 0 | 0 | 0 | 109.2 | ||||
| 162 | P | 48 | Very low | 31.9 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | cis | -146 | 162.8 | 8.5 | 43.6 | -22.2 | 0 | 0 | 0 | 121.1 | ||||
| 163 | S | 34 | Very low | 32.3 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 70.9 | 158.6 | 136 | -67.6 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 164 | D | 31.4 | Very low | 33 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 75.9 | 145.5 | 156.2 | -72.9 | -16.3 | 0 | 0 | 0 | 121.2 | ||||
| 165 | I | 33.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | cis | -157.1 | 143.5 | 4.5 | -118.9 | 159.1 | 0 | 0 | 0 | 112.7 | ||||
| 166 | Q | 29.1 | Very low | 32.9 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | 41.7 | 160.8 | 152.9 | -52.3 | -178.9 | 1.5 | 0 | 0 | 122.6 | ||||
| 167 | T | 27.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -164.5 | 149.6 | 20.9 | -23 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 168 | K | 26.5 | Very low | 32.9 | Very low | 195 Ų | 195 | 125 Ų | 125 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | 53 | 143.2 | 147.4 | -104.5 | -177.3 | 175.1 | -179.9 | 0 | 120.4 | ||||
| 169 | V | 33.4 | Very low | 32.7 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | cis | -152.5 | 160.6 | 27.1 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 170 | E | 29.3 | Very low | 32.5 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | -124.6 | -179.5 | 174.8 | -129.5 | -132.7 | 118.9 | 0 | 0 | 110 | ||||
| 171 | P | 56.7 | Low | 32.6 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -139.8 | 168.5 | 8.7 | 43.4 | -25.8 | 0 | 0 | 0 | 118.5 | ||||
| 172 | A | 28.7 | Very low | 32.3 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | -175.1 | 118.6 | 147 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 173 | S | 32.6 | Very low | 31.3 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -94.5 | -174.1 | 178.9 | -22.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 174 | P | 44.8 | Very low | 31 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -121.3 | 147.3 | -0.2 | 16.7 | 8.9 | 0 | 0 | 0 | 114.9 | ||||
| 175 | S | 28.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 71.4 | 137.1 | 78.7 | -45.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 176 | S | 29.1 | Very low | 30.6 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | cis | -169 | 164.6 | -1.6 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 177 | S | 24.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -145.3 | 153.7 | 170.2 | 58 | 0 | 0 | 0 | 0 | 113 | ||||
| 178 | V | 29.2 | Very low | 30.6 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | 57.6 | 131.3 | 166 | -59.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 179 | N | 27.1 | Very low | 30.7 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | 21.7 | 140.8 | 126.5 | -47.9 | -2.3 | 0 | 0 | 0 | 118.3 | |||||
| 180 | S | 28.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -162.4 | -161.2 | 17.6 | -117.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 181 | E | 28.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 121.9 Ų | 121.9 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | 93.3 | 145.9 | 173.9 | -60.5 | -146.1 | 117.3 | 0 | 0 | 116.9 | ||||
| 182 | A | 28.4 | Very low | 29.7 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | cis | -154.8 | 168.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 183 | S | 26.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 11.5 | 138.8 | 152.4 | -53.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 184 | L | 28.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | -177.2 | 169.6 | 100.8 | -95.9 | 173.8 | 0 | 0 | 0 | 113.9 | |||||
| 185 | L | 29.2 | Very low | 28.5 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 144.9 | -178 | -63 | 166.8 | 0 | 0 | 0 | 113 | ||||
| 186 | S | 26.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -168.2 | 158.4 | 144.6 | -82.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 187 | A | 30.5 | Very low | 28.5 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -123.8 | 149 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 188 | D | 25.6 | Very low | 28.7 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -163.8 | 174.7 | 130.9 | -135.9 | -31.8 | 0 | 0 | 0 | 112.6 | ||||
| 189 | S | 29.3 | Very low | 28.9 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -118.8 | -170 | 165.8 | -66.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 190 | P | 43.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -137.9 | -160.2 | -0.3 | 39.5 | -17.8 | 0 | 0 | 0 | 114.4 | ||||
| 191 | S | 28.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 70.5 | 150.7 | 159.3 | 24.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 192 | Q | 26.6 | Very low | 29.1 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | cis | -157.5 | 160.2 | -11.1 | -177.6 | 165.7 | 14.6 | 0 | 0 | 110.7 | ||||
| 193 | A | 26.4 | Very low | 29.1 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -42.3 | 158.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 194 | F | 25.6 | Very low | 29.4 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | -168.6 | 146.1 | 79.5 | -111.3 | -97.9 | 0 | 0 | 0 | 115.7 | |||||
| 195 | I | 28.6 | Very low | 29.3 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | 36.2 | 135.8 | 152.3 | -67.5 | 176.8 | 0 | 0 | 0 | 121.4 | ||||
| 196 | G | 27.9 | Very low | 29.5 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -178.7 | 22.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 197 | E | 29.3 | Very low | 30.2 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | 58.2 | -179.5 | 164.2 | -118.9 | 171.3 | 149.5 | 0 | 0 | 121.3 | ||||
| 198 | E | 29.6 | Very low | 30.3 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 157.6 | -160.8 | -56.2 | -176.8 | 107.1 | 0 | 0 | 117.1 | ||||
| 199 | V | 32.2 | Very low | 31.2 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -165.2 | 150.1 | 117.3 | 136.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 200 | L | 31.6 | Very low | 31.9 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 131.4 | 171.4 | -100.7 | 66.6 | 0 | 0 | 0 | 112.4 | ||||
| 201 | E | 29.1 | Very low | 31.1 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -116.5 | 129 | 156 | -79.1 | -150.9 | 124.9 | 0 | 0 | 112.1 | K203 | E201-K203 PolarHBondContact O-N 2.9Š| ||
| 202 | V | 28.5 | Very low | 31 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -88 | 103.7 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 109 | T204 | V202-T204 PolarHBondContact O-N 3.4Å; V202-T204 VanDerWaalsContact O-N 3.1Å | ||
| 203 | K | 28.3 | Very low | 31.3 | Very low | 208 Ų | 208 | 139.2 Ų | 139.2 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 85.7 | 179.4 | -167.4 | 174.3 | -175.8 | 177.5 | 0 | 111.4 | E201 | E201-K203 PolarHBondContact O-N 2.9Š| ||
| 204 | T | 31.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -75.3 | 139.3 | 171 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | V202 | V202-T204 PolarHBondContact O-N 3.4Å; V202-T204 VanDerWaalsContact O-N 3.1Å | ||
| 205 | E | 27.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 156.4 | -175.8 | -165.9 | -178.8 | 118.4 | 0 | 0 | 114 | ||||
| 206 | S | 32.8 | Very low | 31.3 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 154.1 | 169.6 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 207 | P | 41.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -101.3 | 165.2 | -139.1 | 37.8 | -38.6 | 0 | 0 | 0 | 117.4 | ||||
| 208 | S | 32.3 | Very low | 31.6 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -71.1 | 149.4 | 169.7 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 209 | P | 44.3 | Very low | 31.6 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -130.9 | -168.4 | 145 | 47.4 | -34.8 | 0 | 0 | 0 | 109.8 | ||||
| 210 | P | 43.8 | Very low | 32 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | -134.4 | -176.9 | -115.8 | 34.6 | -10.8 | 0 | 0 | 0 | 116 | |||||
| 211 | G | 27.7 | Very low | 31.9 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 122.7 | 133.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 212 | C | 26.3 | Very low | 31.9 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -92.5 | 154.5 | 172.1 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 213 | L | 32.4 | Very low | 31.9 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | -163.8 | 154.4 | 125.8 | -105.8 | 178 | 0 | 0 | 0 | 113.1 | |||||
| 214 | L | 27 | Very low | 31.8 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | trans | -48.5 | 138.2 | 174.6 | -173.8 | 65 | 0 | 0 | 0 | 113.2 | ||||
| 215 | W | 28.9 | Very low | 31.6 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | -173.6 | 155.3 | 92.6 | -94.5 | 106.9 | 0 | 0 | 0 | 115.7 | |||||
| 216 | D | 25.3 | Very low | 31.5 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 72.3 | 155.1 | 148.6 | -78.4 | -44.5 | 0 | 0 | 0 | 124.8 | ||||
| 217 | V | 29.9 | Very low | 31.5 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | -132.8 | 144.1 | -165.6 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 218 | P | 32.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -123.6 | 145 | 131.7 | -2.3 | 23.2 | 0 | 0 | 0 | 113.4 | ||||
| 219 | A | 29.6 | Very low | 30.5 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -96.6 | 179 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 220 | P | 40.3 | Very low | 29.7 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97 | 166.9 | -145.8 | 38.2 | -39.3 | 0 | 0 | 0 | 116.2 | ||
| 221 | S | 29.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 127.8 | 167.8 | 46.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 222 | L | 29.9 | Very low | 29.8 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 142.8 | 166.3 | -71.9 | 162.5 | 0 | 0 | 0 | 109.5 | ||
| 223 | G | 27.5 | Very low | 30.8 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -152.5 | 23.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 224 | A | 26.9 | Very low | 30.6 | Very low | 106 Ų | 106 | 129 Ų | 129 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 60.4 | 158.5 | 162 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 225 | V | 27.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -102.3 | 148 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | I227 | V225-I227 HydrophobicContact CG1-CD1 4.44Å; V225-I227 HydrophobicContact CG1-CG1 4.1Å | ||
| 226 | Q | 26.2 | Very low | 30.8 | Very low | 196 Ų | 196 | 123.9 Ų | 123.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -141.7 | 152 | 154.8 | -121.7 | -177.1 | 15.1 | 0 | 0 | 112.6 | ||||
| 227 | I | 31.2 | Very low | 31.1 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -132.6 | 129.5 | -172.9 | -60.2 | 171.3 | 0 | 0 | 0 | 109.7 | V225 | V225-I227 HydrophobicContact CG1-CD1 4.44Å; V225-I227 HydrophobicContact CG1-CG1 4.1Å | ||
| 228 | S | 26.1 | Very low | 31 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -164.6 | 119.3 | 155.9 | -86.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 229 | M | 27.8 | Very low | 30.9 | Very low | 181 Ų | 181 | 125 Ų | 125 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | 78.5 | 124.9 | 82 | -67.3 | -83.1 | -90.3 | 0 | 0 | 112.7 | |||||
| 230 | G | 26.3 | Very low | 30.7 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -83 | -160.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 231 | P | 42.5 | Very low | 30.8 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | cis | -140.1 | -176 | 45.8 | 41.2 | -23.3 | 0 | 0 | 0 | 116.5 | ||||
| 232 | S | 31.8 | Very low | 30.9 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -85.9 | 162.1 | 167.1 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 233 | P | 47.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -143.9 | 136.8 | 119.4 | 35.9 | -21.6 | 0 | 0 | 0 | 117.2 | |||||
| 234 | V | 28 | Very low | 31.1 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 47.9 | 116.9 | 130.1 | -174.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 235 | S | 27.7 | Very low | 31.3 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | -175.2 | 154.1 | 113.6 | -164.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 236 | S | 32.5 | Very low | 32.3 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -48.8 | 177.5 | 172.1 | 68.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 237 | S | 31.4 | Very low | 33.1 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -153.7 | 160.4 | 13.9 | -166 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 238 | G | 28.6 | Very low | 33.1 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -111.3 | 156.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 239 | K | 29.5 | Very low | 33.6 | Very low | 216 Ų | 216 | 130.5 Ų | 130.5 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -158.4 | 148.4 | 163.8 | -137.5 | 171.6 | -174.9 | 176.7 | 0 | 113.7 | ||||
| 240 | A | 27.1 | Very low | 34.1 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -149.5 | -176.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 241 | P | 41.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -143.4 | -176.5 | 1.7 | 44.2 | -25.8 | 0 | 0 | 0 | 117.3 | ||||
| 242 | A | 30.8 | Very low | 33.9 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 87.2 | 150.8 | 136.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 243 | T | 29.8 | Very low | 33.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 80.7 | 143.7 | 169.2 | 74.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 244 | R | 31.6 | Very low | 32.8 | Very low | 227 Ų | 227 | 134.4 Ų | 134.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -159.7 | 118 | 6.6 | -132.5 | 169.9 | -169.9 | -164.1 | 5.2 | 113.9 | ||||
| 245 | K | 32.5 | Very low | 32.9 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | 46.8 | 156.9 | 149.9 | -73 | -171.3 | 176.2 | -175.3 | 0 | 124.8 | ||||
| 246 | P | 48 | Very low | 33 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -107.1 | -171.4 | -174 | 45.5 | -37 | 0 | 0 | 0 | 113.8 | ||||
| 247 | P | 42.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | -131.8 | -156 | 86.8 | 20.3 | 4.2 | 0 | 0 | 0 | 111.9 | |||||
| 248 | L | 31.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | cis | -149.9 | -168.5 | 21 | -89.7 | 173.7 | 0 | 0 | 0 | 111.7 | ||||
| 249 | Q | 37.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | trans | -138 | 176.3 | 165.2 | -71.4 | -171.6 | -18.6 | 0 | 0 | 110.2 | ||||
| 250 | P | 37.6 | Very low | 32.6 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | -133.5 | 170.3 | 116.9 | 38.6 | -31.1 | 0 | 0 | 0 | 115.3 | |||||
| 251 | K | 29.7 | Very low | 33.2 | Very low | 173 Ų | 173 | 139 Ų | 139 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -118.2 | 163.6 | 176.7 | -95.7 | 179.8 | 178.5 | 176 | 0 | 110.7 | ||||
| 252 | P | 34.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 156.5 | -175.7 | 30.5 | -36.8 | 0 | 0 | 0 | 113.7 | ||
| 253 | V | 29.5 | Very low | 33.1 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 143.6 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 254 | V | 27.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 143.1 | 175.6 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 255 | L | 29.8 | Very low | 33.1 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -125 | 152.4 | 158.4 | -83.1 | 175.8 | 0 | 0 | 0 | 110.9 | ||||
| 256 | T | 30.2 | Very low | 34.1 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -104 | 158.9 | -154.4 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 257 | T | 29 | Very low | 33.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 154.8 | -177.2 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 258 | V | 29 | Very low | 33.3 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -140.1 | 153 | 162.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 259 | Q | 24.8 | Very low | 33.6 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -163.9 | 163.4 | -162.3 | -116.3 | -179.6 | 112.2 | 0 | 0 | 111.3 | ||||
| 260 | V | 30.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | cis | -136.9 | -59.1 | 5.7 | -162.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 261 | P | 38.8 | Very low | 33 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -129.8 | -161.7 | -134.3 | 48 | -31.7 | 0 | 0 | 0 | 115.1 | ||||
| 262 | P | 44.8 | Very low | 33 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | -141.4 | -177.4 | -97.1 | 42.9 | -21.9 | 0 | 0 | 0 | 117.3 | |||||
| 263 | R | 25.8 | Very low | 32.9 | Very low | 248 Ų | 248 | 134 Ų | 134 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | 69.6 | 110.9 | 143.5 | -171 | -174.8 | -170.8 | 165.5 | 3.8 | 120.8 | ||||
| 264 | A | 29.9 | Very low | 33 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -155.2 | 167.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 265 | G | 32.3 | Very low | 33.2 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -111.3 | -170.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 266 | P | 51.7 | Low | 33.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -89.9 | 178.9 | -165.5 | 39.2 | -39.4 | 0 | 0 | 0 | 114.4 | ||||
| 267 | P | 43 | Very low | 33.2 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | -138.5 | 174.4 | 100 | 40.1 | -29.1 | 0 | 0 | 0 | 115.3 | |||||
| 268 | S | 32.4 | Very low | 33.3 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -91.6 | 157.6 | -173.7 | -42.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 269 | T | 37 | Very low | 33.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -143.7 | 146.7 | 153.2 | -43 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 270 | T | 31 | Very low | 33.8 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -126.8 | 130.6 | -173.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | V | 31 | Very low | 33.7 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -144.1 | 142 | 162.5 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 272 | L | 30.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -80.9 | 164.8 | 176.6 | -65.8 | 78.4 | 0 | 0 | 0 | 111.5 | ||||
| 273 | L | 30.8 | Very low | 32.7 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | -165.1 | 172.3 | 122 | -103.9 | 163.4 | 0 | 0 | 0 | 111.5 | |||||
| 274 | Q | 32 | Very low | 33.6 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -117 | 149.7 | -152.9 | -155.3 | 163.8 | 18.9 | 0 | 0 | 111.9 | L276 | Q274-L276 PolarHBondContact O-N 2.87Š| ||
| 275 | P | 33.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -72.2 | 126.1 | -179.9 | 28.3 | -34.8 | 0 | 0 | 0 | 111.9 | ||||
| 276 | L | 29.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -91.2 | 111.5 | -179.3 | -177.1 | 62 | 0 | 0 | 0 | 111.5 | Q274 | Q274-L276 PolarHBondContact O-N 2.87Š| ||
| 277 | V | 29.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -90.6 | 140.2 | 162.6 | 175 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 278 | Q | 31 | Very low | 31.9 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -135.1 | 125.3 | 177 | -164.8 | 167.2 | 41.9 | 0 | 0 | 111.5 | ||||
| 279 | Q | 30.5 | Very low | 32 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -117.8 | 147.3 | 170.2 | -70 | -178.1 | -20.6 | 0 | 0 | 109.4 | ||||
| 280 | P | 33.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 156.6 | 165.9 | -9 | 27.1 | 0 | 0 | 0 | 112 | ||
| 281 | A | 29.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 282 | V | 33 | Very low | 31.8 | Very low | 148 Ų | 148 | 141 Ų | 141 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 161.5 | -176.1 | -67.2 | 0 | 0 | 0 | 0 | 114 | ||
| 283 | S | 30.5 | Very low | 31.9 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -142.5 | 142.3 | 164 | -176.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 284 | P | 44.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -102.8 | -162.3 | -171.1 | 40.2 | -35.8 | 0 | 0 | 0 | 114.4 | ||||
| 285 | V | 26.4 | Very low | 31.8 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | 88.6 | 127.7 | 175 | -177.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 286 | V | 31.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | cis | -150.7 | 162.8 | -11.9 | 111 | 0 | 0 | 0 | 0 | 110 | I288 | V286-I288 HydrophobicContact CG1-CG1 4.33Š| ||
| 287 | L | 28.6 | Very low | 32.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | -103.6 | 138.2 | 177.9 | -172.3 | 135.1 | 0 | 0 | 0 | 112.1 | Q289 | L287-Q289 HydrophobicContact CD2-CG 4.26Š| ||
| 288 | I | 35.5 | Very low | 32.8 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 80% | 0.795 | 82% | 0.816 | S | S | * | * | trans | -130.1 | 135.9 | 171.2 | -64.6 | -178.7 | 0 | 0 | 0 | 109.2 | V286 | V286-I288 HydrophobicContact CG1-CG1 4.33Š| ||
| 289 | Q | 33.7 | Very low | 33.6 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -90.7 | 152.7 | 177.2 | -62.3 | 176.7 | -1.5 | 0 | 0 | 111.4 | L287 | L287-Q289 HydrophobicContact CD2-CG 4.26Š| ||
| 290 | G | 32.8 | Very low | 33.8 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -172.8 | 96 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 291 | A | 31.2 | Very low | 34.4 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -100.2 | 145.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 292 | I | 31.9 | Very low | 34.5 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -164.6 | 170.9 | 155 | -104.2 | 151.1 | 0 | 0 | 0 | 109 | ||||
| 293 | R | 31.4 | Very low | 34.9 | Very low | 225 Ų | 225 | 134 Ų | 134 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -134.8 | 168.9 | -150.1 | -176.3 | -164.4 | 174.7 | -166.6 | 0.9 | 111.2 | ||||
| 294 | V | 31.8 | Very low | 35.2 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 97.5 | 147 | 160.2 | -167.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 295 | Q | 29.3 | Very low | 34.7 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -94.9 | -145.2 | 178 | -67.7 | -162.6 | 94.6 | 0 | 0 | 111.3 | ||||
| 296 | P | 52.9 | Low | 35.4 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | -123.5 | 166.5 | -83.2 | 33.8 | -18.4 | 0 | 0 | 0 | 114 | |||||
| 297 | E | 29.1 | Very low | 35.6 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -172.4 | 170.9 | 137.7 | -108.9 | -180 | 108 | 0 | 0 | 111.8 | ||||
| 298 | G | 31.6 | Very low | 36.5 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -105.4 | -153 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 299 | P | 46.8 | Very low | 36.8 | Very low | 134 Ų | 134 | 147 Ų | 147 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | cis | -127.5 | -175 | 0.1 | 42 | -26.3 | 0 | 0 | 0 | 114.7 | ||||
| 300 | A | 34.3 | Very low | 37 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 165.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 301 | P | 46.2 | Very low | 37.2 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | -128.2 | -164 | 75.6 | 42.4 | -31.6 | 0 | 0 | 0 | 111.6 | |||||
| 302 | A | 31.3 | Very low | 38 | Very low | 92 Ų | 92 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -153.8 | 177.7 | 8.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 303 | V | 42 | Very low | 38.4 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -143 | 140.9 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 304 | P | 37.4 | Very low | 38.5 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -115.5 | 151.1 | 146.3 | -0.3 | 21.7 | 0 | 0 | 0 | 113.1 | ||||
| 305 | R | 33 | Very low | 40 | Very low | 230 Ų | 230 | 137.5 Ų | 137.5 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 160.5 | 176.5 | -78.5 | 177.3 | 172.8 | 165 | -3 | 112 | ||
| 306 | P | 42.6 | Very low | 40.9 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 149.2 | -179.9 | 33.2 | -36 | 0 | 0 | 0 | 113.9 | ||
| 307 | E | 34.9 | Very low | 40.6 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 149.3 | 166.3 | -71.3 | -161 | 151.1 | 0 | 0 | 112.3 | K309 | E307-K309 WeakPolarHBondContact OE2-CE 3.27Å; E307-K309 IonicContact OE2-NZ 2.69Å; E307-K309 PolarHBondContact OE2-NZ 2.93Å |
| 308 | R | 47.6 | Very low | 41.3 | Very low | 248 Ų | 248 | 131.1 Ų | 131.1 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 137.9 | 171.4 | -65.5 | 173.8 | 173.2 | 167.9 | -4 | 110.4 | ||
| 309 | K | 40.9 | Very low | 41.6 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | -136.5 | 134.1 | 165.8 | -62.6 | -178.4 | -177.2 | 162.6 | 0 | 109.3 | E307 | E307-K309 WeakPolarHBondContact OE2-CE 3.27Å; E307-K309 IonicContact OE2-NZ 2.69Å; E307-K309 PolarHBondContact OE2-NZ 2.93Å | ||
| 310 | S | 38.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -105.8 | 137.8 | -176.4 | 178 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 311 | I | 37 | Very low | 42.8 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -144 | 140.6 | 158.2 | -79.3 | 105 | 0 | 0 | 0 | 107.6 | ||||
| 312 | V | 47.8 | Very low | 43.3 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -105.8 | 141.7 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 313 | P | 40.9 | Very low | 44.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -135.8 | 161.2 | 140.5 | 35.8 | -23 | 0 | 0 | 0 | 113.8 | ||||
| 314 | A | 33.9 | Very low | 45.4 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -150.2 | 170.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 315 | P | 62 | Low | 47 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -129.6 | -168.3 | -24.1 | 30.6 | -9.5 | 0 | 0 | 0 | 112.5 | ||||
| 316 | L | 48 | Very low | 49.3 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | 75.6 | 157.2 | 162 | -58.7 | 171 | 0 | 0 | 0 | 118.2 | ||||
| 317 | P | 47.9 | Very low | 51.3 | Low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | cis | -132.5 | 165.4 | -30.2 | 34.3 | -17.8 | 0 | 0 | 0 | 114.7 | ||||
| 318 | G | 42.7 | Very low | 53.9 | Low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | 86.9 | 76.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 319 | N | 39.4 | Very low | 56 | Low | 167 Ų | 167 | 114.1 Ų | 114.1 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | trans | -159.8 | 84.3 | 138.1 | -117 | -5.9 | 0 | 0 | 0 | 110.7 | C321 | N319-C321 PolarHBondContact O-N 3.41Š| ||
| 320 | S | 49.8 | Very low | 58.5 | Low | 114 Ų | 114 | 111 Ų | 111 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -89.9 | 91.1 | -168.8 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 321 | C | 56.4 | Low | 61.2 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -159.6 | 49.7 | 157.4 | -123.1 | 0 | 0 | 0 | 0 | 117.8 | N319 | N319-C321 PolarHBondContact O-N 3.41Š| ||
| 322 | P | 55.4 | Low | 63.9 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | trans | -129.8 | 60.8 | -178.8 | 42.2 | -23.3 | 0 | 0 | 0 | 116.4 | ||||
| 323 | P | 58.6 | Low | 66.2 | Low | 94 Ų | 94 | 112.2 Ų | 112.2 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -133.6 | -26.5 | 154.4 | 37.8 | -28.9 | 0 | 0 | 0 | 115 | A327 | P323-A327 WeakPolarHBondContact O-CB 3.4Å; P323-A327 PolarHBondContact O-N 3.02Å |
| 324 | E | 59.8 | Low | 68.8 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 58% | 0.575 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.3 | -30.2 | -168.7 | -151.3 | -158.6 | 148.7 | 0 | 0 | 112.8 | K328 | E324-K328 VanDerWaalsContact CD-NZ 3.27Å; E324-K328 WeakPolarHBondContact O-CD 3.43Å; E324-K328 VanDerWaalsContact O-CG 3.23Å; E324-K328 WeakPolarHBondContact O-CG 3.07Å; E324-K328 PolarHBondContact O-N 3.15Å; E324-K328 VanDerWaalsContact O-N 3.11Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; E324-K328 IonicContact OE1-NZ 3.99Å; E324-K328 PolarHBondContact OE1-NZ 2.88Å; E324-K328 IonicContact OE2-NZ 2.57Å |
| 325 | V | 71.2 | Confident | 71.8 | Confident | 102 Ų | 102 | 116.9 Ų | 116.9 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.9 | -45.4 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | K328 L329 | V325-K328 CarbonylContact O-C 3.58Å; V325-K328 WeakPolarHBondContact O-CA 3.45Å; V325-K328 WeakPolarHBondContact O-CB 3.34Å; V325-K328 PolarHBondContact O-N 3.42Å; V325-K328 VanDerWaalsContact O-N 3.08Å; V325-L329 PolarHBondContact O-N 3.45Å |
| 326 | D | 79.9 | Confident | 73.4 | Confident | 96 Ų | 96 | 116.7 Ų | 116.7 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.2 | -38 | 177.4 | -61.3 | -39.4 | 0 | 0 | 0 | 111.6 | K328 L329 L330 | D326-K328 VanDerWaalsContact C-N 3.26Å; D326-K328 PolarHBondContact O-N 3.34Å; D326-L329 PolarHBondContact O-N 2.78Å; D326-L330 VanDerWaalsContact O-CB 3.28Å; D326-L330 WeakPolarHBondContact O-CB 3.49Å; D326-L330 PolarHBondContact O-N 2.97Å |
| 327 | A | 84.3 | Confident | 75.7 | Confident | 40 Ų | 40 | 112.4 Ų | 112.4 | 33% | 0.331 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.5 | -34 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P323 K331 | P323-A327 WeakPolarHBondContact O-CB 3.4Å; P323-A327 PolarHBondContact O-N 3.02Å; A327-K331 VanDerWaalsContact O-CB 3.3Å; A327-K331 WeakPolarHBondContact O-CB 3.32Å; A327-K331 VanDerWaalsContact O-CD 3.32Å; A327-K331 WeakPolarHBondContact O-CD 3.37Å; A327-K331 WeakPolarHBondContact O-CG 3.3Å; A327-K331 PolarHBondContact O-N 2.78Å |
| 328 | K | 90.1 | Very high | 78.1 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 52% | 0.522 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.1 | -39.9 | 173.6 | -72.6 | 164.1 | -173.1 | 170.7 | 0 | 111.7 | E324 V325 D326 R332 | E324-K328 VanDerWaalsContact CD-NZ 3.27Å; E324-K328 WeakPolarHBondContact O-CD 3.43Å; E324-K328 VanDerWaalsContact O-CG 3.23Å; E324-K328 WeakPolarHBondContact O-CG 3.07Å; E324-K328 PolarHBondContact O-N 3.15Å; E324-K328 VanDerWaalsContact O-N 3.11Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; E324-K328 IonicContact OE1-NZ 3.99Å; E324-K328 PolarHBondContact OE1-NZ 2.88Å; E324-K328 IonicContact OE2-NZ 2.57Å; V325-K328 CarbonylContact O-C 3.58Å; V325-K328 WeakPolarHBondContact O-CA 3.45Å; V325-K328 WeakPolarHBondContact O-CB 3.34Å; V325-K328 PolarHBondContact O-N 3.42Å; V325-K328 VanDerWaalsContact O-N 3.08Å; D326-K328 VanDerWaalsContact C-N 3.26Å; D326-K328 PolarHBondContact O-N 3.34Å; K328-R332 WeakPolarHBondContact O-CB 3.48Å; K328-R332 PolarHBondContact O-N 2.89Å |
| 329 | L | 91.3 | Very high | 80.7 | Confident | 97 Ų | 97 | 115.5 Ų | 115.5 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.9 | -47.3 | 177.3 | -178.7 | 57.5 | 0 | 0 | 0 | 111.7 | V325 D326 K331 R332 Q333 | V325-L329 PolarHBondContact O-N 3.45Å; D326-L329 PolarHBondContact O-N 2.78Å; L329-K331 PolarHBondContact O-N 2.91Å; L329-R332 CarbonylContact O-C 3.56Å; L329-R332 WeakPolarHBondContact O-CA 3.36Å; L329-R332 WeakPolarHBondContact O-CB 3.3Å; L329-R332 PolarHBondContact O-N 3.18Å; L329-Q333 PolarHBondContact O-N 2.89Å |
| 330 | L | 93.6 | Very high | 83.5 | Confident | 109 Ų | 109 | 115 Ų | 115 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.4 | -41.9 | 176.3 | -172.9 | 65.7 | 0 | 0 | 0 | 111.4 | D326 R332 Q333 Q334 | D326-L330 VanDerWaalsContact O-CB 3.28Å; D326-L330 WeakPolarHBondContact O-CB 3.49Å; D326-L330 PolarHBondContact O-N 2.97Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 3.34Å; L330-Q333 PolarHBondContact O-N 3.2Å; L330-Q334 WeakPolarHBondContact O-CB 3.21Å; L330-Q334 PolarHBondContact O-N 2.82Å |
| 331 | K | 94.6 | Very high | 85.7 | Confident | 144 Ų | 144 | 114.2 Ų | 114.2 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.2 | -34.8 | 171.9 | -76.2 | 171.2 | -175.1 | 176.6 | 0 | 112.4 | A327 L329 R335 | A327-K331 VanDerWaalsContact O-CB 3.3Å; A327-K331 WeakPolarHBondContact O-CB 3.32Å; A327-K331 VanDerWaalsContact O-CD 3.32Å; A327-K331 WeakPolarHBondContact O-CD 3.37Å; A327-K331 WeakPolarHBondContact O-CG 3.3Å; A327-K331 PolarHBondContact O-N 2.78Å; L329-K331 PolarHBondContact O-N 2.91Å; K331-R335 VanDerWaalsContact O-CG 3.31Å; K331-R335 WeakPolarHBondContact O-CG 3.41Å; K331-R335 PolarHBondContact O-N 3.05Å; K331-R335 VanDerWaalsContact O-N 3.14Å |
| 332 | R | 94.4 | Very high | 87.7 | Confident | 163 Ų | 163 | 111.2 Ų | 111.2 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.4 | -43.2 | 172.8 | -173.4 | -176.3 | 177.9 | -153.9 | -0.6 | 111.3 | K328 L329 L330 R335 M336 | K328-R332 WeakPolarHBondContact O-CB 3.48Å; K328-R332 PolarHBondContact O-N 2.89Å; L329-R332 CarbonylContact O-C 3.56Å; L329-R332 WeakPolarHBondContact O-CA 3.36Å; L329-R332 WeakPolarHBondContact O-CB 3.3Å; L329-R332 PolarHBondContact O-N 3.18Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 3.34Å; R332-R335 WeakPolarHBondContact O-CB 3.35Å; R332-R335 PolarHBondContact O-N 2.69Å; R332-M336 HydrophobicContact CG-CE 4.38Å; R332-M336 WeakPolarHBondContact O-CG 3.14Å; R332-M336 PolarHBondContact O-N 3.25Å |
| 333 | Q | 95.4 | Very high | 89.6 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 176.4 | -167.9 | 177.6 | 11.4 | 0 | 0 | 111.4 | L329 L330 R335 M336 I337 | L329-Q333 PolarHBondContact O-N 2.89Å; L330-Q333 PolarHBondContact O-N 3.2Å; Q333-R335 VanDerWaalsContact C-N 3.28Å; Q333-R335 PolarHBondContact O-N 3.06Å; Q333-M336 PolarHBondContact O-N 3.33Å; Q333-I337 HydrophobicContact CG-CD1 4.09Å; Q333-I337 WeakPolarHBondContact O-CG1 3.32Å; Q333-I337 PolarHBondContact O-N 3.21Å |
| 334 | Q | 96.1 | Very high | 91.5 | Very high | 112 Ų | 112 | 107.2 Ų | 107.2 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 175.4 | -168 | 63.7 | 41.9 | 0 | 0 | 112.4 | L330 K338 | L330-Q334 WeakPolarHBondContact O-CB 3.21Å; L330-Q334 PolarHBondContact O-N 2.82Å; Q334-K338 WeakPolarHBondContact O-CB 3.39Å; Q334-K338 PolarHBondContact O-N 2.92Å |
| 335 | R | 96.4 | Very high | 93.3 | Very high | 197 Ų | 197 | 107 Ų | 107 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -40.2 | 173 | -75.9 | 174.5 | 179.6 | -167.2 | -0.4 | 112.2 | K331 R332 Q333 N339 | K331-R335 VanDerWaalsContact O-CG 3.31Å; K331-R335 WeakPolarHBondContact O-CG 3.41Å; K331-R335 PolarHBondContact O-N 3.05Å; K331-R335 VanDerWaalsContact O-N 3.14Å; R332-R335 WeakPolarHBondContact O-CB 3.35Å; R332-R335 PolarHBondContact O-N 2.69Å; Q333-R335 VanDerWaalsContact C-N 3.28Å; Q333-R335 PolarHBondContact O-N 3.06Å; R335-N339 WeakPolarHBondContact O-CB 3.32Å; R335-N339 PolarHBondContact O-N 2.91Å |
| 336 | M | 96.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 176.6 | -67.8 | -175.1 | -59.1 | 0 | 0 | 112 | R332 Q333 R340 | R332-M336 HydrophobicContact CG-CE 4.38Å; R332-M336 WeakPolarHBondContact O-CG 3.14Å; R332-M336 PolarHBondContact O-N 3.25Å; Q333-M336 PolarHBondContact O-N 3.33Å; M336-R340 WeakPolarHBondContact O-CB 3.27Å; M336-R340 PolarHBondContact O-N 2.85Å |
| 337 | I | 95.7 | Very high | 95.4 | Very high | 68 Ų | 68 | 110.5 Ų | 110.5 | 35% | 0.349 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -56.3 | 174 | -67.7 | 166.5 | 0 | 0 | 0 | 110.1 | Q333 N339 R340 E341 | Q333-I337 HydrophobicContact CG-CD1 4.09Å; Q333-I337 WeakPolarHBondContact O-CG1 3.32Å; Q333-I337 PolarHBondContact O-N 3.21Å; I337-N339 VanDerWaalsContact C-N 3.26Å; I337-N339 PolarHBondContact O-N 3.09Å; I337-R340 WeakPolarHBondContact O-CB 3.24Å; I337-R340 PolarHBondContact O-N 3.47Å; I337-R340 VanDerWaalsContact O-N 3.07Å; I337-E341 HydrophobicContact CG2-CG 4.43Å; I337-E341 VanDerWaalsContact CG2-OE1 3.26Å; I337-E341 WeakPolarHBondContact CG2-OE1 3.36Å; I337-E341 WeakPolarHBondContact O-CG 3.39Å; I337-E341 PolarHBondContact O-N 3.25Å |
| 338 | K | 97.8 | Very high | 96.1 | Very high | 146 Ų | 146 | 116.6 Ų | 116.6 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.4 | -35.6 | 179.1 | -174 | 172.4 | -178.8 | 175.2 | 0 | 112.8 | Q334 S342 | Q334-K338 WeakPolarHBondContact O-CB 3.39Å; Q334-K338 PolarHBondContact O-N 2.92Å; K338-S342 WeakPolarHBondContact O-CB 3.23Å; K338-S342 PolarHBondContact O-N 3.38Å; K338-S342 PolarHBondContact O-OG 3.46Å |
| 339 | N | 97.5 | Very high | 96.5 | Very high | 110 Ų | 110 | 117.6 Ų | 117.6 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -47.5 | 174.4 | -177.2 | -101.7 | 0 | 0 | 0 | 111.6 | R335 I337 E341 S342 A343 | R335-N339 WeakPolarHBondContact O-CB 3.32Å; R335-N339 PolarHBondContact O-N 2.91Å; I337-N339 VanDerWaalsContact C-N 3.26Å; I337-N339 PolarHBondContact O-N 3.09Å; N339-E341 PolarHBondContact O-N 3.3Å; N339-S342 WeakPolarHBondContact CA-OG 3.4Å; N339-S342 PolarHBondContact O-N 3.28Å; N339-S342 PolarHBondContact O-OG 2.86Å; N339-A343 WeakPolarHBondContact O-CB 3.44Å; N339-A343 PolarHBondContact O-N 3.32Å |
| 340 | R | 97.9 | Very high | 96.8 | Very high | 157 Ų | 157 | 119.6 Ų | 119.6 | 59% | 0.592 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -57.2 | -46.9 | 175.4 | -176.3 | 176.3 | -178.2 | 148.2 | 2.4 | 111.8 | M336 I337 A343 C344 | M336-R340 WeakPolarHBondContact O-CB 3.27Å; M336-R340 PolarHBondContact O-N 2.85Å; I337-R340 WeakPolarHBondContact O-CB 3.24Å; I337-R340 PolarHBondContact O-N 3.47Å; I337-R340 VanDerWaalsContact O-N 3.07Å; R340-A343 PolarHBondContact O-N 3.25Å; R340-C344 PolarHBondContact O-N 2.86Å; R340-C344 PolarHBondContact O-SG 2.93Å; R340-C344 VanDerWaalsContact O-SG 3.36Å |
| 341 | E | 96.9 | Very high | 97 | Very high | 98 Ų | 98 | 119.4 Ų | 119.4 | 46% | 0.458 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 174 | -70.1 | 166 | 174.4 | 0 | 0 | 111.6 | I337 N339 A343 C344 Q345 | I337-E341 HydrophobicContact CG2-CG 4.43Å; I337-E341 VanDerWaalsContact CG2-OE1 3.26Å; I337-E341 WeakPolarHBondContact CG2-OE1 3.36Å; I337-E341 WeakPolarHBondContact O-CG 3.39Å; I337-E341 PolarHBondContact O-N 3.25Å; N339-E341 PolarHBondContact O-N 3.3Å; E341-A343 VanDerWaalsContact C-N 3.31Å; E341-A343 PolarHBondContact O-N 3.47Å; E341-C344 PolarHBondContact O-N 3.1Å; E341-Q345 WeakPolarHBondContact O-CB 3.33Å; E341-Q345 WeakPolarHBondContact O-CG 3.4Å; E341-Q345 PolarHBondContact O-N 3.43Å |
| 342 | S | 97.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 116.7 Ų | 116.7 | 39% | 0.392 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 179.9 | 71.6 | 0 | 0 | 0 | 0 | 113 | K338 N339 S346 | K338-S342 WeakPolarHBondContact O-CB 3.23Å; K338-S342 PolarHBondContact O-N 3.38Å; K338-S342 PolarHBondContact O-OG 3.46Å; N339-S342 WeakPolarHBondContact CA-OG 3.4Å; N339-S342 PolarHBondContact O-N 3.28Å; N339-S342 PolarHBondContact O-OG 2.86Å; S342-S346 VanDerWaalsContact O-CB 3.25Å; S342-S346 WeakPolarHBondContact O-CB 3.29Å; S342-S346 PolarHBondContact O-N 2.82Å |
| 343 | A | 97 | Very high | 97.4 | Very high | 39 Ų | 39 | 116.2 Ų | 116.2 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N339 R340 E341 S346 R347 | N339-A343 WeakPolarHBondContact O-CB 3.44Å; N339-A343 PolarHBondContact O-N 3.32Å; R340-A343 PolarHBondContact O-N 3.25Å; E341-A343 VanDerWaalsContact C-N 3.31Å; E341-A343 PolarHBondContact O-N 3.47Å; A343-S346 PolarHBondContact O-N 2.89Å; A343-R347 VanDerWaalsContact O-CG 3.3Å; A343-R347 WeakPolarHBondContact O-CG 3.17Å; A343-R347 PolarHBondContact O-N 2.79Å |
| 344 | C | 97.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 115 Ų | 115 | 48% | 0.48 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 173.5 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | R340 E341 S346 R347 R348 | R340-C344 PolarHBondContact O-N 2.86Å; R340-C344 PolarHBondContact O-SG 2.93Å; R340-C344 VanDerWaalsContact O-SG 3.36Å; E341-C344 PolarHBondContact O-N 3.1Å; C344-S346 VanDerWaalsContact C-N 3.35Å; C344-S346 PolarHBondContact O-N 2.86Å; C344-R347 PolarHBondContact O-N 3.45Å; C344-R348 WeakPolarHBondContact O-CB 3.25Å; C344-R348 PolarHBondContact O-N 2.99Å |
| 345 | Q | 97.5 | Very high | 97.6 | Very high | 117 Ų | 117 | 115.1 Ų | 115.1 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 175.3 | -71.1 | 180 | 15.6 | 0 | 0 | 112.4 | E341 R348 K349 | E341-Q345 WeakPolarHBondContact O-CB 3.33Å; E341-Q345 WeakPolarHBondContact O-CG 3.4Å; E341-Q345 PolarHBondContact O-N 3.43Å; Q345-R348 PolarHBondContact O-N 2.84Å; Q345-K349 WeakPolarHBondContact O-CB 3.42Å; Q345-K349 WeakPolarHBondContact O-CG 3.48Å; Q345-K349 PolarHBondContact O-N 3.14Å |
| 346 | S | 97.9 | Very high | 97.7 | Very high | 78 Ų | 78 | 107.2 Ų | 107.2 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | S342 A343 C344 R348 K349 K350 | S342-S346 VanDerWaalsContact O-CB 3.25Å; S342-S346 WeakPolarHBondContact O-CB 3.29Å; S342-S346 PolarHBondContact O-N 2.82Å; A343-S346 PolarHBondContact O-N 2.89Å; C344-S346 VanDerWaalsContact C-N 3.35Å; C344-S346 PolarHBondContact O-N 2.86Å; S346-R348 PolarHBondContact O-N 2.91Å; S346-K349 PolarHBondContact O-N 2.82Å; S346-K350 PolarHBondContact O-N 3.46Å |
| 347 | R | 98.1 | Very high | 97.8 | Very high | 195 Ų | 195 | 105.8 Ų | 105.8 | 74% | 0.736 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 174.6 | -71 | 171.6 | -176.1 | -162.3 | 0.6 | 111.8 | A343 C344 K350 K351 | A343-R347 VanDerWaalsContact O-CG 3.3Å; A343-R347 WeakPolarHBondContact O-CG 3.17Å; A343-R347 PolarHBondContact O-N 2.79Å; C344-R347 PolarHBondContact O-N 3.45Å; R347-K350 PolarHBondContact O-N 3.43Å; R347-K351 PolarHBondContact O-N 2.95Å |
| 348 | R | 98.1 | Very high | 97.9 | Very high | 167 Ų | 167 | 107.7 Ų | 107.7 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -51.7 | 177.2 | 178.9 | 171.5 | 172 | 151.6 | 8.3 | 111.8 | C344 Q345 S346 K350 K351 E352 | C344-R348 WeakPolarHBondContact O-CB 3.25Å; C344-R348 PolarHBondContact O-N 2.99Å; Q345-R348 PolarHBondContact O-N 2.84Å; S346-R348 PolarHBondContact O-N 2.91Å; R348-K350 PolarHBondContact O-N 3.43Å; R348-K351 WeakPolarHBondContact O-CB 3.2Å; R348-K351 PolarHBondContact O-N 3.3Å; R348-E352 HydrophobicContact CG-CG 4.41Å; R348-E352 WeakPolarHBondContact CG-OE1 3.16Å; R348-E352 IonicContact CZ-OE1 3.8Å; R348-E352 IonicContact NE-OE1 3.05Å; R348-E352 PolarHBondContact NE-OE1 2.86Å; R348-E352 IonicContact NH2-OE1 2.62Å; R348-E352 PolarHBondContact NH2-OE1 3.21Å; R348-E352 WeakPolarHBondContact O-CG 3.21Å; R348-E352 PolarHBondContact O-N 3.5Å |
| 349 | K | 98.4 | Very high | 98 | Very high | 141 Ų | 141 | 103.3 Ų | 103.3 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.8 | -35.2 | 175.9 | -73.5 | -179.7 | 177.8 | -175.3 | 0 | 112.5 | Q345 S346 Y353 | Q345-K349 WeakPolarHBondContact O-CB 3.42Å; Q345-K349 WeakPolarHBondContact O-CG 3.48Å; Q345-K349 PolarHBondContact O-N 3.14Å; S346-K349 PolarHBondContact O-N 2.82Å; K349-Y353 VanDerWaalsContact O-CB 3.27Å; K349-Y353 WeakPolarHBondContact O-CB 3.31Å; K349-Y353 PolarHBondContact O-N 3.06Å |
| 350 | K | 98.2 | Very high | 98 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -40.7 | 173.3 | -171.2 | 176.6 | 178.2 | -177 | 0 | 112.2 | S346 R347 R348 Y353 L354 | S346-K350 PolarHBondContact O-N 3.46Å; R347-K350 PolarHBondContact O-N 3.43Å; R348-K350 PolarHBondContact O-N 3.43Å; K350-Y353 PolarHBondContact O-N 3.14Å; K350-L354 HydrophobicContact CG-CD1 4.11Å; K350-L354 HydrophobicContact CG-CG 4.43Å; K350-L354 WeakPolarHBondContact O-CB 3.45Å; K350-L354 VanDerWaalsContact O-CG 3.32Å; K350-L354 WeakPolarHBondContact O-CG 3.44Å; K350-L354 PolarHBondContact O-N 2.85Å |
| 351 | K | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 104.4 Ų | 104.4 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 173.6 | -176.4 | 174.2 | 179.2 | 174.3 | 0 | 110.9 | R347 R348 Y353 L354 Q355 | R347-K351 PolarHBondContact O-N 2.95Å; R348-K351 WeakPolarHBondContact O-CB 3.2Å; R348-K351 PolarHBondContact O-N 3.3Å; K351-Y353 VanDerWaalsContact C-N 3.31Å; K351-Y353 PolarHBondContact O-N 3.01Å; K351-L354 PolarHBondContact O-N 3.34Å; K351-Q355 VanDerWaalsContact O-CB 3.3Å; K351-Q355 WeakPolarHBondContact O-CB 3.39Å; K351-Q355 PolarHBondContact O-N 3.03Å |
| 352 | E | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 106.3 Ų | 106.3 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 178.6 | -69 | 164.8 | 163.6 | 0 | 0 | 111.8 | R348 G356 | R348-E352 HydrophobicContact CG-CG 4.41Å; R348-E352 WeakPolarHBondContact CG-OE1 3.16Å; R348-E352 IonicContact CZ-OE1 3.8Å; R348-E352 IonicContact NE-OE1 3.05Å; R348-E352 PolarHBondContact NE-OE1 2.86Å; R348-E352 IonicContact NH2-OE1 2.62Å; R348-E352 PolarHBondContact NH2-OE1 3.21Å; R348-E352 WeakPolarHBondContact O-CG 3.21Å; R348-E352 PolarHBondContact O-N 3.5Å; E352-G356 PolarHBondContact O-N 3.23Å |
| 353 | Y | 98.3 | Very high | 98.1 | Very high | 153 Ų | 153 | 106 Ų | 106 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -44.3 | 174.6 | 176.9 | -104.6 | 0 | 0 | 0 | 113.4 | K349 K350 K351 G356 L357 | K349-Y353 VanDerWaalsContact O-CB 3.27Å; K349-Y353 WeakPolarHBondContact O-CB 3.31Å; K349-Y353 PolarHBondContact O-N 3.06Å; K350-Y353 PolarHBondContact O-N 3.14Å; K351-Y353 VanDerWaalsContact C-N 3.31Å; K351-Y353 PolarHBondContact O-N 3.01Å; Y353-G356 PolarHBondContact O-N 3.46Å; Y353-L357 HydrophobicContact CD1-CD1 4.14Å; Y353-L357 HydrophobicContact CE1-CD1 3.51Å; Y353-L357 HydrophobicContact CE1-CG 4.2Å; Y353-L357 HydrophobicContact CE2-CG 4.45Å; Y353-L357 PolarHBondContact O-N 3.47Å |
| 354 | L | 98.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 108.5 Ų | 108.5 | 38% | 0.382 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 177.3 | -72.9 | 171.6 | 0 | 0 | 0 | 111.3 | K350 K351 G356 L357 E358 | K350-L354 HydrophobicContact CG-CD1 4.11Å; K350-L354 HydrophobicContact CG-CG 4.43Å; K350-L354 WeakPolarHBondContact O-CB 3.45Å; K350-L354 VanDerWaalsContact O-CG 3.32Å; K350-L354 WeakPolarHBondContact O-CG 3.44Å; K350-L354 PolarHBondContact O-N 2.85Å; K351-L354 PolarHBondContact O-N 3.34Å; L354-G356 PolarHBondContact O-N 2.89Å; L354-L357 CarbonylContact O-C 3.55Å; L354-L357 WeakPolarHBondContact O-CA 3.47Å; L354-L357 WeakPolarHBondContact O-CB 3.22Å; L354-L357 PolarHBondContact O-N 2.92Å; L354-E358 WeakPolarHBondContact O-CG 3.32Å; L354-E358 PolarHBondContact O-N 3.4Å |
| 355 | Q | 98.2 | Very high | 98.2 | Very high | 116 Ų | 116 | 110.1 Ų | 110.1 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.5 | -36.7 | 173.5 | -170.7 | 176.8 | 7.4 | 0 | 0 | 111.9 | K351 E358 A359 | K351-Q355 VanDerWaalsContact O-CB 3.3Å; K351-Q355 WeakPolarHBondContact O-CB 3.39Å; K351-Q355 PolarHBondContact O-N 3.03Å; Q355-E358 PolarHBondContact O-N 3.19Å; Q355-A359 WeakPolarHBondContact O-CB 3.39Å; Q355-A359 PolarHBondContact O-N 2.85Å |
| 356 | G | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 107 Ų | 107 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -29.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E352 Y353 L354 R360 | E352-G356 PolarHBondContact O-N 3.23Å; Y353-G356 PolarHBondContact O-N 3.46Å; L354-G356 PolarHBondContact O-N 2.89Å; G356-R360 WeakPolarHBondContact O-CD 3.45Å; G356-R360 WeakPolarHBondContact O-CG 3.46Å; G356-R360 PolarHBondContact O-N 3.29Å |
| 357 | L | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 108 Ų | 108 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76 | -41.4 | 170.9 | -71.1 | 177.2 | 0 | 0 | 0 | 111.7 | Y353 L354 R360 L361 | Y353-L357 HydrophobicContact CD1-CD1 4.14Å; Y353-L357 HydrophobicContact CE1-CD1 3.51Å; Y353-L357 HydrophobicContact CE1-CG 4.2Å; Y353-L357 HydrophobicContact CE2-CG 4.45Å; Y353-L357 PolarHBondContact O-N 3.47Å; L354-L357 CarbonylContact O-C 3.55Å; L354-L357 WeakPolarHBondContact O-CA 3.47Å; L354-L357 WeakPolarHBondContact O-CB 3.22Å; L354-L357 PolarHBondContact O-N 2.92Å; L357-R360 PolarHBondContact O-N 3.22Å; L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 3.46Å |
| 358 | E | 98.1 | Very high | 98.2 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 176.7 | -71.5 | 154 | -160.9 | 0 | 0 | 111 | L354 Q355 R360 L361 Q362 | L354-E358 WeakPolarHBondContact O-CG 3.32Å; L354-E358 PolarHBondContact O-N 3.4Å; Q355-E358 PolarHBondContact O-N 3.19Å; E358-R360 VanDerWaalsContact C-N 3.35Å; E358-R360 PolarHBondContact O-N 3.42Å; E358-L361 WeakPolarHBondContact O-CB 3.4Å; E358-L361 PolarHBondContact O-N 3.41Å; E358-Q362 WeakPolarHBondContact O-CG 3.37Å; E358-Q362 PolarHBondContact O-N 3.38Å |
| 359 | A | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q355 Q362 A363 | Q355-A359 WeakPolarHBondContact O-CB 3.39Å; Q355-A359 PolarHBondContact O-N 2.85Å; A359-Q362 PolarHBondContact O-N 2.91Å; A359-A363 WeakPolarHBondContact O-CB 3.35Å; A359-A363 PolarHBondContact O-N 2.85Å |
| 360 | R | 98.1 | Very high | 98.2 | Very high | 184 Ų | 184 | 96.2 Ų | 96.2 | 69% | 0.694 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -39.1 | 174.2 | -75.6 | 171.2 | -177.8 | -147.7 | -0.9 | 112.2 | G356 L357 E358 A363 V364 | G356-R360 WeakPolarHBondContact O-CD 3.45Å; G356-R360 WeakPolarHBondContact O-CG 3.46Å; G356-R360 PolarHBondContact O-N 3.29Å; L357-R360 PolarHBondContact O-N 3.22Å; E358-R360 VanDerWaalsContact C-N 3.35Å; E358-R360 PolarHBondContact O-N 3.42Å; R360-A363 PolarHBondContact O-N 3.44Å; R360-V364 WeakPolarHBondContact O-CB 3.46Å; R360-V364 WeakPolarHBondContact O-CG2 3.46Å; R360-V364 PolarHBondContact O-N 3.24Å |
| 361 | L | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 94 Ų | 94 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 175.5 | 178.2 | 60.8 | 0 | 0 | 0 | 110.9 | L357 E358 V364 L365 | L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 3.46Å; E358-L361 WeakPolarHBondContact O-CB 3.4Å; E358-L361 PolarHBondContact O-N 3.41Å; L361-V364 PolarHBondContact O-N 2.98Å; L361-L365 HydrophobicContact CD1-CD1 4.12Å; L361-L365 HydrophobicContact CD1-CG 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.99Å; L361-L365 WeakPolarHBondContact O-CB 3.24Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.35Å; L361-L365 PolarHBondContact O-N 3.35Å |
| 362 | Q | 98.3 | Very high | 98.2 | Very high | 139 Ų | 139 | 97.1 Ų | 97.1 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 175.2 | -73.6 | 177 | -9.7 | 0 | 0 | 112.2 | E358 A359 L365 A366 | E358-Q362 WeakPolarHBondContact O-CG 3.37Å; E358-Q362 PolarHBondContact O-N 3.38Å; A359-Q362 PolarHBondContact O-N 2.91Å; Q362-L365 PolarHBondContact O-N 3.32Å; Q362-A366 PolarHBondContact O-N 2.77Å |
| 363 | A | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 98.9 Ų | 98.9 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -51.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A359 R360 L365 A366 D367 | A359-A363 WeakPolarHBondContact O-CB 3.35Å; A359-A363 PolarHBondContact O-N 2.85Å; R360-A363 PolarHBondContact O-N 3.44Å; A363-L365 VanDerWaalsContact C-N 3.26Å; A363-L365 PolarHBondContact O-N 2.87Å; A363-A366 WeakPolarHBondContact O-CB 3.25Å; A363-A366 PolarHBondContact O-N 2.83Å; A363-A366 VanDerWaalsContact O-N 3.1Å; A363-D367 VanDerWaalsContact O-CG 3.32Å; A363-D367 PolarHBondContact O-N 2.8Å |
| 364 | V | 98.1 | Very high | 98.2 | Very high | 90 Ų | 90 | 95.6 Ų | 95.6 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | R360 L361 N368 | R360-V364 WeakPolarHBondContact O-CB 3.46Å; R360-V364 WeakPolarHBondContact O-CG2 3.46Å; R360-V364 PolarHBondContact O-N 3.24Å; L361-V364 PolarHBondContact O-N 2.98Å; V364-N368 VanDerWaalsContact O-CB 3.29Å; V364-N368 WeakPolarHBondContact O-CB 3.38Å; V364-N368 PolarHBondContact O-N 2.86Å |
| 365 | L | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 173.6 | -73.7 | 170.2 | 0 | 0 | 0 | 112.1 | L361 Q362 A363 N368 Q369 | L361-L365 HydrophobicContact CD1-CD1 4.12Å; L361-L365 HydrophobicContact CD1-CG 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.99Å; L361-L365 WeakPolarHBondContact O-CB 3.24Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.35Å; L361-L365 PolarHBondContact O-N 3.35Å; Q362-L365 PolarHBondContact O-N 3.32Å; A363-L365 VanDerWaalsContact C-N 3.26Å; A363-L365 PolarHBondContact O-N 2.87Å; L365-N368 PolarHBondContact O-N 2.84Å; L365-Q369 WeakPolarHBondContact O-CB 3.5Å; L365-Q369 PolarHBondContact O-N 2.97Å |
| 366 | A | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q362 A363 N368 Q369 Q370 | Q362-A366 PolarHBondContact O-N 2.77Å; A363-A366 WeakPolarHBondContact O-CB 3.25Å; A363-A366 PolarHBondContact O-N 2.83Å; A363-A366 VanDerWaalsContact O-N 3.1Å; A366-N368 VanDerWaalsContact C-N 3.34Å; A366-N368 PolarHBondContact O-N 2.9Å; A366-Q369 WeakPolarHBondContact O-CB 3.46Å; A366-Q369 PolarHBondContact O-N 2.76Å; A366-Q370 WeakPolarHBondContact O-CB 3.3Å; A366-Q370 PolarHBondContact O-N 2.81Å |
| 367 | D | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 92.3 Ų | 92.3 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 173.8 | -66.9 | -24.8 | 0 | 0 | 0 | 111.2 | A363 Q369 Q370 L371 | A363-D367 VanDerWaalsContact O-CG 3.32Å; A363-D367 PolarHBondContact O-N 2.8Å; D367-Q369 VanDerWaalsContact C-N 3.34Å; D367-Q369 PolarHBondContact O-N 3.27Å; D367-Q370 PolarHBondContact O-N 3.07Å; D367-L371 WeakPolarHBondContact O-CB 3.25Å; D367-L371 WeakPolarHBondContact O-CG 3.26Å; D367-L371 PolarHBondContact O-N 2.94Å |
| 368 | N | 98 | Very high | 98.1 | Very high | 67 Ų | 67 | 93.1 Ų | 93.1 | 36% | 0.358 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.4 | -157.5 | -97.6 | 0 | 0 | 0 | 112 | V364 L365 A366 R372 | V364-N368 VanDerWaalsContact O-CB 3.29Å; V364-N368 WeakPolarHBondContact O-CB 3.38Å; V364-N368 PolarHBondContact O-N 2.86Å; L365-N368 PolarHBondContact O-N 2.84Å; A366-N368 VanDerWaalsContact C-N 3.34Å; A366-N368 PolarHBondContact O-N 2.9Å; N368-R372 WeakPolarHBondContact O-CG 3.4Å; N368-R372 PolarHBondContact O-N 3.25Å; N368-R372 PolarHBondContact OD1-NE 2.85Å; N368-R372 PolarHBondContact OD1-NH2 2.86Å |
| 369 | Q | 98.2 | Very high | 98.1 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 173.6 | -162.9 | -169.6 | 43.7 | 0 | 0 | 111.1 | L365 A366 D367 R372 R373 | L365-Q369 WeakPolarHBondContact O-CB 3.5Å; L365-Q369 PolarHBondContact O-N 2.97Å; A366-Q369 WeakPolarHBondContact O-CB 3.46Å; A366-Q369 PolarHBondContact O-N 2.76Å; D367-Q369 VanDerWaalsContact C-N 3.34Å; D367-Q369 PolarHBondContact O-N 3.27Å; Q369-R372 WeakPolarHBondContact O-CB 3.35Å; Q369-R372 PolarHBondContact O-N 2.91Å; Q369-R373 WeakPolarHBondContact O-CG 3.49Å; Q369-R373 PolarHBondContact O-N 3.36Å |
| 370 | Q | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 176.9 | -178.9 | 58.3 | 15.1 | 0 | 0 | 112 | A366 D367 R372 R373 E374 | A366-Q370 WeakPolarHBondContact O-CB 3.3Å; A366-Q370 PolarHBondContact O-N 2.81Å; D367-Q370 PolarHBondContact O-N 3.07Å; Q370-R372 PolarHBondContact O-N 2.69Å; Q370-R373 WeakPolarHBondContact O-CA 3.44Å; Q370-R373 WeakPolarHBondContact O-CB 3.49Å; Q370-R373 PolarHBondContact O-N 3.08Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.23Å; Q370-E374 PolarHBondContact NE2-OE1 3.22Å; Q370-E374 PolarHBondContact O-N 2.7Å |
| 371 | L | 97.9 | Very high | 98 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -30.6 | 174.6 | -70.6 | 170 | 0 | 0 | 0 | 112.3 | D367 N375 | D367-L371 WeakPolarHBondContact O-CB 3.25Å; D367-L371 WeakPolarHBondContact O-CG 3.26Å; D367-L371 PolarHBondContact O-N 2.94Å; L371-N375 VanDerWaalsContact O-CB 3.3Å; L371-N375 WeakPolarHBondContact O-CB 3.41Å; L371-N375 PolarHBondContact O-N 3.04Å; L371-N375 PolarHBondContact O-ND2 3.17Å |
| 372 | R | 97.8 | Very high | 98 | Very high | 172 Ų | 172 | 99.7 Ų | 99.7 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.2 | -42 | 171 | -72.9 | 169.7 | -163.7 | -159.5 | 4.8 | 112.5 | N368 Q369 Q370 E374 N375 A376 | N368-R372 WeakPolarHBondContact O-CG 3.4Å; N368-R372 PolarHBondContact O-N 3.25Å; N368-R372 PolarHBondContact OD1-NE 2.85Å; N368-R372 PolarHBondContact OD1-NH2 2.86Å; Q369-R372 WeakPolarHBondContact O-CB 3.35Å; Q369-R372 PolarHBondContact O-N 2.91Å; Q370-R372 PolarHBondContact O-N 2.69Å; R372-E374 VanDerWaalsContact C-N 3.33Å; R372-N375 PolarHBondContact O-N 2.88Å; R372-A376 WeakPolarHBondContact O-CB 3.41Å; R372-A376 PolarHBondContact O-N 3.46Å |
| 373 | R | 98.3 | Very high | 97.9 | Very high | 124 Ų | 124 | 98.6 Ų | 98.6 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 173.6 | -65.3 | -178.9 | -170 | 102 | 4 | 111 | Q369 Q370 A376 A377 | Q369-R373 WeakPolarHBondContact O-CG 3.49Å; Q369-R373 PolarHBondContact O-N 3.36Å; Q370-R373 WeakPolarHBondContact O-CA 3.44Å; Q370-R373 WeakPolarHBondContact O-CB 3.49Å; Q370-R373 PolarHBondContact O-N 3.08Å; R373-A376 PolarHBondContact O-N 3.39Å; R373-A377 PolarHBondContact O-N 3.18Å |
| 374 | E | 98.1 | Very high | 97.8 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 179.6 | -71.5 | 171.6 | -167 | 0 | 0 | 111.8 | Q370 R372 A376 A377 L378 | Q370-E374 WeakPolarHBondContact CG-OE1 3.23Å; Q370-E374 PolarHBondContact NE2-OE1 3.22Å; Q370-E374 PolarHBondContact O-N 2.7Å; R372-E374 VanDerWaalsContact C-N 3.33Å; E374-A376 VanDerWaalsContact C-N 3.29Å; E374-A376 PolarHBondContact O-N 3.03Å; E374-A377 PolarHBondContact O-N 3.27Å; E374-A377 VanDerWaalsContact O-N 3.15Å; E374-L378 WeakPolarHBondContact O-CB 3.46Å; E374-L378 WeakPolarHBondContact O-CG 3.46Å; E374-L378 PolarHBondContact O-N 2.88Å |
| 375 | N | 98.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 99.7 Ų | 99.7 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 172.5 | -91 | -91.5 | 0 | 0 | 0 | 112.2 | L371 R372 R379 | L371-N375 VanDerWaalsContact O-CB 3.3Å; L371-N375 WeakPolarHBondContact O-CB 3.41Å; L371-N375 PolarHBondContact O-N 3.04Å; L371-N375 PolarHBondContact O-ND2 3.17Å; R372-N375 PolarHBondContact O-N 2.88Å; N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.23Å; N375-R379 WeakPolarHBondContact O-CG 3.49Å; N375-R379 PolarHBondContact O-N 3.43Å |
| 376 | A | 97.9 | Very high | 97.5 | Very high | 34 Ų | 34 | 100.3 Ų | 100.3 | 28% | 0.281 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R372 R373 E374 R379 R380 | R372-A376 WeakPolarHBondContact O-CB 3.41Å; R372-A376 PolarHBondContact O-N 3.46Å; R373-A376 PolarHBondContact O-N 3.39Å; E374-A376 VanDerWaalsContact C-N 3.29Å; E374-A376 PolarHBondContact O-N 3.03Å; A376-R379 PolarHBondContact O-N 3.48Å; A376-R380 WeakPolarHBondContact O-CG 3.37Å; A376-R380 PolarHBondContact O-N 3.21Å; A376-R380 VanDerWaalsContact O-N 3.07Å |
| 377 | A | 98.2 | Very high | 97.2 | Very high | 35 Ų | 35 | 101.6 Ų | 101.6 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R373 E374 R380 R381 | R373-A377 PolarHBondContact O-N 3.18Å; E374-A377 PolarHBondContact O-N 3.27Å; E374-A377 VanDerWaalsContact O-N 3.15Å; A377-R380 PolarHBondContact O-N 3.19Å; A377-R381 WeakPolarHBondContact O-CG 3.37Å; A377-R381 PolarHBondContact O-N 2.92Å |
| 378 | L | 97.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.5 | -70.1 | 172.1 | 0 | 0 | 0 | 111.9 | E374 R381 L382 | E374-L378 WeakPolarHBondContact O-CB 3.46Å; E374-L378 WeakPolarHBondContact O-CG 3.46Å; E374-L378 PolarHBondContact O-N 2.88Å; L378-R381 PolarHBondContact O-N 3.4Å; L378-L382 WeakPolarHBondContact O-CG 3.25Å; L378-L382 PolarHBondContact O-N 2.73Å |
| 379 | R | 97.3 | Very high | 96.4 | Very high | 158 Ų | 158 | 101.3 Ų | 101.3 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.3 | -47.3 | 173.9 | -75.2 | 171.2 | -171.3 | -164.6 | 1.9 | 112.1 | N375 A376 R381 L382 E383 | N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.23Å; N375-R379 WeakPolarHBondContact O-CG 3.49Å; N375-R379 PolarHBondContact O-N 3.43Å; A376-R379 PolarHBondContact O-N 3.48Å; R379-R381 VanDerWaalsContact C-N 3.33Å; R379-R381 PolarHBondContact O-N 3.08Å; R379-L382 WeakPolarHBondContact O-CB 3.19Å; R379-L382 PolarHBondContact O-N 3.29Å; R379-L382 VanDerWaalsContact O-N 3.13Å; R379-E383 WeakPolarHBondContact O-CG 3.38Å; R379-E383 PolarHBondContact O-N 3.4Å |
| 380 | R | 97.8 | Very high | 95.8 | Very high | 155 Ų | 155 | 98.8 Ų | 98.8 | 59% | 0.585 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57.7 | -44.1 | 174.1 | -67.3 | -179 | -151.8 | 119.1 | -1.6 | 112.1 | A376 A377 L382 E383 T384 | A376-R380 WeakPolarHBondContact O-CG 3.37Å; A376-R380 PolarHBondContact O-N 3.21Å; A376-R380 VanDerWaalsContact O-N 3.07Å; A377-R380 PolarHBondContact O-N 3.19Å; R380-L382 PolarHBondContact O-N 2.89Å; R380-E383 WeakPolarHBondContact O-CB 3.36Å; R380-E383 PolarHBondContact O-N 2.88Å; R380-T384 PolarHBondContact O-N 3.35Å; R380-T384 PolarHBondContact O-OG1 2.93Å |
| 381 | R | 97.4 | Very high | 95.1 | Very high | 170 Ų | 170 | 102 Ų | 102 | 64% | 0.642 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 175.8 | -73.2 | 175.6 | -179.2 | 178.7 | 0.9 | 112.2 | A377 L378 R379 T384 L385 | A377-R381 WeakPolarHBondContact O-CG 3.37Å; A377-R381 PolarHBondContact O-N 2.92Å; L378-R381 PolarHBondContact O-N 3.4Å; R379-R381 VanDerWaalsContact C-N 3.33Å; R379-R381 PolarHBondContact O-N 3.08Å; R381-T384 PolarHBondContact O-N 2.84Å; R381-L385 WeakPolarHBondContact O-CB 3.15Å; R381-L385 VanDerWaalsContact O-CG 3.27Å; R381-L385 WeakPolarHBondContact O-CG 3.4Å; R381-L385 PolarHBondContact O-N 3.3Å |
| 382 | L | 96.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 103.1 Ų | 103.1 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.8 | -72.8 | 169.3 | 0 | 0 | 0 | 111.6 | L378 R379 R380 L385 L386 | L378-L382 WeakPolarHBondContact O-CG 3.25Å; L378-L382 PolarHBondContact O-N 2.73Å; R379-L382 WeakPolarHBondContact O-CB 3.19Å; R379-L382 PolarHBondContact O-N 3.29Å; R379-L382 VanDerWaalsContact O-N 3.13Å; R380-L382 PolarHBondContact O-N 2.89Å; L382-L385 PolarHBondContact O-N 2.97Å; L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.44Å; L382-L386 WeakPolarHBondContact O-CD1 3.43Å; L382-L386 WeakPolarHBondContact O-CG 3.4Å; L382-L386 PolarHBondContact O-N 3.48Å |
| 383 | E | 96.8 | Very high | 92.8 | Very high | 116 Ų | 116 | 101.4 Ų | 101.4 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.7 | -72.4 | 157.7 | -172.8 | 0 | 0 | 111 | R379 R380 L386 T387 | R379-E383 WeakPolarHBondContact O-CG 3.38Å; R379-E383 PolarHBondContact O-N 3.4Å; R380-E383 WeakPolarHBondContact O-CB 3.36Å; R380-E383 PolarHBondContact O-N 2.88Å; E383-L386 PolarHBondContact O-N 3.4Å; E383-T387 PolarHBondContact O-N 2.98Å; E383-T387 PolarHBondContact O-OG1 2.89Å |
| 384 | T | 96 | Very high | 91 | Very high | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.2 | -51.3 | 175 | -51.6 | 0 | 0 | 0 | 0 | 112 | R380 R381 L386 T387 E388 | R380-T384 PolarHBondContact O-N 3.35Å; R380-T384 PolarHBondContact O-OG1 2.93Å; R381-T384 PolarHBondContact O-N 2.84Å; T384-L386 VanDerWaalsContact C-N 3.25Å; T384-L386 PolarHBondContact O-N 2.62Å; T384-T387 WeakPolarHBondContact CA-OG1 3.45Å; T384-T387 PolarHBondContact O-N 2.9Å; T384-T387 VanDerWaalsContact O-N 3.12Å; T384-T387 PolarHBondContact O-OG1 3.41Å; T384-E388 WeakPolarHBondContact O-CG 3.27Å; T384-E388 PolarHBondContact O-N 3.16Å |
| 385 | L | 95 | Very high | 89.1 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -29.2 | 179.3 | -71.3 | 170.2 | 0 | 0 | 0 | 112.8 | R381 L382 N389 | R381-L385 WeakPolarHBondContact O-CB 3.15Å; R381-L385 VanDerWaalsContact O-CG 3.27Å; R381-L385 WeakPolarHBondContact O-CG 3.4Å; R381-L385 PolarHBondContact O-N 3.3Å; L382-L385 PolarHBondContact O-N 2.97Å; L385-N389 VanDerWaalsContact O-CB 3.23Å; L385-N389 WeakPolarHBondContact O-CB 3.35Å; L385-N389 PolarHBondContact O-N 3.45Å; L385-N389 PolarHBondContact O-ND2 3Å |
| 386 | L | 94.6 | Very high | 87.3 | Confident | 117 Ų | 117 | 96.5 Ų | 96.5 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73.9 | -39.6 | 173 | -75.9 | 169.5 | 0 | 0 | 0 | 111.8 | L382 E383 T384 N389 S390 | L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.44Å; L382-L386 WeakPolarHBondContact O-CD1 3.43Å; L382-L386 WeakPolarHBondContact O-CG 3.4Å; L382-L386 PolarHBondContact O-N 3.48Å; E383-L386 PolarHBondContact O-N 3.4Å; T384-L386 VanDerWaalsContact C-N 3.25Å; T384-L386 PolarHBondContact O-N 2.62Å; L386-N389 PolarHBondContact O-N 3.11Å; L386-S390 WeakPolarHBondContact O-CB 3.42Å; L386-S390 PolarHBondContact O-N 2.93Å |
| 387 | T | 92.6 | Very high | 85.7 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 172.7 | 46 | 0 | 0 | 0 | 0 | 111.3 | E383 T384 N389 S390 E391 | E383-T387 PolarHBondContact O-N 2.98Å; E383-T387 PolarHBondContact O-OG1 2.89Å; T384-T387 WeakPolarHBondContact CA-OG1 3.45Å; T384-T387 PolarHBondContact O-N 2.9Å; T384-T387 VanDerWaalsContact O-N 3.12Å; T384-T387 PolarHBondContact O-OG1 3.41Å; T387-N389 VanDerWaalsContact C-N 3.32Å; T387-N389 PolarHBondContact O-N 2.93Å; T387-S390 WeakPolarHBondContact O-CA 3.23Å; T387-S390 WeakPolarHBondContact O-CB 3.49Å; T387-S390 PolarHBondContact O-N 3.27Å; T387-S390 PolarHBondContact O-OG 3.24Å; T387-E391 PolarHBondContact O-N 3.2Å |
| 388 | E | 92.6 | Very high | 84.2 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 174 | -70 | 172.2 | -170.9 | 0 | 0 | 111.7 | T384 S390 E391 L392 | T384-E388 WeakPolarHBondContact O-CG 3.27Å; T384-E388 PolarHBondContact O-N 3.16Å; E388-S390 VanDerWaalsContact C-N 3.3Å; E388-S390 PolarHBondContact O-N 3.18Å; E388-E391 PolarHBondContact O-N 2.88Å; E388-L392 WeakPolarHBondContact O-CB 3.48Å; E388-L392 VanDerWaalsContact O-CG 3.25Å; E388-L392 WeakPolarHBondContact O-CG 3.48Å; E388-L392 PolarHBondContact O-N 2.89Å |
| 389 | N | 87.4 | Confident | 83 | Confident | 68 Ų | 68 | 105 Ų | 105 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 174.5 | -99.7 | -97.5 | 0 | 0 | 0 | 112.7 | L385 L386 T387 K393 | L385-N389 VanDerWaalsContact O-CB 3.23Å; L385-N389 WeakPolarHBondContact O-CB 3.35Å; L385-N389 PolarHBondContact O-N 3.45Å; L385-N389 PolarHBondContact O-ND2 3Å; L386-N389 PolarHBondContact O-N 3.11Å; T387-N389 VanDerWaalsContact C-N 3.32Å; T387-N389 PolarHBondContact O-N 2.93Å; N389-K393 VanDerWaalsContact O-CB 3.25Å; N389-K393 WeakPolarHBondContact O-CB 3.45Å; N389-K393 VanDerWaalsContact O-CD 3.29Å; N389-K393 WeakPolarHBondContact O-CD 3.27Å; N389-K393 WeakPolarHBondContact O-CG 3.27Å; N389-K393 PolarHBondContact O-N 3.25Å; N389-K393 PolarHBondContact OD1-NZ 3Å |
| 390 | S | 84.8 | Confident | 81.9 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -43.4 | 178.8 | 79.4 | 0 | 0 | 0 | 0 | 111.3 | L386 T387 E388 K393 L394 | L386-S390 WeakPolarHBondContact O-CB 3.42Å; L386-S390 PolarHBondContact O-N 2.93Å; T387-S390 WeakPolarHBondContact O-CA 3.23Å; T387-S390 WeakPolarHBondContact O-CB 3.49Å; T387-S390 PolarHBondContact O-N 3.27Å; T387-S390 PolarHBondContact O-OG 3.24Å; E388-S390 VanDerWaalsContact C-N 3.3Å; E388-S390 PolarHBondContact O-N 3.18Å; S390-K393 PolarHBondContact O-N 2.85Å; S390-L394 WeakPolarHBondContact O-CB 3.3Å; S390-L394 WeakPolarHBondContact O-CD1 3.21Å; S390-L394 PolarHBondContact O-N 3.35Å |
| 391 | E | 84.3 | Confident | 81 | Confident | 145 Ų | 145 | 100.7 Ų | 100.7 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 174.9 | -70.6 | -168.3 | 172.7 | 0 | 0 | 111.8 | T387 E388 K393 G395 | T387-E391 PolarHBondContact O-N 3.2Å; E388-E391 PolarHBondContact O-N 2.88Å; E391-K393 VanDerWaalsContact C-N 3.32Å; E391-K393 PolarHBondContact O-N 2.71Å; E391-G395 VanDerWaalsContact O-CA 3.31Å; E391-G395 WeakPolarHBondContact O-CA 3.46Å; E391-G395 PolarHBondContact O-N 3.12Å |
| 392 | L | 75.7 | Confident | 80.2 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -36.3 | 175.8 | -70.9 | 171.8 | 0 | 0 | 0 | 111.8 | E388 S396 | E388-L392 WeakPolarHBondContact O-CB 3.48Å; E388-L392 VanDerWaalsContact O-CG 3.25Å; E388-L392 WeakPolarHBondContact O-CG 3.48Å; E388-L392 PolarHBondContact O-N 2.89Å; L392-S396 WeakPolarHBondContact O-CB 3.49Å; L392-S396 PolarHBondContact O-N 2.86Å |
| 393 | K | 70.6 | Confident | 79.4 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.2 | -47.6 | 178.7 | -76.7 | 163.9 | 178.8 | 146.4 | 0 | 112.7 | N389 S390 E391 S396 G397 | N389-K393 VanDerWaalsContact O-CB 3.25Å; N389-K393 WeakPolarHBondContact O-CB 3.45Å; N389-K393 VanDerWaalsContact O-CD 3.29Å; N389-K393 WeakPolarHBondContact O-CD 3.27Å; N389-K393 WeakPolarHBondContact O-CG 3.27Å; N389-K393 PolarHBondContact O-N 3.25Å; N389-K393 PolarHBondContact OD1-NZ 3Å; S390-K393 PolarHBondContact O-N 2.85Å; E391-K393 VanDerWaalsContact C-N 3.32Å; E391-K393 PolarHBondContact O-N 2.71Å; K393-S396 PolarHBondContact O-N 3.29Å; K393-G397 PolarHBondContact O-N 3.45Å |
| 394 | L | 60.1 | Low | 78.8 | Confident | 125 Ų | 125 | 94.9 Ų | 94.9 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 174.2 | -90.3 | 65.8 | 0 | 0 | 0 | 110.9 | S390 S396 G397 N398 | S390-L394 WeakPolarHBondContact O-CB 3.3Å; S390-L394 WeakPolarHBondContact O-CD1 3.21Å; S390-L394 PolarHBondContact O-N 3.35Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 2.9Å; L394-G397 PolarHBondContact O-N 2.96Å; L394-N398 PolarHBondContact O-N 2.8Å |
| 395 | G | 58.7 | Low | 78.3 | Confident | 18 Ų | 18 | 97.1 Ų | 97.1 | 19% | 0.186 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E391 G397 R399 | E391-G395 VanDerWaalsContact O-CA 3.31Å; E391-G395 WeakPolarHBondContact O-CA 3.46Å; E391-G395 PolarHBondContact O-N 3.12Å; G395-G397 PolarHBondContact O-N 2.91Å; G395-R399 WeakPolarHBondContact O-CB 3.41Å; G395-R399 WeakPolarHBondContact O-CG 3.44Å; G395-R399 PolarHBondContact O-N 3.27Å |
| 396 | S | 60.7 | Low | 78 | Confident | 44 Ų | 44 | 96.9 Ų | 96.9 | 31% | 0.308 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.6 | -163.7 | 0 | 0 | 0 | 0 | 112.5 | L392 K393 L394 K400 | L392-S396 WeakPolarHBondContact O-CB 3.49Å; L392-S396 PolarHBondContact O-N 2.86Å; K393-S396 PolarHBondContact O-N 3.29Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 2.9Å; S396-K400 WeakPolarHBondContact O-CB 3.32Å; S396-K400 VanDerWaalsContact O-CD 3.32Å; S396-K400 WeakPolarHBondContact O-CD 3.29Å; S396-K400 WeakPolarHBondContact O-CG 3.4Å; S396-K400 PolarHBondContact O-N 3.18Å; S396-K400 VanDerWaalsContact O-N 3.1Å; S396-K400 WeakPolarHBondContact OG-CE 3.5Å; S396-K400 PolarHBondContact OG-NZ 3.35Å |
| 397 | G | 64.1 | Low | 77.7 | Confident | 37 Ų | 37 | 98.1 Ų | 98.1 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -55.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K393 L394 G395 K400 V401 | K393-G397 PolarHBondContact O-N 3.45Å; L394-G397 PolarHBondContact O-N 2.96Å; G395-G397 PolarHBondContact O-N 2.91Å; G397-K400 PolarHBondContact O-N 2.98Å; G397-V401 WeakPolarHBondContact O-CG2 3.48Å; G397-V401 PolarHBondContact O-N 2.93Å; G397-V401 VanDerWaalsContact O-N 3.09Å |
| 398 | N | 66.8 | Low | 77.4 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | -176.8 | -67.3 | -11.9 | 0 | 0 | 0 | 112.4 | L394 K400 V401 V402 | L394-N398 PolarHBondContact O-N 2.8Å; N398-K400 PolarHBondContact O-N 3.21Å; N398-V401 PolarHBondContact O-N 2.8Å; N398-V402 WeakPolarHBondContact O-CB 3.42Å; N398-V402 VanDerWaalsContact O-CG2 3.32Å; N398-V402 WeakPolarHBondContact O-CG2 3.46Å; N398-V402 PolarHBondContact O-N 2.77Å |
| 399 | R | 73.4 | Confident | 77.1 | Confident | 184 Ų | 184 | 100 Ų | 100 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -37.1 | 176.1 | -69.4 | 173.2 | -169.6 | -169.5 | 5.5 | 112.1 | G395 V402 C403 | G395-R399 WeakPolarHBondContact O-CB 3.41Å; G395-R399 WeakPolarHBondContact O-CG 3.44Å; G395-R399 PolarHBondContact O-N 3.27Å; R399-V402 PolarHBondContact O-N 2.91Å; R399-C403 WeakPolarHBondContact O-CB 3.44Å; R399-C403 PolarHBondContact O-N 3.5Å; R399-C403 PolarHBondContact O-SG 2.8Å |
| 400 | K | 74.3 | Confident | 77.1 | Confident | 130 Ų | 130 | 103.2 Ų | 103.2 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -45.8 | 173.3 | -76.2 | 165.1 | -179.2 | 153.7 | 0 | 111.7 | S396 G397 N398 C403 I404 | S396-K400 WeakPolarHBondContact O-CB 3.32Å; S396-K400 VanDerWaalsContact O-CD 3.32Å; S396-K400 WeakPolarHBondContact O-CD 3.29Å; S396-K400 WeakPolarHBondContact O-CG 3.4Å; S396-K400 PolarHBondContact O-N 3.18Å; S396-K400 VanDerWaalsContact O-N 3.1Å; S396-K400 WeakPolarHBondContact OG-CE 3.5Å; S396-K400 PolarHBondContact OG-NZ 3.35Å; G397-K400 PolarHBondContact O-N 2.98Å; N398-K400 PolarHBondContact O-N 3.21Å; K400-C403 PolarHBondContact O-N 2.91Å; K400-I404 WeakPolarHBondContact O-CB 3.45Å; K400-I404 WeakPolarHBondContact O-CD1 3.39Å; K400-I404 VanDerWaalsContact O-CG1 3.24Å; K400-I404 WeakPolarHBondContact O-CG1 3.23Å; K400-I404 PolarHBondContact O-N 2.89Å |
| 401 | V | 78.6 | Confident | 77.1 | Confident | 94 Ų | 94 | 103.9 Ų | 103.9 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | G397 N398 I404 M405 | G397-V401 WeakPolarHBondContact O-CG2 3.48Å; G397-V401 PolarHBondContact O-N 2.93Å; G397-V401 VanDerWaalsContact O-N 3.09Å; N398-V401 PolarHBondContact O-N 2.8Å; V401-I404 PolarHBondContact O-N 3.48Å; V401-M405 VanDerWaalsContact O-CB 3.3Å; V401-M405 WeakPolarHBondContact O-CB 3.38Å; V401-M405 PolarHBondContact O-N 3.31Å |
| 402 | V | 81.1 | Confident | 77 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111.7 | N398 R399 I404 M405 V406 | N398-V402 WeakPolarHBondContact O-CB 3.42Å; N398-V402 VanDerWaalsContact O-CG2 3.32Å; N398-V402 WeakPolarHBondContact O-CG2 3.46Å; N398-V402 PolarHBondContact O-N 2.77Å; R399-V402 PolarHBondContact O-N 2.91Å; V402-I404 PolarHBondContact O-N 3.2Å; V402-M405 PolarHBondContact O-N 2.97Å; V402-V406 HydrophobicContact CG1-CG2 4.4Å; V402-V406 WeakPolarHBondContact O-CB 3.49Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.86Å |
| 403 | C | 78.4 | Confident | 77 | Confident | 88 Ų | 88 | 102.7 Ų | 102.7 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 174.5 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | R399 K400 V406 F407 | R399-C403 WeakPolarHBondContact O-CB 3.44Å; R399-C403 PolarHBondContact O-N 3.5Å; R399-C403 PolarHBondContact O-SG 2.8Å; K400-C403 PolarHBondContact O-N 2.91Å; C403-V406 PolarHBondContact O-N 3.07Å; C403-F407 VanDerWaalsContact O-CB 3.3Å; C403-F407 WeakPolarHBondContact O-CB 3.33Å; C403-F407 PolarHBondContact O-N 3.48Å |
| 404 | I | 86.1 | Confident | 77.1 | Confident | 103 Ų | 103 | 101 Ų | 101 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.8 | -69.4 | 165 | 0 | 0 | 0 | 110.8 | K400 V401 V402 F407 L408 | K400-I404 WeakPolarHBondContact O-CB 3.45Å; K400-I404 WeakPolarHBondContact O-CD1 3.39Å; K400-I404 VanDerWaalsContact O-CG1 3.24Å; K400-I404 WeakPolarHBondContact O-CG1 3.23Å; K400-I404 PolarHBondContact O-N 2.89Å; V401-I404 PolarHBondContact O-N 3.48Å; V402-I404 PolarHBondContact O-N 3.2Å; I404-F407 PolarHBondContact O-N 3.36Å; I404-L408 HydrophobicContact CG2-CD1 3.78Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.49Å; I404-L408 VanDerWaalsContact O-CG 3.27Å; I404-L408 WeakPolarHBondContact O-CG 3.47Å; I404-L408 PolarHBondContact O-N 3.13Å |
| 405 | M | 83.9 | Confident | 77.5 | Confident | 120 Ų | 120 | 103.3 Ų | 103.3 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 177.9 | -170.7 | -178.2 | 77.6 | 0 | 0 | 112.1 | V401 V402 L408 L409 | V401-M405 VanDerWaalsContact O-CB 3.3Å; V401-M405 WeakPolarHBondContact O-CB 3.38Å; V401-M405 PolarHBondContact O-N 3.31Å; V402-M405 PolarHBondContact O-N 2.97Å; M405-L408 PolarHBondContact O-N 2.81Å; M405-L409 VanDerWaalsContact O-CB 3.26Å; M405-L409 WeakPolarHBondContact O-CB 3.44Å; M405-L409 PolarHBondContact O-N 2.95Å |
| 406 | V | 89.1 | Confident | 77.5 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 53% | 0.527 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65 | -40.5 | 174.5 | 170.7 | 0 | 0 | 0 | 0 | 111 | V402 C403 L409 F410 | V402-V406 HydrophobicContact CG1-CG2 4.4Å; V402-V406 WeakPolarHBondContact O-CB 3.49Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.86Å; C403-V406 PolarHBondContact O-N 3.07Å; V406-L409 PolarHBondContact O-N 3.38Å; V406-F410 WeakPolarHBondContact O-CB 3.2Å; V406-F410 PolarHBondContact O-N 3.02Å |
| 407 | F | 88.6 | Confident | 77.2 | Confident | 142 Ų | 142 | 107.9 Ų | 107.9 | 62% | 0.623 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.3 | -40.5 | 178.1 | -156.2 | -98.5 | 0 | 0 | 0 | 112.1 | C403 I404 F410 I411 | C403-F407 VanDerWaalsContact O-CB 3.3Å; C403-F407 WeakPolarHBondContact O-CB 3.33Å; C403-F407 PolarHBondContact O-N 3.48Å; I404-F407 PolarHBondContact O-N 3.36Å; F407-F410 PolarHBondContact O-N 2.9Å; F407-I411 HydrophobicContact CD1-CD1 3.68Å; F407-I411 HydrophobicContact CD1-CG1 4.43Å; F407-I411 HydrophobicContact CE1-CD1 3.76Å; F407-I411 WeakPolarHBondContact O-CG1 3.33Å; F407-I411 PolarHBondContact O-N 3.47Å |
| 408 | L | 86.5 | Confident | 76.6 | Confident | 105 Ų | 105 | 113.2 Ų | 113.2 | 55% | 0.55 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 173.1 | -73.5 | 172.1 | 0 | 0 | 0 | 112.1 | I404 M405 I411 A412 | I404-L408 HydrophobicContact CG2-CD1 3.78Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.49Å; I404-L408 VanDerWaalsContact O-CG 3.27Å; I404-L408 WeakPolarHBondContact O-CG 3.47Å; I404-L408 PolarHBondContact O-N 3.13Å; M405-L408 PolarHBondContact O-N 2.81Å; L408-I411 PolarHBondContact O-N 2.92Å; L408-A412 WeakPolarHBondContact O-CB 3.46Å; L408-A412 PolarHBondContact O-N 3.31Å |
| 409 | L | 86.8 | Confident | 75.9 | Confident | 107 Ų | 107 | 113 Ų | 113 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.7 | -41.6 | 174.1 | -177.6 | 63.5 | 0 | 0 | 0 | 111.1 | M405 V406 A412 F413 | M405-L409 VanDerWaalsContact O-CB 3.26Å; M405-L409 WeakPolarHBondContact O-CB 3.44Å; M405-L409 PolarHBondContact O-N 2.95Å; V406-L409 PolarHBondContact O-N 3.38Å; L409-A412 PolarHBondContact O-N 3.05Å; L409-F413 HydrophobicContact CD1-CD2 4.32Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 PolarHBondContact O-N 3.44Å |
| 410 | F | 86.8 | Confident | 74.9 | Confident | 135 Ų | 135 | 112 Ų | 112 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.1 | -44.9 | 174.9 | -168 | -96.8 | 0 | 0 | 0 | 111.4 | V406 F407 F413 N414 | V406-F410 WeakPolarHBondContact O-CB 3.2Å; V406-F410 PolarHBondContact O-N 3.02Å; F407-F410 PolarHBondContact O-N 2.9Å; F410-F413 PolarHBondContact O-N 3.18Å; F410-N414 WeakPolarHBondContact CE1-ND2 3.37Å; F410-N414 WeakPolarHBondContact O-CB 3.32Å; F410-N414 PolarHBondContact O-N 3.26Å; F410-N414 PolarHBondContact O-ND2 3.48Å |
| 411 | I | 84.9 | Confident | 73.8 | Confident | 71 Ų | 71 | 111 Ų | 111 | 36% | 0.364 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.3 | -49 | 172.7 | -71.7 | 167.9 | 0 | 0 | 0 | 110.5 | F407 L408 F413 N414 F415 | F407-I411 HydrophobicContact CD1-CD1 3.68Å; F407-I411 HydrophobicContact CD1-CG1 4.43Å; F407-I411 HydrophobicContact CE1-CD1 3.76Å; F407-I411 WeakPolarHBondContact O-CG1 3.33Å; F407-I411 PolarHBondContact O-N 3.47Å; L408-I411 PolarHBondContact O-N 2.92Å; I411-F413 VanDerWaalsContact C-N 3.33Å; I411-F413 PolarHBondContact O-N 3.22Å; I411-N414 PolarHBondContact O-N 3.44Å; I411-N414 VanDerWaalsContact O-N 3.15Å; I411-F415 HydrophobicContact CB-CD2 4.49Å; I411-F415 HydrophobicContact CG2-CD2 3.92Å; I411-F415 WeakPolarHBondContact O-CB 3.42Å; I411-F415 WeakPolarHBondContact O-CD2 3.27Å; I411-F415 PolarHBondContact O-N 3.3Å |
| 412 | A | 80.9 | Confident | 71.8 | Confident | 61 Ų | 61 | 115 Ų | 115 | 50% | 0.504 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -58.6 | -42.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L408 L409 G416 | L408-A412 WeakPolarHBondContact O-CB 3.46Å; L408-A412 PolarHBondContact O-N 3.31Å; L409-A412 PolarHBondContact O-N 3.05Å; A412-G416 PolarHBondContact O-N 3.34Å |
| 413 | F | 76.3 | Confident | 70.4 | Confident | 176 Ų | 176 | 116 Ų | 116 | 77% | 0.772 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.4 | -26.7 | 177.5 | -115.4 | -88 | 0 | 0 | 0 | 114.1 | L409 F410 I411 | L409-F413 HydrophobicContact CD1-CD2 4.32Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 PolarHBondContact O-N 3.44Å; F410-F413 PolarHBondContact O-N 3.18Å; I411-F413 VanDerWaalsContact C-N 3.33Å; I411-F413 PolarHBondContact O-N 3.22Å |
| 414 | N | 72.8 | Confident | 68.8 | Low | 99 Ų | 99 | 118 Ų | 118 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -90.1 | -20.3 | 177.8 | -77.6 | -94.4 | 0 | 0 | 0 | 113.4 | F410 I411 | F410-N414 WeakPolarHBondContact CE1-ND2 3.37Å; F410-N414 WeakPolarHBondContact O-CB 3.32Å; F410-N414 PolarHBondContact O-N 3.26Å; F410-N414 PolarHBondContact O-ND2 3.48Å; I411-N414 PolarHBondContact O-N 3.44Å; I411-N414 VanDerWaalsContact O-N 3.15Å |
| 415 | F | 68.4 | Low | 67.3 | Low | 174 Ų | 174 | 119.2 Ų | 119.2 | 76% | 0.763 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -116.9 | 12.5 | -172 | -72.2 | -80.9 | 0 | 0 | 0 | 115.5 | I411 | I411-F415 HydrophobicContact CB-CD2 4.49Å; I411-F415 HydrophobicContact CG2-CD2 3.92Å; I411-F415 WeakPolarHBondContact O-CB 3.42Å; I411-F415 WeakPolarHBondContact O-CD2 3.27Å; I411-F415 PolarHBondContact O-N 3.3Å |
| 416 | G | 59.4 | Low | 65 | Low | 43 Ų | 43 | 118.1 Ų | 118.1 | 44% | 0.443 | 68% | 0.677 | S | S | . | * | trans | -172.9 | 156.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A412 | A412-G416 PolarHBondContact O-N 3.34Š| ||
| 417 | P | 53.1 | Low | 63.3 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | S | Bend | cis | -111.9 | 119.3 | 2.7 | 35.1 | -22.9 | 0 | 0 | 0 | 113.5 | ||
| 418 | V | 52 | Low | 60.6 | Low | 149 Ų | 149 | 121 Ų | 121 | 90% | 0.903 | 70% | 0.7 | S | S | * | * | trans | -129.2 | 67.3 | 166.2 | -170 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 419 | S | 52.7 | Low | 58.2 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -162.4 | 65.6 | 171.8 | -154.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 420 | I | 53.4 | Low | 56.2 | Low | 161 Ų | 161 | 120.8 Ų | 120.8 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -139.7 | 42.8 | 170 | -35.7 | 177.8 | 0 | 0 | 0 | 111.9 | ||
| 421 | S | 49.9 | Very low | 53.4 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -169.6 | 103.2 | 168.5 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 422 | E | 37.6 | Very low | 50.7 | Low | 179 Ų | 179 | 129.1 Ų | 129.1 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -175.1 | 135 | 139.1 | -151 | 66.1 | -95 | 0 | 0 | 110.6 | ||||
| 423 | P | 49.9 | Very low | 48.1 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 161.3 | 164.7 | 11.5 | 7.2 | 0 | 0 | 0 | 112.4 | ||
| 424 | P | 45.8 | Very low | 45.8 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.7 | -173.7 | 29.9 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 425 | P | 54 | Low | 43.7 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 161.8 | -179.7 | 38.3 | -35.3 | 0 | 0 | 0 | 115 | ||
| 426 | A | 36.3 | Very low | 42 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -151.9 | 156.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 427 | P | 52.4 | Low | 40.5 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -130.6 | 156.5 | -118.6 | 41.6 | -30.4 | 0 | 0 | 0 | 117.6 | |||||
| 428 | I | 33.7 | Very low | 39.8 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | -138.6 | 142.4 | 158.1 | -71.1 | 96.4 | 0 | 0 | 0 | 109.4 | ||||
| 429 | S | 35.8 | Very low | 39.6 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -119.9 | 156.3 | 157.5 | 83.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 430 | P | 43.5 | Very low | 39.2 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | -157.6 | 173.3 | 79.4 | 41.8 | -22.3 | 0 | 0 | 0 | 118.3 | |||||
| 431 | R | 28.6 | Very low | 39.3 | Very low | 216 Ų | 216 | 145.3 Ų | 145.3 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | 66.8 | 127 | 143.8 | -84.8 | 177.1 | 174.3 | 177.6 | -1.5 | 122.2 | ||||
| 432 | M | 28 | Very low | 38.5 | Very low | 166 Ų | 166 | 147 Ų | 147 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 69 | 144.9 | 132.1 | -70.8 | 163.4 | 146.9 | 0 | 0 | 118.6 | ||||
| 433 | S | 26.8 | Very low | 38.5 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -170.2 | 179.6 | -1.3 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 434 | R | 26.8 | Very low | 37.7 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 85.3 | 115.9 | 169.3 | -128.4 | 157 | -159.8 | -178.2 | 3.2 | 114.7 | ||||
| 435 | E | 29.9 | Very low | 36.7 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | 62.4 | 139.7 | 62.6 | -64.9 | 179.7 | 127.2 | 0 | 0 | 113.5 | |||||
| 436 | E | 32.2 | Very low | 35.7 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | cis | -167.4 | 140.6 | -12.6 | 178.3 | 74.6 | 175.5 | 0 | 0 | 107.6 | R438 | E436-R438 WeakPolarHBondContact OE1-CD 3.4Å; E436-R438 IonicContact OE1-CZ 3.57Å; E436-R438 IonicContact OE1-NE 3.79Å; E436-R438 IonicContact OE1-NH1 2.69Å; E436-R438 PolarHBondContact OE1-NH1 2.8Å | ||
| 437 | A | 28.3 | Very low | 35.5 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -152 | 113.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 438 | R | 38.5 | Very low | 34.3 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -146.6 | 174.2 | -174.3 | -98.2 | 179 | 175.7 | 141.5 | -11.2 | 107.4 | E436 | E436-R438 WeakPolarHBondContact OE1-CD 3.4Å; E436-R438 IonicContact OE1-CZ 3.57Å; E436-R438 IonicContact OE1-NE 3.79Å; E436-R438 IonicContact OE1-NH1 2.69Å; E436-R438 PolarHBondContact OE1-NH1 2.8Å | ||
| 439 | P | 48.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | -143.6 | -158.1 | -18.8 | 32.9 | -8.3 | 0 | 0 | 0 | 114.1 | ||||
| 440 | R | 42.4 | Very low | 33.7 | Very low | 219 Ų | 219 | 152.9 Ų | 152.9 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | 83 | 145.5 | 154.2 | -71.5 | 167.8 | 169.8 | 173.8 | -3.8 | 118 | ||||
| 441 | R | 56.2 | Low | 33.5 | Very low | 197 Ų | 197 | 154 Ų | 154 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -152 | -175.6 | 4 | -114.5 | 169.3 | 176.2 | 176.9 | -0.1 | 107.5 | ||||
| 442 | H | 32.4 | Very low | 33.4 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | cis | -138.1 | 167 | 4.2 | -107 | -96.4 | 0 | 0 | 0 | 107.4 | ||||
| 443 | L | 38.7 | Very low | 33.5 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | 100.6 | 78 | 2.9 | -163.4 | 88.2 | 0 | 0 | 0 | 118.8 | ||||
| 444 | L | 32.5 | Very low | 33.5 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -162.3 | 130.5 | 143.1 | -90.7 | 171.1 | 0 | 0 | 0 | 105.8 | ||||
| 445 | E | 25.4 | Very low | 33.7 | Very low | 150 Ų | 150 | 143 Ų | 143 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | 72.7 | 127.9 | 56.3 | -134.5 | 172.6 | 175.3 | 0 | 0 | 112.2 | |||||
| 446 | F | 32 | Very low | 33.7 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | cis | -134.6 | -176.1 | 35.8 | -79.5 | -92.4 | 0 | 0 | 0 | 115.9 | ||||
| 447 | S | 32.5 | Very low | 34.1 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -117.9 | 164 | -176.8 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 448 | E | 28.1 | Very low | 34.2 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -144.4 | 112.6 | 149.3 | -139.6 | 163.6 | -141.1 | 0 | 0 | 113.9 | ||||
| 449 | Q | 29.6 | Very low | 33.9 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | 40.6 | 132.4 | 144.5 | -134.9 | 149.3 | 11.3 | 0 | 0 | 123.3 | ||||
| 450 | G | 26.6 | Very low | 32.8 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -96.9 | -152.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 451 | P | 40 | Very low | 32 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -144.4 | 178.6 | 10.8 | 45 | -27 | 0 | 0 | 0 | 117.5 | ||||
| 452 | A | 26.6 | Very low | 30.6 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | trans | 68.2 | 146.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 453 | H | 28.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | 70.8 | 134 | 173.9 | -50 | -72.8 | 0 | 0 | 0 | 116.5 | ||||
| 454 | G | 26.5 | Very low | 29.8 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 154.9 | 166.9 | -4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 455 | V | 32.9 | Very low | 30.1 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 69.9 | 86.1 | 170.6 | -167.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 456 | E | 29.2 | Very low | 30.1 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | -55.6 | 146.4 | 128 | -108.2 | -86.6 | 116.6 | 0 | 0 | 107.5 | |||||
| 457 | P | 41.3 | Very low | 29.9 | Very low | 84 Ų | 84 | 133 Ų | 133 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | -156.7 | -173.8 | 57.1 | 44.4 | -24.2 | 0 | 0 | 0 | 118.6 | |||||
| 458 | L | 30.2 | Very low | 29.6 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | 74.6 | 133.8 | 150.4 | -101.7 | 55.4 | 0 | 0 | 0 | 117.1 | ||||
| 459 | Q | 30.6 | Very low | 29.7 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -160.3 | 160.2 | -9.4 | -136.7 | -179 | 63.5 | 0 | 0 | 111.7 | ||||
| 460 | K | 26.3 | Very low | 29.7 | Very low | 187 Ų | 187 | 134 Ų | 134 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 12.3 | 142.5 | 144.3 | -77.3 | -179.9 | 175 | 174.7 | 0 | 120 | ||||
| 461 | A | 26.2 | Very low | 29.7 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | cis | -170.2 | 167.8 | 2.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 462 | A | 26.7 | Very low | 29.7 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 103.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 463 | R | 27.2 | Very low | 29.9 | Very low | 256 Ų | 256 | 137.9 Ų | 137.9 | 97% | 0.966 | 77% | 0.772 | S | S | * | * | trans | -135.8 | 121.8 | 130.6 | -85.9 | -164.2 | 177 | -172.6 | 0.3 | 112.2 | ||||
| 464 | G | 25.7 | Very low | 29.9 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -131.2 | -171.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 465 | P | 39.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -130.3 | -156.8 | 3.3 | 39.2 | -19.8 | 0 | 0 | 0 | 113.1 | ||||
| 466 | E | 26.1 | Very low | 30 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 78.4 | 159.3 | -68.2 | -165.3 | 107.5 | 0 | 0 | 121.2 | ||||
| 467 | E | 26.6 | Very low | 30 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | -22.6 | 123.5 | 119.5 | -174.1 | -144.9 | 165.4 | 0 | 0 | 116.9 | |||||
| 468 | R | 25.6 | Very low | 29.3 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | -178.4 | 154.1 | 120.7 | -101 | 165.5 | -170 | 69.1 | 19 | 115.9 | |||||
| 469 | Q | 30.5 | Very low | 29.3 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -74.9 | 166.8 | 168.8 | -71 | -174.2 | -15.2 | 0 | 0 | 112.6 | ||||
| 470 | P | 30.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -130.5 | 173.3 | 121.2 | 37.8 | -31.1 | 0 | 0 | 0 | 115.3 | |||||
| 471 | S | 27.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -75.9 | 163.1 | -167.2 | -46.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 472 | P | 39.9 | Very low | 29.7 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -82.8 | 121.9 | -179.4 | 32.1 | -34.4 | 0 | 0 | 0 | 113.8 | ||||
| 473 | A | 30.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -152.2 | 121.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 474 | G | 27.6 | Very low | 30.2 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 169 | 70.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 475 | R | 32.8 | Very low | 30.6 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 127.9 | 168.7 | -77.4 | -179.9 | 170.3 | 179.6 | -4 | 110.3 | S477 | R475-S477 PolarHBondContact O-N 2.84Š| ||
| 476 | P | 30.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -69.1 | 122.3 | 165.5 | 28.2 | -32.2 | 0 | 0 | 0 | 109.9 | F478 | P476-F478 PolarHBondContact O-N 3.2Š| ||
| 477 | S | 27.5 | Very low | 31.3 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -86.7 | 108 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | R475 R479 | R475-S477 PolarHBondContact O-N 2.84Å; S477-R479 PolarHBondContact O-N 3.31Å | ||
| 478 | F | 27 | Very low | 31.9 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -68.1 | 99.7 | 171 | -88 | -90.9 | 0 | 0 | 0 | 111 | P476 N480 | P476-F478 PolarHBondContact O-N 3.2Å; F478-N480 PolarHBondContact O-N 3.06Å | ||
| 479 | R | 30.4 | Very low | 32.6 | Very low | 220 Ų | 220 | 135.5 Ų | 135.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -75.2 | 100.5 | 170.8 | -91.7 | -176 | 161.3 | -175.6 | -5 | 111.2 | S477 L481 | S477-R479 PolarHBondContact O-N 3.31Å; R479-L481 PolarHBondContact O-N 2.84Å; R479-L481 VanDerWaalsContact O-N 3.13Å | ||
| 480 | N | 29.7 | Very low | 33.2 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -69.3 | 100.2 | 164.2 | -99.8 | -73.7 | 0 | 0 | 0 | 110.5 | F478 T482 | F478-N480 PolarHBondContact O-N 3.06Å; N480-T482 VanDerWaalsContact C-N 3.35Å; N480-T482 PolarHBondContact O-N 2.91Å | ||
| 481 | L | 33.1 | Very low | 33.8 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -89.5 | 68.2 | 170 | -71.9 | 175.5 | 0 | 0 | 0 | 110.9 | R479 | R479-L481 PolarHBondContact O-N 2.84Å; R479-L481 VanDerWaalsContact O-N 3.13Å | ||
| 482 | T | 29.6 | Very low | 34.8 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 63% | 0.632 | 80% | 0.804 | S | S | * | * | trans | -100.5 | 69.4 | 171.7 | 35.5 | 0 | 0 | 0 | 0 | 111.4 | N480 | N480-T482 VanDerWaalsContact C-N 3.35Å; N480-T482 PolarHBondContact O-N 2.91Å | ||
| 483 | A | 28.2 | Very low | 35.1 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -111 | 88 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 484 | F | 34.3 | Very low | 35.8 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 124.9 | 167.9 | -86.3 | -84.2 | 0 | 0 | 0 | 110.3 | G486 | F484-G486 PolarHBondContact O-N 3.31Š|
| 485 | P | 34.6 | Very low | 36.5 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 129.4 | 159 | -17.4 | 31.7 | 0 | 0 | 0 | 109.3 | ||
| 486 | G | 40.3 | Very low | 37.3 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -76.2 | 127.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F484 | F484-G486 PolarHBondContact O-N 3.31Š|
| 487 | G | 40.3 | Very low | 38 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | 172.8 | 29.7 | 178 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 488 | A | 38.9 | Very low | 38.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | -154 | 62.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 489 | K | 41.5 | Very low | 39.6 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -109.4 | 5.2 | -174.5 | -97 | -159.8 | 169.6 | -154.7 | 0 | 116.7 | ||||
| 490 | E | 43.8 | Very low | 40.3 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -130.7 | 6.9 | -158.4 | -154.6 | 152 | -145.6 | 0 | 0 | 115.1 | ||
| 491 | L | 42 | Very low | 41.3 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -123 | 2.2 | -175.1 | -65.2 | 177 | 0 | 0 | 0 | 115.4 | ||
| 492 | L | 49 | Very low | 41.9 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -109.6 | 47.2 | -173.8 | -64.6 | 179.2 | 0 | 0 | 0 | 113.6 | ||
| 493 | L | 45.4 | Very low | 42.3 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -143.2 | -22.8 | 171.5 | -147.8 | 72.2 | 0 | 0 | 0 | 115.1 | ||
| 494 | R | 44.2 | Very low | 43.1 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -86.1 | -32.3 | 177.1 | -85.5 | -90.5 | 69.6 | -178.7 | 2.3 | 114.3 | D497 | R494-D497 IonicContact CZ-OD2 3.64Å; R494-D497 IonicContact NE-OD2 3.79Å; R494-D497 IonicContact NH2-OD2 2.7Å; R494-D497 PolarHBondContact NH2-OD2 2.96Å |
| 495 | D | 42.7 | Very low | 43.5 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 56% | 0.561 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -83.3 | -22.2 | -170 | -65.5 | 5.4 | 0 | 0 | 0 | 112.9 | ||
| 496 | L | 49.8 | Very low | 44.2 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 47% | 0.466 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -70.5 | -39.1 | 176.3 | -81.7 | 76.3 | 0 | 0 | 0 | 111.9 | Q498 L499 F500 | L496-Q498 PolarHBondContact O-N 3.49Å; L496-L499 PolarHBondContact O-N 3.15Å; L496-L499 VanDerWaalsContact O-N 3.08Å; L496-F500 VanDerWaalsContact O-CD2 3.3Å; L496-F500 WeakPolarHBondContact O-CD2 3.45Å; L496-F500 PolarHBondContact O-N 2.85Å |
| 497 | D | 45.6 | Very low | 45 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 41% | 0.412 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -51.8 | -42 | 176 | -77.2 | -21.2 | 0 | 0 | 0 | 112 | R494 L499 L501 | R494-D497 IonicContact CZ-OD2 3.64Å; R494-D497 IonicContact NE-OD2 3.79Å; R494-D497 IonicContact NH2-OD2 2.7Å; R494-D497 PolarHBondContact NH2-OD2 2.96Å; D497-L499 VanDerWaalsContact C-N 3.34Å; D497-L499 PolarHBondContact O-N 2.82Å; D497-L501 WeakPolarHBondContact O-CG 3.38Å; D497-L501 PolarHBondContact O-N 3.35Å |
| 498 | Q | 43.8 | Very low | 45.6 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71.5 | -27.6 | -177 | -69.2 | -167.7 | -11.9 | 0 | 0 | 112.9 | L496 A502 | L496-Q498 PolarHBondContact O-N 3.49Å; Q498-A502 VanDerWaalsContact O-CB 3.25Å; Q498-A502 WeakPolarHBondContact O-CB 3.48Å; Q498-A502 PolarHBondContact O-N 2.91Å |
| 499 | L | 45.3 | Very low | 47.1 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.9 | -37.4 | 177.7 | -64.7 | 172.2 | 0 | 0 | 0 | 112 | L496 D497 S503 | L496-L499 PolarHBondContact O-N 3.15Å; L496-L499 VanDerWaalsContact O-N 3.08Å; D497-L499 VanDerWaalsContact C-N 3.34Å; D497-L499 PolarHBondContact O-N 2.82Å; L499-S503 PolarHBondContact O-OG 2.74Å |
| 500 | F | 45.1 | Very low | 48.5 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.5 | -24.5 | 175.3 | -72.2 | -68.9 | 0 | 0 | 0 | 113.6 | L496 | L496-F500 VanDerWaalsContact O-CD2 3.3Å; L496-F500 WeakPolarHBondContact O-CD2 3.45Å; L496-F500 PolarHBondContact O-N 2.85Å |
| 501 | L | 50.7 | Low | 50.2 | Low | 135 Ų | 135 | 130 Ų | 130 | 71% | 0.707 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -86.3 | -18.4 | 176.5 | -74.7 | 168.3 | 0 | 0 | 0 | 114.5 | D497 | D497-L501 WeakPolarHBondContact O-CG 3.38Å; D497-L501 PolarHBondContact O-N 3.35Å |
| 502 | A | 45 | Very low | 51.5 | Low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -99.3 | -3.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q498 | Q498-A502 VanDerWaalsContact O-CB 3.25Å; Q498-A502 WeakPolarHBondContact O-CB 3.48Å; Q498-A502 PolarHBondContact O-N 2.91Å |
| 503 | S | 37.8 | Very low | 53.1 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 49% | 0.49 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -102.7 | 126.9 | -179.2 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | L499 C505 | L499-S503 PolarHBondContact O-OG 2.74Å; S503-C505 VanDerWaalsContact CB-SG 3.54Å; S503-C505 PolarHBondContact O-N 2.91Å |
| 504 | D | 44.8 | Very low | 54.8 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | trans | -75.5 | 51.4 | -178.9 | -129.5 | -54 | 0 | 0 | 0 | 111.9 | R506 | D504-R506 VanDerWaalsContact C-N 3.26Å; D504-R506 PolarHBondContact O-N 2.97Å; D504-R506 IonicContact OD1-CZ 2.91Å; D504-R506 IonicContact OD1-NE 3.35Å; D504-R506 PolarHBondContact OD1-NE 2.93Å; D504-R506 IonicContact OD1-NH2 2.73Å; D504-R506 PolarHBondContact OD1-NH2 3.2Å | ||
| 505 | C | 42.5 | Very low | 56.9 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | trans | -77.4 | 64 | -174.9 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | S503 H507 F508 | S503-C505 VanDerWaalsContact CB-SG 3.54Å; S503-C505 PolarHBondContact O-N 2.91Å; C505-H507 PolarHBondContact O-N 3.45Å; C505-F508 PolarHBondContact O-N 3.46Å | ||
| 506 | R | 49.5 | Very low | 59 | Low | 199 Ų | 199 | 118 Ų | 118 | 75% | 0.751 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 11.7 | -174.4 | -61.9 | -165.1 | -178.4 | -163.4 | 1.6 | 117.1 | D504 | D504-R506 VanDerWaalsContact C-N 3.26Å; D504-R506 PolarHBondContact O-N 2.97Å; D504-R506 IonicContact OD1-CZ 2.91Å; D504-R506 IonicContact OD1-NE 3.35Å; D504-R506 PolarHBondContact OD1-NE 2.93Å; D504-R506 IonicContact OD1-NH2 2.73Å; D504-R506 PolarHBondContact OD1-NH2 3.2Å |
| 507 | H | 57 | Low | 60.9 | Low | 189 Ų | 189 | 116.3 Ų | 116.3 | 88% | 0.875 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 8.8 | -176.2 | -58.4 | 117.8 | 0 | 0 | 0 | 114.4 | C505 | C505-H507 PolarHBondContact O-N 3.45Š|
| 508 | F | 53.7 | Low | 62.8 | Low | 143 Ų | 143 | 118.1 Ų | 118.1 | 63% | 0.627 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -103.9 | 126.3 | 170.1 | -124.3 | -87.5 | 0 | 0 | 0 | 111 | C505 R510 L516 | C505-F508 PolarHBondContact O-N 3.46Å; F508-R510 PolarHBondContact O-N 3.37Å; F508-L516 HydrophobicContact CE1-CD1 4.22Å |
| 509 | N | 70.6 | Confident | 65.1 | Low | 99 Ų | 99 | 116.1 Ų | 116.1 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | trans | -69.2 | 124.3 | 176 | -174.2 | 0.7 | 0 | 0 | 0 | 109.6 | T511 E512 S513 | N509-T511 VanDerWaalsContact C-N 3.28Å; N509-T511 PolarHBondContact ND2-OG1 3.23Å; N509-T511 PolarHBondContact O-N 2.93Å; N509-T511 PolarHBondContact OD1-N 2.98Å; N509-T511 PolarHBondContact OD1-OG1 3.06Å; N509-E512 HydrophobicContact CB-CB 4.25Å; N509-E512 HydrophobicContact CB-CG 4.19Å; N509-E512 PolarHBondContact O-N 2.77Å; N509-S513 PolarHBondContact O-N 2.86Å | ||
| 510 | R | 70.4 | Confident | 67.1 | Low | 188 Ų | 188 | 115.8 Ų | 115.8 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.2 | -34.9 | -173.1 | -168.1 | 171.6 | -178.1 | 164.8 | 1 | 112.5 | F508 S513 L514 | F508-R510 PolarHBondContact O-N 3.37Å; R510-S513 WeakPolarHBondContact CA-OG 3.25Å; R510-S513 PolarHBondContact O-OG 2.85Å; R510-L514 WeakPolarHBondContact O-CG 3.3Å; R510-L514 PolarHBondContact O-N 3.26Å |
| 511 | T | 78.9 | Confident | 69.1 | Low | 88 Ų | 88 | 111.1 Ų | 111.1 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.1 | -43.2 | 176.3 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | N509 L514 R515 | N509-T511 VanDerWaalsContact C-N 3.28Å; N509-T511 PolarHBondContact ND2-OG1 3.23Å; N509-T511 PolarHBondContact O-N 2.93Å; N509-T511 PolarHBondContact OD1-N 2.98Å; N509-T511 PolarHBondContact OD1-OG1 3.06Å; T511-L514 PolarHBondContact O-N 3.31Å; T511-R515 WeakPolarHBondContact O-CB 3.49Å; T511-R515 PolarHBondContact O-N 2.87Å |
| 512 | E | 69.9 | Low | 70.8 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 40% | 0.397 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 175.8 | -69.5 | -54.8 | 128.6 | 0 | 0 | 111.7 | N509 L514 R515 L516 | N509-E512 HydrophobicContact CB-CB 4.25Å; N509-E512 HydrophobicContact CB-CG 4.19Å; N509-E512 PolarHBondContact O-N 2.77Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 2.9Å; E512-R515 PolarHBondContact O-N 2.99Å; E512-L516 WeakPolarHBondContact O-CB 3.41Å; E512-L516 VanDerWaalsContact O-CG 3.27Å; E512-L516 WeakPolarHBondContact O-CG 3.3Å; E512-L516 PolarHBondContact O-N 2.99Å |
| 513 | S | 83.3 | Confident | 72.7 | Confident | 49 Ų | 49 | 109 Ų | 109 | 34% | 0.343 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | N509 R510 A517 | N509-S513 PolarHBondContact O-N 2.86Å; R510-S513 WeakPolarHBondContact CA-OG 3.25Å; R510-S513 PolarHBondContact O-OG 2.85Å; S513-A517 WeakPolarHBondContact O-CB 3.47Å; S513-A517 PolarHBondContact O-N 3.21Å; S513-A517 VanDerWaalsContact O-N 3.11Å |
| 514 | L | 79.7 | Confident | 75.3 | Confident | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.2 | -47 | 175 | -76.1 | 164.3 | 0 | 0 | 0 | 111.1 | R510 T511 E512 L516 A517 D518 | R510-L514 WeakPolarHBondContact O-CG 3.3Å; R510-L514 PolarHBondContact O-N 3.26Å; T511-L514 PolarHBondContact O-N 3.31Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 2.9Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L514-L516 PolarHBondContact O-N 3.28Å; L514-A517 WeakPolarHBondContact O-CB 3.17Å; L514-A517 PolarHBondContact O-N 3.39Å; L514-A517 VanDerWaalsContact O-N 3.16Å; L514-D518 PolarHBondContact O-N 3.48Å |
| 515 | R | 88.4 | Confident | 76.9 | Confident | 145 Ų | 145 | 108.1 Ų | 108.1 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 176.2 | -178.3 | -175.7 | 170.8 | 153.8 | 4.5 | 111.9 | T511 E512 A517 D518 E519 | T511-R515 WeakPolarHBondContact O-CB 3.49Å; T511-R515 PolarHBondContact O-N 2.87Å; E512-R515 PolarHBondContact O-N 2.99Å; R515-A517 VanDerWaalsContact C-N 3.34Å; R515-A517 PolarHBondContact O-N 3.47Å; R515-D518 PolarHBondContact O-N 2.89Å; R515-E519 IonicContact CZ-OE1 3.67Å; R515-E519 VanDerWaalsContact CZ-OE1 3.3Å; R515-E519 IonicContact NE-OE1 2.91Å; R515-E519 PolarHBondContact NE-OE1 3.45Å; R515-E519 IonicContact NH2-OE1 3.5Å; R515-E519 PolarHBondContact NH2-OE1 3.1Å; R515-E519 WeakPolarHBondContact O-CG 3.27Å; R515-E519 PolarHBondContact O-N 3.1Å |
| 516 | L | 87.4 | Confident | 78.9 | Confident | 79 Ų | 79 | 111.8 Ų | 111.8 | 41% | 0.414 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 178 | -71 | 168.6 | 0 | 0 | 0 | 111.8 | F508 E512 L514 L520 | F508-L516 HydrophobicContact CE1-CD1 4.22Å; E512-L516 WeakPolarHBondContact O-CB 3.41Å; E512-L516 VanDerWaalsContact O-CG 3.27Å; E512-L516 WeakPolarHBondContact O-CG 3.3Å; E512-L516 PolarHBondContact O-N 2.99Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L514-L516 PolarHBondContact O-N 3.28Å; L516-L520 VanDerWaalsContact O-CB 3.26Å; L516-L520 WeakPolarHBondContact O-CB 3.39Å; L516-L520 WeakPolarHBondContact O-CD1 3.45Å; L516-L520 WeakPolarHBondContact O-CG 3.37Å; L516-L520 PolarHBondContact O-N 2.94Å |
| 517 | A | 89.6 | Confident | 80.1 | Confident | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S513 L514 R515 S521 | S513-A517 WeakPolarHBondContact O-CB 3.47Å; S513-A517 PolarHBondContact O-N 3.21Å; S513-A517 VanDerWaalsContact O-N 3.11Å; L514-A517 WeakPolarHBondContact O-CB 3.17Å; L514-A517 PolarHBondContact O-N 3.39Å; L514-A517 VanDerWaalsContact O-N 3.16Å; R515-A517 VanDerWaalsContact C-N 3.34Å; R515-A517 PolarHBondContact O-N 3.47Å; A517-S521 WeakPolarHBondContact O-CB 3.46Å; A517-S521 PolarHBondContact O-N 3.45Å |
| 518 | D | 86.1 | Confident | 81.2 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -45.9 | 175.7 | -80 | -22.9 | 0 | 0 | 0 | 112 | L514 R515 L520 S521 G522 | L514-D518 PolarHBondContact O-N 3.48Å; R515-D518 PolarHBondContact O-N 2.89Å; D518-L520 PolarHBondContact O-N 2.87Å; D518-S521 PolarHBondContact O-N 3.4Å; D518-S521 PolarHBondContact O-OG 2.98Å; D518-G522 PolarHBondContact O-N 3.29Å |
| 519 | E | 90.9 | Very high | 81.9 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.8 | -73.9 | -173.3 | -161.2 | 0 | 0 | 112 | R515 G522 W523 | R515-E519 IonicContact CZ-OE1 3.67Å; R515-E519 VanDerWaalsContact CZ-OE1 3.3Å; R515-E519 IonicContact NE-OE1 2.91Å; R515-E519 PolarHBondContact NE-OE1 3.45Å; R515-E519 IonicContact NH2-OE1 3.5Å; R515-E519 PolarHBondContact NH2-OE1 3.1Å; R515-E519 WeakPolarHBondContact O-CG 3.27Å; R515-E519 PolarHBondContact O-N 3.1Å; E519-G522 PolarHBondContact O-N 3.25Å; E519-W523 WeakPolarHBondContact O-CB 3.43Å; E519-W523 PolarHBondContact O-N 2.85Å |
| 520 | L | 87.9 | Confident | 81.7 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 172.3 | -75 | 168.9 | 0 | 0 | 0 | 112 | L516 D518 G522 W523 V524 | L516-L520 VanDerWaalsContact O-CB 3.26Å; L516-L520 WeakPolarHBondContact O-CB 3.39Å; L516-L520 WeakPolarHBondContact O-CD1 3.45Å; L516-L520 WeakPolarHBondContact O-CG 3.37Å; L516-L520 PolarHBondContact O-N 2.94Å; D518-L520 PolarHBondContact O-N 2.87Å; L520-G522 VanDerWaalsContact C-N 3.33Å; L520-G522 PolarHBondContact O-N 3Å; L520-W523 WeakPolarHBondContact O-CB 3.08Å; L520-W523 PolarHBondContact O-N 3.26Å; L520-V524 WeakPolarHBondContact O-CG2 3.25Å; L520-V524 PolarHBondContact O-N 2.96Å |
| 521 | S | 87.8 | Confident | 81.2 | Confident | 69 Ų | 69 | 101.1 Ų | 101.1 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.5 | 88 | 0 | 0 | 0 | 0 | 111.1 | A517 D518 V524 Q525 | A517-S521 WeakPolarHBondContact O-CB 3.46Å; A517-S521 PolarHBondContact O-N 3.45Å; D518-S521 PolarHBondContact O-N 3.4Å; D518-S521 PolarHBondContact O-OG 2.98Å; S521-V524 PolarHBondContact O-N 2.96Å; S521-Q525 WeakPolarHBondContact O-CB 3.4Å; S521-Q525 PolarHBondContact O-N 2.95Å |
| 522 | G | 86.6 | Confident | 80.1 | Confident | 25 Ų | 25 | 106.1 Ų | 106.1 | 26% | 0.258 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D518 E519 L520 R526 | D518-G522 PolarHBondContact O-N 3.29Å; E519-G522 PolarHBondContact O-N 3.25Å; L520-G522 VanDerWaalsContact C-N 3.33Å; L520-G522 PolarHBondContact O-N 3Å; G522-R526 WeakPolarHBondContact O-CB 3.44Å; G522-R526 VanDerWaalsContact O-CG 3.24Å; G522-R526 WeakPolarHBondContact O-CG 3.34Å; G522-R526 PolarHBondContact O-N 3.09Å; G522-R526 PolarHBondContact O-NE 2.98Å |
| 523 | W | 85 | Confident | 79.2 | Confident | 151 Ų | 151 | 112.7 Ų | 112.7 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.1 | -51.2 | 170.8 | -173.8 | 93.7 | 0 | 0 | 0 | 111.5 | E519 L520 Q525 R526 H527 | E519-W523 WeakPolarHBondContact O-CB 3.43Å; E519-W523 PolarHBondContact O-N 2.85Å; L520-W523 WeakPolarHBondContact O-CB 3.08Å; L520-W523 PolarHBondContact O-N 3.26Å; W523-Q525 VanDerWaalsContact C-N 3.29Å; W523-Q525 PolarHBondContact O-N 3.45Å; W523-R526 PolarHBondContact O-N 2.93Å; W523-H527 WeakPolarHBondContact O-CB 3.5Å; W523-H527 PolarHBondContact O-N 3.27Å |
| 524 | V | 90.4 | Very high | 77.2 | Confident | 74 Ų | 74 | 117.9 Ų | 117.9 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.1 | -42.7 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | L520 S521 H527 Q528 | L520-V524 WeakPolarHBondContact O-CG2 3.25Å; L520-V524 PolarHBondContact O-N 2.96Å; S521-V524 PolarHBondContact O-N 2.96Å; V524-H527 PolarHBondContact O-N 3.43Å; V524-Q528 VanDerWaalsContact O-CB 3.27Å; V524-Q528 WeakPolarHBondContact O-CB 3.45Å; V524-Q528 PolarHBondContact O-N 3.35Å |
| 525 | Q | 79.6 | Confident | 75.4 | Confident | 109 Ų | 109 | 118.5 Ų | 118.5 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.9 | -38.3 | -179.9 | -151.7 | -166.7 | 78.3 | 0 | 0 | 112.2 | S521 W523 Q528 R529 | S521-Q525 WeakPolarHBondContact O-CB 3.4Å; S521-Q525 PolarHBondContact O-N 2.95Å; W523-Q525 VanDerWaalsContact C-N 3.29Å; W523-Q525 PolarHBondContact O-N 3.45Å; Q525-Q528 PolarHBondContact O-N 3.3Å; Q525-R529 WeakPolarHBondContact O-CB 3.32Å; Q525-R529 VanDerWaalsContact O-CG 3.24Å; Q525-R529 WeakPolarHBondContact O-CG 3.39Å; Q525-R529 PolarHBondContact O-N 2.9Å |
| 526 | R | 83.8 | Confident | 73.4 | Confident | 170 Ų | 170 | 120.4 Ų | 120.4 | 64% | 0.642 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.5 | -49.4 | 171.8 | -79.1 | 178.1 | -72.4 | -179.6 | -1.5 | 111.4 | G522 W523 Q528 R529 G530 | G522-R526 WeakPolarHBondContact O-CB 3.44Å; G522-R526 VanDerWaalsContact O-CG 3.24Å; G522-R526 WeakPolarHBondContact O-CG 3.34Å; G522-R526 PolarHBondContact O-N 3.09Å; G522-R526 PolarHBondContact O-NE 2.98Å; W523-R526 PolarHBondContact O-N 2.93Å; R526-Q528 VanDerWaalsContact C-N 3.34Å; R526-Q528 PolarHBondContact O-N 3.31Å; R526-R529 PolarHBondContact O-N 2.95Å; R526-G530 PolarHBondContact O-N 3.49Å |
| 527 | H | 75.5 | Confident | 71.2 | Confident | 99 Ų | 99 | 128 Ų | 128 | 46% | 0.458 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.9 | -40.9 | 177.2 | 177.5 | -131.9 | 0 | 0 | 0 | 112.3 | W523 V524 G530 R531 | W523-H527 WeakPolarHBondContact O-CB 3.5Å; W523-H527 PolarHBondContact O-N 3.27Å; V524-H527 PolarHBondContact O-N 3.43Å; H527-G530 PolarHBondContact O-N 3.47Å; H527-R531 PolarHBondContact O-N 3.47Å |
| 528 | Q | 79.4 | Confident | 68.9 | Low | 98 Ų | 98 | 130.5 Ų | 130.5 | 46% | 0.458 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.9 | -31 | 178.1 | -161.5 | 175.9 | 117.3 | 0 | 0 | 113.4 | V524 Q525 R526 | V524-Q528 VanDerWaalsContact O-CB 3.27Å; V524-Q528 WeakPolarHBondContact O-CB 3.45Å; V524-Q528 PolarHBondContact O-N 3.35Å; Q525-Q528 PolarHBondContact O-N 3.3Å; R526-Q528 VanDerWaalsContact C-N 3.34Å; R526-Q528 PolarHBondContact O-N 3.31Å |
| 529 | R | 69.3 | Low | 66.7 | Low | 158 Ų | 158 | 134 Ų | 134 | 60% | 0.596 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.3 | -39.2 | 168.4 | -73.4 | 175.5 | -168.3 | -141 | 8.6 | 111.1 | Q525 R526 R532 | Q525-R529 WeakPolarHBondContact O-CB 3.32Å; Q525-R529 VanDerWaalsContact O-CG 3.24Å; Q525-R529 WeakPolarHBondContact O-CG 3.39Å; Q525-R529 PolarHBondContact O-N 2.9Å; R526-R529 PolarHBondContact O-N 2.95Å; R529-R532 PolarHBondContact O-N 2.94Å |
| 530 | G | 65.3 | Low | 64.3 | Low | 47 Ų | 47 | 138.2 Ų | 138.2 | 49% | 0.485 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -55.6 | -51.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R526 H527 R532 R533 | R526-G530 PolarHBondContact O-N 3.49Å; H527-G530 PolarHBondContact O-N 3.47Å; G530-R532 PolarHBondContact O-N 3.37Å; G530-R533 PolarHBondContact O-N 2.89Å |
| 531 | R | 61.1 | Low | 62.1 | Low | 192 Ų | 192 | 144.6 Ų | 144.6 | 73% | 0.725 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -18.5 | 175.3 | -75.3 | -158.1 | -175.9 | -134.2 | 6.7 | 114.8 | H527 | H527-R531 PolarHBondContact O-N 3.47Š|
| 532 | R | 55.8 | Low | 59.7 | Low | 194 Ų | 194 | 150.9 Ų | 150.9 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -1.6 | -178.3 | -79.1 | -177.9 | 159.6 | -159.9 | -9.9 | 114.6 | R529 G530 | R529-R532 PolarHBondContact O-N 2.94Å; G530-R532 PolarHBondContact O-N 3.37Å |
| 533 | R | 51.4 | Low | 57.3 | Low | 222 Ų | 222 | 159.9 Ų | 159.9 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -100.2 | 11.8 | 179.7 | -76.4 | -167 | 169.5 | -158.6 | -2 | 115.4 | G530 | G530-R533 PolarHBondContact O-N 2.89Š| ||
| 534 | M | 40 | Very low | 54.8 | Low | 158 Ų | 158 | 157.5 Ų | 157.5 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -80.7 | 121.7 | 173 | -60 | -60 | -78.6 | 0 | 0 | 110.7 | H536 | M534-H536 PolarHBondContact O-N 3.03Š|
| 535 | P | 42.6 | Very low | 52.1 | Low | 120 Ų | 120 | 162.5 Ų | 162.5 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -76.4 | 111.2 | -175.5 | 29.1 | -34 | 0 | 0 | 0 | 112.3 | R537 | P535-R537 PolarHBondContact O-N 2.89Å; P535-R537 VanDerWaalsContact O-N 3.1Å | ||
| 536 | H | 45.8 | Very low | 49.9 | Very low | 184 Ų | 184 | 165.6 Ų | 165.6 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | -84.5 | 79.5 | -176.4 | -163.4 | -69 | 0 | 0 | 0 | 112.5 | M534 | M534-H536 PolarHBondContact O-N 3.03Š| ||
| 537 | R | 41.1 | Very low | 47.5 | Very low | 240 Ų | 240 | 168.6 Ų | 168.6 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -123.8 | 156 | 172.1 | -107.8 | -175.5 | 172.8 | -172.5 | -1.9 | 112.1 | P535 | P535-R537 PolarHBondContact O-N 2.89Å; P535-R537 VanDerWaalsContact O-N 3.1Å | ||
| 538 | A | 41 | Very low | 45.6 | Very low | 104 Ų | 104 | 173.1 Ų | 173.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 73.2 | 64.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 539 | Q | 41.2 | Very low | 43.4 | Very low | 188 Ų | 188 | 178.1 Ų | 178.1 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -139.9 | 45.1 | 151.5 | -153.4 | -176.5 | 4.5 | 0 | 0 | 113.6 | ||||
| 540 | E | 39.5 | Very low | 41.7 | Very low | 186 Ų | 186 | 176 Ų | 176 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -139.1 | 71.8 | 174.9 | -167.7 | 174.2 | -143.8 | 0 | 0 | 111.9 | ||||
| 541 | R | 40.9 | Very low | 40.8 | Very low | 249 Ų | 249 | 179.2 Ų | 179.2 | 94% | 0.94 | 84% | 0.839 | S | S | * | * | trans | -174.6 | 79 | 163 | -109.3 | 161 | -175.8 | -111.4 | 0.1 | 112.9 | ||||
| 542 | Q | 39.3 | Very low | 40.3 | Very low | 200 Ų | 200 | 174.9 Ų | 174.9 | 94% | 0.935 | 84% | 0.836 | S | S | * | * | trans | -175.6 | 92.6 | 150.1 | -108.4 | 174 | 7.4 | 0 | 0 | 111 | ||||
| 543 | K | 35.6 | Very low | 39.2 | Very low | 214 Ų | 214 | 171.9 Ų | 171.9 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | trans | -158.7 | 72.8 | 170.2 | -117.1 | -179.4 | -174.5 | 179.2 | 0 | 111.9 | ||||
| 544 | S | 31.8 | Very low | 38.4 | Very low | 101 Ų | 101 | 170.5 Ų | 170.5 | 71% | 0.706 | 84% | 0.839 | S | S | * | * | trans | -162.8 | 145.8 | 170.4 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 545 | Q | 34.8 | Very low | 38.4 | Very low | 180 Ų | 180 | 168 Ų | 168 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | trans | 64.5 | 128.7 | -170.6 | -36.6 | -56.1 | -2.5 | 0 | 0 | 112.2 | ||||
| 546 | L | 32.8 | Very low | 37.8 | Very low | 173 Ų | 173 | 168.5 Ų | 168.5 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | cis | -142.9 | 150.7 | 33.7 | -173.8 | 68.2 | 0 | 0 | 0 | 111.7 | ||||
| 547 | R | 33.8 | Very low | 37.5 | Very low | 234 Ų | 234 | 165.5 Ų | 165.5 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -146.9 | 121.2 | 175.4 | -173.5 | -170.7 | -171.6 | -144.8 | 4.5 | 112.4 | ||||
| 548 | K | 34.8 | Very low | 37.1 | Very low | 194 Ų | 194 | 160.3 Ų | 160.3 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | 156.9 | 152.1 | 163.1 | -87.2 | 147.3 | -172.9 | 179.5 | 0 | 107.3 | ||||
| 549 | K | 33.4 | Very low | 36.9 | Very low | 203 Ų | 203 | 163.9 Ų | 163.9 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | cis | -165.2 | 143.1 | -26.5 | -110.7 | -172.9 | 178.3 | -172.5 | 0 | 105.6 | ||||
| 550 | S | 34.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 160.3 Ų | 160.3 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -94.3 | 165.2 | 172.9 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 551 | P | 46.3 | Very low | 36.9 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | -155.4 | -156.1 | 97.2 | 42.2 | -21.6 | 0 | 0 | 0 | 113.1 | |||||
| 552 | P | 49.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | cis | -134.5 | 151.3 | -38 | 23.3 | -1.5 | 0 | 0 | 0 | 117.1 | ||||
| 553 | V | 33.3 | Very low | 37 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 70.7 | 150.1 | 136.9 | 176.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 554 | K | 34.6 | Very low | 37.2 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | cis | -139.7 | -166.4 | 23 | -131.6 | 148.8 | -175 | -177 | 0 | 110.8 | ||||
| 555 | P | 40.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | trans | -140.4 | -171.6 | -130.5 | 33.7 | -5.7 | 0 | 0 | 0 | 118.9 | ||||
| 556 | V | 29.7 | Very low | 37.5 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 77 | 144.4 | 159.7 | -168.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 557 | P | 40.4 | Very low | 38 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -120.2 | 177.4 | -19.5 | 34.3 | -17.1 | 0 | 0 | 0 | 115.3 | ||||
| 558 | T | 31.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -71.7 | 142.7 | -177.4 | -38.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 559 | Q | 37.1 | Very low | 38.5 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -124.2 | 149.7 | 137 | -79.7 | -161.9 | 10.6 | 0 | 0 | 109.2 | ||||
| 560 | P | 40.5 | Very low | 39.4 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 128.8 | -176.1 | 29.9 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 561 | P | 40.7 | Very low | 39.8 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.2 | 168.8 | 28.7 | -31.3 | 0 | 0 | 0 | 110.3 | ||
| 562 | G | 37.5 | Very low | 39.8 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 156.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 563 | P | 43.9 | Very low | 39.6 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.8 | 177.8 | 27.8 | -34.6 | 0 | 0 | 0 | 110.6 | E565 | P563-E565 PolarHBondContact O-N 3.38Š|
| 564 | P | 40.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.5 | -177.5 | 26.3 | -34.5 | 0 | 0 | 0 | 111.4 | R566 | P564-R566 PolarHBondContact O-N 3.3Š|
| 565 | E | 37.3 | Very low | 40.7 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125.7 | 173.1 | -170.6 | 164 | -160.5 | 0 | 0 | 109.9 | P563 | P563-E565 PolarHBondContact O-N 3.38Š|
| 566 | R | 36.3 | Very low | 40.6 | Very low | 226 Ų | 226 | 132.3 Ų | 132.3 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 119 | 177.3 | -72.1 | -177.7 | 174.9 | -179.7 | -1.7 | 108.7 | P564 P568 | P564-R566 PolarHBondContact O-N 3.3Å; R566-P568 WeakPolarHBondContact O-CD 3.37Å; R566-P568 VanDerWaalsContact O-N 3.11Å |
| 567 | D | 43 | Very low | 41.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -49 | 112 | 172.5 | -70.1 | -63 | 0 | 0 | 0 | 111.8 | V569 | D567-V569 VanDerWaalsContact C-N 3.33Å; D567-V569 PolarHBondContact O-N 3.06Å | ||
| 568 | P | 41.2 | Very low | 41.6 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 51% | 0.506 | 72% | 0.716 | S | S | . | * | trans | -87.9 | 72.3 | -178.6 | 34.7 | -31.9 | 0 | 0 | 0 | 110.3 | R566 G570 | R566-P568 WeakPolarHBondContact O-CD 3.37Å; R566-P568 VanDerWaalsContact O-N 3.11Å; P568-G570 PolarHBondContact O-N 3.45Å; P568-G570 VanDerWaalsContact O-N 3.11Å | ||
| 569 | V | 37.4 | Very low | 42.2 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 115 | 178.8 | 179 | 0 | 0 | 0 | 0 | 110.8 | D567 | D567-V569 VanDerWaalsContact C-N 3.33Å; D567-V569 PolarHBondContact O-N 3.06Å |
| 570 | G | 51.9 | Low | 42.7 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.1 | 21.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | P568 | P568-G570 PolarHBondContact O-N 3.45Å; P568-G570 VanDerWaalsContact O-N 3.11Å |
| 571 | Q | 42.9 | Very low | 43.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 55% | 0.551 | 71% | 0.706 | S | S | * | * | trans | -92 | 133 | 169.8 | -164.2 | 163.6 | 47.9 | 0 | 0 | 110.8 | Q573 S669 | Q571-Q573 PolarHBondContact O-N 2.76Å; Q571-S669 PolarHBondContact NE2-O 2.8Å; Q571-S669 VanDerWaalsContact NE2-O 3.07Å | ||
| 572 | L | 46.2 | Very low | 44.5 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 48% | 0.482 | 68% | 0.679 | S | S | . | * | trans | -59.7 | 108.4 | 172.6 | -174.5 | 76.9 | 0 | 0 | 0 | 108.9 | L574 | L572-L574 VanDerWaalsContact C-N 3.26Å; L572-L574 PolarHBondContact O-N 2.66Å | ||
| 573 | Q | 44.7 | Very low | 46.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 59% | 0.593 | 67% | 0.672 | S | S | * | * | trans | -74.3 | 74.8 | -175.5 | -73.3 | -159.3 | 10.2 | 0 | 0 | 112.6 | Q571 Y575 | Q571-Q573 PolarHBondContact O-N 2.76Å; Q573-Y575 PolarHBondContact O-N 2.77Å | ||
| 574 | L | 51.1 | Low | 47.8 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 71% | 0.707 | 67% | 0.669 | S | S | * | * | trans | -71.1 | 73.6 | 160.3 | -99.3 | 164.5 | 0 | 0 | 0 | 109.5 | L572 | L572-L574 VanDerWaalsContact C-N 3.26Å; L572-L574 PolarHBondContact O-N 2.66Å | ||
| 575 | Y | 41.4 | Very low | 49.8 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | trans | -141.3 | 125.1 | -173.4 | -137.9 | -131 | 0 | 0 | 0 | 116 | Q573 | Q573-Y575 PolarHBondContact O-N 2.77Š| ||
| 576 | R | 38.5 | Very low | 51.9 | Low | 182 Ų | 182 | 118.8 Ų | 118.8 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | trans | 45.2 | 111.7 | 134.6 | -171.9 | 171.5 | -67.3 | 173.3 | 2.7 | 118 | P578 | R576-P578 WeakPolarHBondContact O-CD 3.5Š| ||
| 577 | H | 44.4 | Very low | 54.2 | Low | 166 Ų | 166 | 113.6 Ų | 113.6 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | trans | -28.9 | 112.7 | 168.4 | -74.2 | -67.8 | 0 | 0 | 0 | 115.3 | Q582 | H577-Q582 PolarHBondContact ND1-OE1 3.23Š| ||
| 578 | P | 44.8 | Very low | 56.1 | Low | 84 Ų | 84 | 110.4 Ų | 110.4 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | trans | -69.7 | 147.4 | 153.1 | -12.6 | 29.9 | 0 | 0 | 0 | 109.8 | R576 | R576-P578 WeakPolarHBondContact O-CD 3.5Š| ||
| 579 | G | 44 | Very low | 58.2 | Low | 63 Ų | 63 | 107.2 Ų | 107.2 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | trans | -84.6 | 142.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S581 | G579-S581 VanDerWaalsContact C-N 3.27Å; G579-S581 PolarHBondContact O-N 3.45Å | ||
| 580 | R | 48.1 | Very low | 60.5 | Low | 250 Ų | 250 | 106.6 Ų | 106.6 | 94% | 0.943 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 60.5 | -26.2 | 159.8 | -69.7 | -170.2 | 172.7 | -143.1 | -2.3 | 120.6 | P583 | R580-P583 WeakPolarHBondContact O-CD 3.35Š|
| 581 | S | 54.2 | Low | 62.1 | Low | 82 Ų | 82 | 105.7 Ų | 105.7 | 57% | 0.573 | 54% | 0.535 | S | S | * | . | trans | -91.5 | -1.7 | 178.6 | 57.8 | 0 | 0 | 0 | 0 | 114.9 | G579 P583 | G579-S581 VanDerWaalsContact C-N 3.27Å; G579-S581 PolarHBondContact O-N 3.45Å; S581-P583 VanDerWaalsContact C-CD 3.49Å | ||
| 582 | Q | 64.6 | Low | 64.2 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 22% | 0.224 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 178.7 | -65.9 | -158.8 | -64.8 | 0 | 0 | 116.2 | H577 F585 L586 | H577-Q582 PolarHBondContact ND1-OE1 3.23Å; Q582-F585 PolarHBondContact O-N 2.87Å; Q582-L586 VanDerWaalsContact O-CG 3.29Å; Q582-L586 WeakPolarHBondContact O-CG 3.39Å; Q582-L586 PolarHBondContact O-N 3.41Å |
| 583 | P | 72.3 | Confident | 66.1 | Low | 75 Ų | 75 | 106.8 Ų | 106.8 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | -171.6 | 23.9 | -32 | 0 | 0 | 0 | 112.1 | R580 S581 F585 L586 D587 | R580-P583 WeakPolarHBondContact O-CD 3.35Å; S581-P583 VanDerWaalsContact C-CD 3.49Å; P583-F585 PolarHBondContact O-N 3.22Å; P583-L586 CarbonylContact O-C 3.54Å; P583-L586 WeakPolarHBondContact O-CA 3.31Å; P583-L586 PolarHBondContact O-N 3.36Å; P583-D587 PolarHBondContact O-N 3.23Å |
| 584 | E | 77.9 | Confident | 68.1 | Low | 156 Ų | 156 | 102.9 Ų | 102.9 | 73% | 0.729 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -54.2 | -38.4 | 178.1 | -174.7 | 170.8 | -145.7 | 0 | 0 | 112.9 | A588 | E584-A588 VanDerWaalsContact O-CB 3.23Å; E584-A588 WeakPolarHBondContact O-CB 3.23Å; E584-A588 PolarHBondContact O-N 2.95Å |
| 585 | F | 82.6 | Confident | 70 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 25% | 0.254 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | 173.4 | 176.6 | -99.9 | 0 | 0 | 0 | 113.5 | Q582 P583 D587 A588 I589 V599 F601 L606 | Q582-F585 PolarHBondContact O-N 2.87Å; P583-F585 PolarHBondContact O-N 3.22Å; F585-D587 VanDerWaalsContact C-N 3.34Å; F585-A588 PolarHBondContact O-N 2.97Å; F585-I589 HydrophobicContact CE1-CD1 3.97Å; F585-I589 HydrophobicContact CE1-CG2 4.28Å; F585-I589 HydrophobicContact CE2-CG2 3.89Å; F585-I589 HydrophobicContact CZ-CD1 4.34Å; F585-I589 HydrophobicContact CZ-CG2 3.7Å; F585-I589 PolarHBondContact O-N 2.98Å; F585-V599 HydrophobicContact CE1-CG1 4.2Å; F585-V599 HydrophobicContact CE1-CG2 4.28Å; F585-V599 HydrophobicContact CZ-CG1 3.74Å; F585-V599 HydrophobicContact CZ-CG2 4.36Å; F585-F601 HydrophobicContact CE1-CZ 4.37Å; F585-F601 HydrophobicContact CE2-CZ 4.11Å; F585-F601 AromaticContact CZ-CZ 3.85Å; F585-F601 HydrophobicContact CZ-CZ 3.85Å; F585-L606 HydrophobicContact CE1-CD2 4.23Å |
| 586 | L | 82.8 | Confident | 72.4 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 16% | 0.157 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 176.9 | -68 | -176.4 | 0 | 0 | 0 | 112 | Q582 P583 I589 R591 L608 | Q582-L586 VanDerWaalsContact O-CG 3.29Å; Q582-L586 WeakPolarHBondContact O-CG 3.39Å; Q582-L586 PolarHBondContact O-N 3.41Å; P583-L586 CarbonylContact O-C 3.54Å; P583-L586 WeakPolarHBondContact O-CA 3.31Å; P583-L586 PolarHBondContact O-N 3.36Å; L586-I589 HydrophobicContact CD2-CD1 4.17Å; L586-I589 WeakPolarHBondContact O-CG1 3.5Å; L586-R591 HydrophobicContact CB-CB 4.3Å; L586-R591 HydrophobicContact CD2-CG 4.49Å; L586-R591 WeakPolarHBondContact O-CB 3.42Å; L586-R591 PolarHBondContact O-N 3.35Å; L586-R591 VanDerWaalsContact O-N 3.14Å; L586-L608 HydrophobicContact CD2-CD1 3.34Å; L586-L608 HydrophobicContact CD2-CD2 4.2Å; L586-L608 HydrophobicContact CD2-CG 4.42Å |
| 587 | D | 83.4 | Confident | 75 | Confident | 117 Ų | 117 | 83.9 Ų | 83.9 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.6 | -42 | 173.8 | -59.2 | -26.3 | 0 | 0 | 0 | 109.8 | P583 F585 I589 D590 | P583-D587 PolarHBondContact O-N 3.23Å; F585-D587 VanDerWaalsContact C-N 3.34Å; D587-I589 PolarHBondContact O-N 3.41Å; D587-D590 PolarHBondContact O-N 2.88Å |
| 588 | A | 83.3 | Confident | 77.2 | Confident | 81 Ų | 81 | 77.3 Ų | 77.3 | 67% | 0.669 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.8 | -11.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E584 F585 | E584-A588 VanDerWaalsContact O-CB 3.23Å; E584-A588 WeakPolarHBondContact O-CB 3.23Å; E584-A588 PolarHBondContact O-N 2.95Å; F585-A588 PolarHBondContact O-N 2.97Å |
| 589 | I | 84.9 | Confident | 79.4 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 15.6 | 171.4 | 67.2 | 175.2 | 0 | 0 | 0 | 112.9 | F585 L586 D587 R591 Y597 V599 L608 | F585-I589 HydrophobicContact CE1-CD1 3.97Å; F585-I589 HydrophobicContact CE1-CG2 4.28Å; F585-I589 HydrophobicContact CE2-CG2 3.89Å; F585-I589 HydrophobicContact CZ-CD1 4.34Å; F585-I589 HydrophobicContact CZ-CG2 3.7Å; F585-I589 PolarHBondContact O-N 2.98Å; L586-I589 HydrophobicContact CD2-CD1 4.17Å; L586-I589 WeakPolarHBondContact O-CG1 3.5Å; D587-I589 PolarHBondContact O-N 3.41Å; I589-R591 VanDerWaalsContact C-N 3.28Å; I589-R591 HydrophobicContact CD1-CB 4.48Å; I589-R591 HydrophobicContact CG1-CB 4.1Å; I589-R591 PolarHBondContact O-N 2.89Å; I589-Y597 HydrophobicContact CD1-CD1 4.04Å; I589-Y597 HydrophobicContact CD1-CE1 4.38Å; I589-V599 HydrophobicContact CD1-CG2 4.18Å; I589-L608 HydrophobicContact CD1-CD1 4.02Å |
| 590 | D | 85.5 | Confident | 81.6 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 69% | 0.69 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 50.2 | -176.6 | -79.8 | -52.2 | 0 | 0 | 0 | 112.2 | D587 R592 Y597 | D587-D590 PolarHBondContact O-N 2.88Å; D590-R592 PolarHBondContact O-N 3.34Å; D590-Y597 PolarHBondContact O-OH 3.23Å; D590-Y597 VanDerWaalsContact O-OH 3.04Å |
| 591 | R | 85.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | trans | -64.4 | 102.2 | -167.2 | -171.5 | -137.7 | 163.1 | 133.5 | 1.7 | 113 | L586 I589 Y597 P609 | L586-R591 HydrophobicContact CB-CB 4.3Å; L586-R591 HydrophobicContact CD2-CG 4.49Å; L586-R591 WeakPolarHBondContact O-CB 3.42Å; L586-R591 PolarHBondContact O-N 3.35Å; L586-R591 VanDerWaalsContact O-N 3.14Å; I589-R591 VanDerWaalsContact C-N 3.28Å; I589-R591 HydrophobicContact CD1-CB 4.48Å; I589-R591 HydrophobicContact CG1-CB 4.1Å; I589-R591 PolarHBondContact O-N 2.89Å; R591-Y597 WeakPolarHBondContact CA-OH 3.03Å; R591-Y597 HydrophobicContact CG-CD2 4.16Å; R591-Y597 HydrophobicContact CG-CE2 3.9Å; R591-P609 PolarHBondContact NH2-O 3.14Å | ||
| 592 | R | 87.4 | Confident | 84.2 | Confident | 114 Ų | 114 | 69.5 Ų | 69.5 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | trans | -69.4 | 147.5 | 171.3 | -52.1 | 177.6 | -167 | -77 | 1.7 | 111.5 | D590 D594 Y597 E650 | D590-R592 PolarHBondContact O-N 3.34Å; R592-D594 WeakPolarHBondContact CB-OD1 3.49Å; R592-Y597 PolarHBondContact N-OH 3.38Å; R592-E650 IonicContact NE-OE1 2.77Å; R592-E650 PolarHBondContact NE-OE1 3.45Å; R592-E650 IonicContact NE-OE2 3.48Å; R592-E650 IonicContact NH2-OE1 3.3Å; R592-E650 IonicContact NH2-OE2 3.65Å | ||
| 593 | E | 85.9 | Confident | 84.6 | Confident | 119 Ų | 119 | 77.7 Ų | 77.7 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -26.9 | 176.8 | -63.9 | -171.4 | 167.4 | 0 | 0 | 113.9 | T595 A610 I611 S612 | E593-T595 VanDerWaalsContact C-N 3.32Å; E593-A610 CarbonylContact O-C 3.59Å; E593-A610 WeakPolarHBondContact O-CA 3.13Å; E593-I611 PolarHBondContact O-N 2.94Å; E593-S612 WeakPolarHBondContact CB-OG 3.2Å; E593-S612 PolarHBondContact O-N 3.23Å; E593-S612 VanDerWaalsContact O-N 3.14Å; E593-S612 PolarHBondContact O-OG 3.47Å |
| 594 | D | 87.9 | Confident | 85 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1 | -173.9 | 74.1 | -20.7 | 0 | 0 | 0 | 114 | R592 S612 K620 | R592-D594 WeakPolarHBondContact CB-OD1 3.49Å; D594-S612 PolarHBondContact N-OG 2.86Å; D594-K620 IonicContact OD1-NZ 3.76Å; D594-K620 WeakPolarHBondContact OD2-CE 3.34Å; D594-K620 IonicContact OD2-NZ 3.95Å; D594-K620 PolarHBondContact OD2-NZ 2.73Å |
| 595 | T | 91.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.5 | -166.9 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | E593 Y597 K620 | E593-T595 VanDerWaalsContact C-N 3.32Å; T595-Y597 HydrophobicContact CG2-CD2 4.02Å; T595-Y597 HydrophobicContact CG2-CE2 3.63Å; T595-Y597 WeakPolarHBondContact O-CD2 3.47Å; T595-K620 HydrophobicContact CG2-CB 3.97Å; T595-K620 VanDerWaalsContact OG1-CB 3.32Å; T595-K620 WeakPolarHBondContact OG1-CB 3.46Å; T595-K620 WeakPolarHBondContact OG1-CD 3.4Å |
| 596 | F | 91.1 | Very high | 85.6 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 32% | 0.316 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.6 | 174.5 | -176.3 | -90.6 | 0 | 0 | 0 | 109.8 | V598 L607 K620 M621 S622 | F596-V598 HydrophobicContact CD1-CG2 4Å; F596-V598 HydrophobicContact CE1-CG2 3.62Å; F596-L607 HydrophobicContact CE1-CD2 4.33Å; F596-L607 HydrophobicContact CZ-CB 4.39Å; F596-L607 HydrophobicContact CZ-CD2 4.32Å; F596-K620 PolarHBondContact N-O 3.05Å; F596-M621 HydrophobicContact CD1-CG 4.16Å; F596-M621 HydrophobicContact CD1-SD 4.23Å; F596-M621 CarbonylContact O-C 3.59Å; F596-M621 VanDerWaalsContact O-CA 3.22Å; F596-M621 WeakPolarHBondContact O-CA 3.28Å; F596-M621 WeakPolarHBondContact O-CG 3.33Å; F596-S622 PolarHBondContact O-N 3.22Å |
| 597 | Y | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.3 | 179.9 | -66 | -116 | 0 | 0 | 0 | 111.6 | I589 D590 R591 R592 T595 L608 S622 V624 | I589-Y597 HydrophobicContact CD1-CD1 4.04Å; I589-Y597 HydrophobicContact CD1-CE1 4.38Å; D590-Y597 PolarHBondContact O-OH 3.23Å; D590-Y597 VanDerWaalsContact O-OH 3.04Å; R591-Y597 WeakPolarHBondContact CA-OH 3.03Å; R591-Y597 HydrophobicContact CG-CD2 4.16Å; R591-Y597 HydrophobicContact CG-CE2 3.9Å; R592-Y597 PolarHBondContact N-OH 3.38Å; T595-Y597 HydrophobicContact CG2-CD2 4.02Å; T595-Y597 HydrophobicContact CG2-CE2 3.63Å; T595-Y597 WeakPolarHBondContact O-CD2 3.47Å; Y597-L608 PolarHBondContact N-O 3.32Å; Y597-L608 PolarHBondContact O-N 2.91Å; Y597-S622 CarbonylContact C-O 3.49Å; Y597-S622 WeakPolarHBondContact CA-O 3.26Å; Y597-V624 HydrophobicContact CD1-CG2 4.13Å |
| 598 | V | 92.1 | Very high | 86.2 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 99.6 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | F596 L607 M621 S622 L623 V624 | F596-V598 HydrophobicContact CD1-CG2 4Å; F596-V598 HydrophobicContact CE1-CG2 3.62Å; V598-L607 HydrophobicContact CB-CD2 4.31Å; V598-L607 HydrophobicContact CG1-CD2 4.02Å; V598-L607 HydrophobicContact CG2-CD2 3.89Å; V598-M621 HydrophobicContact CG2-SD 4.46Å; V598-S622 PolarHBondContact N-O 3.4Å; V598-L623 HydrophobicContact CB-CD1 4Å; V598-L623 HydrophobicContact CG1-CD1 3.9Å; V598-V624 PolarHBondContact O-N 3.23Å |
| 599 | V | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.2 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | F585 I589 F601 H605 L606 L608 V624 M646 | F585-V599 HydrophobicContact CE1-CG1 4.2Å; F585-V599 HydrophobicContact CE1-CG2 4.28Å; F585-V599 HydrophobicContact CZ-CG1 3.74Å; F585-V599 HydrophobicContact CZ-CG2 4.36Å; I589-V599 HydrophobicContact CD1-CG2 4.18Å; V599-F601 HydrophobicContact CB-CE2 4.48Å; V599-F601 HydrophobicContact CG1-CD2 4.19Å; V599-F601 HydrophobicContact CG1-CE1 4.29Å; V599-F601 HydrophobicContact CG1-CE2 3.54Å; V599-F601 HydrophobicContact CG1-CZ 3.6Å; V599-H605 CarbonylContact O-C 3.56Å; V599-H605 WeakPolarHBondContact O-CA 3.13Å; V599-L606 HydrophobicContact CB-CB 4.17Å; V599-L606 PolarHBondContact N-O 3.05Å; V599-L606 PolarHBondContact O-N 2.88Å; V599-L608 HydrophobicContact CG2-CD1 4.35Å; V599-V624 CarbonylContact C-O 3.5Å; V599-V624 WeakPolarHBondContact CA-O 3.43Å; V599-V624 HydrophobicContact CG1-CB 4.43Å; V599-V624 HydrophobicContact CG2-CB 4.19Å; V599-V624 HydrophobicContact CG2-CG2 4.45Å; V599-M646 HydrophobicContact CG1-CE 4.48Å |
| 600 | S | 89.4 | Confident | 86.5 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 95.3 | -175.8 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | H605 V624 P626 | S600-H605 WeakPolarHBondContact CB-ND1 3.3Å; S600-H605 PolarHBondContact OG-ND1 3.27Å; S600-V624 PolarHBondContact N-O 2.56Å; S600-P626 WeakPolarHBondContact O-CD 3.32Å |
| 601 | F | 81.7 | Confident | 86.5 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | trans | -73.6 | 169.7 | 165.8 | -57.1 | -78.2 | 0 | 0 | 0 | 109.9 | F585 V599 R603 D604 L606 M646 | F585-F601 HydrophobicContact CE1-CZ 4.37Å; F585-F601 HydrophobicContact CE2-CZ 4.11Å; F585-F601 AromaticContact CZ-CZ 3.85Å; F585-F601 HydrophobicContact CZ-CZ 3.85Å; V599-F601 HydrophobicContact CB-CE2 4.48Å; V599-F601 HydrophobicContact CG1-CD2 4.19Å; V599-F601 HydrophobicContact CG1-CE1 4.29Å; V599-F601 HydrophobicContact CG1-CE2 3.54Å; V599-F601 HydrophobicContact CG1-CZ 3.6Å; F601-R603 PolarHBondContact O-N 2.81Å; F601-D604 PolarHBondContact N-O 2.98Å; F601-D604 PolarHBondContact O-N 3.36Å; F601-L606 HydrophobicContact CE2-CB 4.46Å; F601-M646 HydrophobicContact CD1-CE 4.42Å; F601-M646 HydrophobicContact CE1-CE 4.21Å | ||
| 602 | R | 76.6 | Confident | 86.3 | Confident | 224 Ų | 224 | 72 Ų | 72 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -48.3 | -23.9 | -168.8 | -65.8 | 177.6 | -69.9 | 173.2 | -3.7 | 116.9 | ||
| 603 | R | 72.1 | Confident | 85.8 | Confident | 220 Ų | 220 | 73.8 Ų | 73.8 | 83% | 0.83 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -141.5 | -4 | 171.9 | -64.8 | -173.6 | -179.4 | 141.9 | 4.5 | 114.4 | F601 | F601-R603 PolarHBondContact O-N 2.81Š|
| 604 | D | 81.5 | Confident | 85.4 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | trans | -130.3 | 126.2 | -161.1 | -54 | -63.8 | 0 | 0 | 0 | 109.7 | F601 | F601-D604 PolarHBondContact N-O 2.98Å; F601-D604 PolarHBondContact O-N 3.36Å | ||
| 605 | H | 85.8 | Confident | 84.9 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.6 | -174.8 | -55.7 | -78.5 | 0 | 0 | 0 | 110.8 | V599 S600 | V599-H605 CarbonylContact O-C 3.56Å; V599-H605 WeakPolarHBondContact O-CA 3.13Å; S600-H605 WeakPolarHBondContact CB-ND1 3.3Å; S600-H605 PolarHBondContact OG-ND1 3.27Å |
| 606 | L | 87.4 | Confident | 84.3 | Confident | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.6 | 172.9 | 169.5 | 64.8 | 0 | 0 | 0 | 109.4 | F585 V599 F601 L608 | F585-L606 HydrophobicContact CE1-CD2 4.23Å; V599-L606 HydrophobicContact CB-CB 4.17Å; V599-L606 PolarHBondContact N-O 3.05Å; V599-L606 PolarHBondContact O-N 2.88Å; F601-L606 HydrophobicContact CE2-CB 4.46Å; L606-L608 HydrophobicContact CD1-CD2 3.86Å; L606-L608 HydrophobicContact CD2-CD2 4.19Å; L606-L608 HydrophobicContact CG-CD2 3.93Å; L606-L608 HydrophobicContact CG-CG 4.19Å |
| 607 | L | 89.9 | Confident | 83.9 | Confident | 64 Ų | 64 | 83.9 Ų | 83.9 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.2 | 176.6 | -59.9 | 177.5 | 0 | 0 | 0 | 110 | F596 V598 | F596-L607 HydrophobicContact CE1-CD2 4.33Å; F596-L607 HydrophobicContact CZ-CB 4.39Å; F596-L607 HydrophobicContact CZ-CD2 4.32Å; V598-L607 HydrophobicContact CB-CD2 4.31Å; V598-L607 HydrophobicContact CG1-CD2 4.02Å; V598-L607 HydrophobicContact CG2-CD2 3.89Å |
| 608 | L | 88.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 90.4 Ų | 90.4 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 108.4 | 177.6 | -53.5 | 172.3 | 0 | 0 | 0 | 109.1 | L586 I589 Y597 V599 L606 | L586-L608 HydrophobicContact CD2-CD1 3.34Å; L586-L608 HydrophobicContact CD2-CD2 4.2Å; L586-L608 HydrophobicContact CD2-CG 4.42Å; I589-L608 HydrophobicContact CD1-CD1 4.02Å; Y597-L608 PolarHBondContact N-O 3.32Å; Y597-L608 PolarHBondContact O-N 2.91Å; V599-L608 HydrophobicContact CG2-CD1 4.35Å; L606-L608 HydrophobicContact CD1-CD2 3.86Å; L606-L608 HydrophobicContact CD2-CD2 4.19Å; L606-L608 HydrophobicContact CG-CD2 3.93Å; L606-L608 HydrophobicContact CG-CG 4.19Å |
| 609 | P | 87.9 | Confident | 83.3 | Confident | 82 Ų | 82 | 92.2 Ų | 92.2 | 53% | 0.532 | 46% | 0.456 | S | S | . | . | trans | -68.3 | 143.4 | 178.7 | 28.4 | -34 | 0 | 0 | 0 | 111.1 | R591 I611 | R591-P609 PolarHBondContact NH2-O 3.14Å; P609-I611 PolarHBondContact O-N 3.07Å | ||
| 610 | A | 86.8 | Confident | 83.3 | Confident | 41 Ų | 41 | 95.5 Ų | 95.5 | 34% | 0.339 | 47% | 0.47 | S | S | . | . | trans | -56.3 | 134.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | E593 | E593-A610 CarbonylContact O-C 3.59Å; E593-A610 WeakPolarHBondContact O-CA 3.13Å | ||
| 611 | I | 83.8 | Confident | 83.3 | Confident | 114 Ų | 114 | 98 Ų | 98 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -92.2 | -42.2 | -177.5 | -61.2 | 173 | 0 | 0 | 0 | 109.3 | E593 P609 | E593-I611 PolarHBondContact O-N 2.94Å; P609-I611 PolarHBondContact O-N 3.07Å |
| 612 | S | 82.3 | Confident | 83.9 | Confident | 47 Ų | 47 | 94.7 Ų | 94.7 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | trans | -96.1 | 142.5 | 169.6 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | E593 D594 | E593-S612 WeakPolarHBondContact CB-OG 3.2Å; E593-S612 PolarHBondContact O-N 3.23Å; E593-S612 VanDerWaalsContact O-N 3.14Å; E593-S612 PolarHBondContact O-OG 3.47Å; D594-S612 PolarHBondContact N-OG 2.86Å | ||
| 613 | H | 77.4 | Confident | 84.7 | Confident | 150 Ų | 150 | 87 Ų | 87 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | trans | -125.9 | 98.4 | 175.2 | 63.3 | -84 | 0 | 0 | 0 | 108.8 | ||||
| 614 | N | 77.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 76.5 Ų | 76.5 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | trans | -73.2 | 139.4 | 172.5 | -174.5 | 15.4 | 0 | 0 | 0 | 109.9 | T616 S617 | N614-T616 PolarHBondContact ND2-OG1 2.9Å; N614-T616 PolarHBondContact OD1-N 3.38Å; N614-T616 VanDerWaalsContact OD1-N 3.07Å; N614-T616 PolarHBondContact OD1-OG1 2.89Å; N614-T616 VanDerWaalsContact OD1-OG1 3.08Å; N614-S617 WeakPolarHBondContact CB-OG 3.25Å; N614-S617 PolarHBondContact ND2-N 3.2Å; N614-S617 PolarHBondContact ND2-OG 2.93Å | ||
| 615 | K | 77.7 | Confident | 86 | Confident | 181 Ų | 181 | 75.3 Ų | 75.3 | 79% | 0.787 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -94.8 | -10.9 | 178.4 | -63.7 | 177 | -176.9 | 172.3 | 0 | 113.1 | ||
| 616 | T | 78.2 | Confident | 86.1 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -101 | -24.6 | -178.3 | 63.9 | 0 | 0 | 0 | 0 | 114 | N614 | N614-T616 PolarHBondContact ND2-OG1 2.9Å; N614-T616 PolarHBondContact OD1-N 3.38Å; N614-T616 VanDerWaalsContact OD1-N 3.07Å; N614-T616 PolarHBondContact OD1-OG1 2.89Å; N614-T616 VanDerWaalsContact OD1-OG1 3.08Å |
| 617 | S | 81.8 | Confident | 86 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -96.1 | 161.5 | 171.4 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | N614 | N614-S617 WeakPolarHBondContact CB-OG 3.25Å; N614-S617 PolarHBondContact ND2-N 3.2Å; N614-S617 PolarHBondContact ND2-OG 2.93Å |
| 618 | R | 84.1 | Confident | 85.2 | Confident | 137 Ų | 137 | 77.5 Ų | 77.5 | 52% | 0.517 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 147.9 | 169.6 | -61.5 | -177.1 | -173.4 | -80.5 | -1.9 | 109.7 | E652 | R618-E652 WeakPolarHBondContact CD-OE2 3.49Š|
| 619 | P | 88.3 | Confident | 83.9 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.5 | 171 | -17.3 | 31.1 | 0 | 0 | 0 | 110 | V653 T656 | P619-V653 HydrophobicContact CB-CB 4.32Å; P619-V653 WeakPolarHBondContact O-CB 3.49Å; P619-V653 PolarHBondContact O-N 3.33Å; P619-T656 HydrophobicContact CG-CG2 4.39Å |
| 620 | K | 89.9 | Confident | 82.3 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 30% | 0.3 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 149.2 | 177 | -64.5 | 174.3 | -172.3 | 162.6 | 0 | 110.9 | D594 T595 F596 | D594-K620 IonicContact OD1-NZ 3.76Å; D594-K620 WeakPolarHBondContact OD2-CE 3.34Å; D594-K620 IonicContact OD2-NZ 3.95Å; D594-K620 PolarHBondContact OD2-NZ 2.73Å; T595-K620 HydrophobicContact CG2-CB 3.97Å; T595-K620 VanDerWaalsContact OG1-CB 3.32Å; T595-K620 WeakPolarHBondContact OG1-CB 3.46Å; T595-K620 WeakPolarHBondContact OG1-CD 3.4Å; F596-K620 PolarHBondContact N-O 3.05Å |
| 621 | M | 91.1 | Very high | 80.8 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 36% | 0.36 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.3 | 172.7 | -177.7 | 168.9 | 67.9 | 0 | 0 | 109.8 | F596 V598 C651 V653 | F596-M621 HydrophobicContact CD1-CG 4.16Å; F596-M621 HydrophobicContact CD1-SD 4.23Å; F596-M621 CarbonylContact O-C 3.59Å; F596-M621 VanDerWaalsContact O-CA 3.22Å; F596-M621 WeakPolarHBondContact O-CA 3.28Å; F596-M621 WeakPolarHBondContact O-CG 3.33Å; V598-M621 HydrophobicContact CG2-SD 4.46Å; M621-C651 PolarHBondContact N-O 2.84Å; M621-C651 PolarHBondContact O-N 2.96Å; M621-V653 HydrophobicContact CB-CG2 3.69Å |
| 622 | S | 93.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.4 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | F596 Y597 V598 Q648 I649 | F596-S622 PolarHBondContact O-N 3.22Å; Y597-S622 CarbonylContact C-O 3.49Å; Y597-S622 WeakPolarHBondContact CA-O 3.26Å; V598-S622 PolarHBondContact N-O 3.4Å; S622-Q648 WeakPolarHBondContact OG-CG 3.44Å; S622-I649 WeakPolarHBondContact CA-O 3.22Å |
| 623 | L | 92.7 | Very high | 78.1 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 32% | 0.319 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.9 | 173.8 | 174.6 | 63.6 | 0 | 0 | 0 | 108.3 | V598 M625 Q648 I649 | V598-L623 HydrophobicContact CB-CD1 4Å; V598-L623 HydrophobicContact CG1-CD1 3.9Å; L623-M625 HydrophobicContact CD2-SD 4.46Å; L623-Q648 CarbonylContact O-C 3.58Å; L623-Q648 WeakPolarHBondContact O-CA 3.42Å; L623-I649 HydrophobicContact CB-CB 4.43Å; L623-I649 PolarHBondContact N-O 2.83Å; L623-I649 PolarHBondContact O-N 3.4Å |
| 624 | V | 91.7 | Very high | 76.9 | Confident | 1 Ų | 1 | 91 Ų | 91 | 1% | 0.006 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.3 | -179.7 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | Y597 V598 V599 S600 M646 M647 Q648 | Y597-V624 HydrophobicContact CD1-CG2 4.13Å; V598-V624 PolarHBondContact O-N 3.23Å; V599-V624 CarbonylContact C-O 3.5Å; V599-V624 WeakPolarHBondContact CA-O 3.43Å; V599-V624 HydrophobicContact CG1-CB 4.43Å; V599-V624 HydrophobicContact CG2-CB 4.19Å; V599-V624 HydrophobicContact CG2-CG2 4.45Å; S600-V624 PolarHBondContact N-O 2.56Å; V624-M646 HydrophobicContact CG1-CB 4.09Å; V624-M646 HydrophobicContact CG1-CE 3.94Å; V624-M647 WeakPolarHBondContact CA-O 3.36Å; V624-Q648 HydrophobicContact CG2-CB 4.31Å; V624-Q648 HydrophobicContact CG2-CG 4.18Å |
| 625 | M | 90.8 | Very high | 75.5 | Confident | 67 Ų | 67 | 90.5 Ų | 90.5 | 33% | 0.33 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 150 | -176.1 | 50.9 | 177.2 | -77.7 | 0 | 0 | 110.9 | L623 A627 M647 | L623-M625 HydrophobicContact CD2-SD 4.46Å; M625-A627 PolarHBondContact O-N 3.06Å; M625-M647 HydrophobicContact CE-CE 3.73Å; M625-M647 HydrophobicContact CG-CE 3.77Å; M625-M647 PolarHBondContact N-O 3.33Å; M625-M647 PolarHBondContact O-N 3.15Å; M625-M647 HydrophobicContact SD-CE 3.58Å; M625-M647 VanDerWaalsContact SD-CE 3.58Å |
| 626 | P | 87.5 | Confident | 74.3 | Confident | 34 Ų | 34 | 85.7 Ų | 85.7 | 22% | 0.221 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 128.4 | 178.1 | -29 | 34.7 | 0 | 0 | 0 | 112.6 | S600 E645 M646 | S600-P626 WeakPolarHBondContact O-CD 3.32Å; P626-E645 WeakPolarHBondContact CA-O 3.42Å; P626-M646 HydrophobicContact CB-SD 4.17Å; P626-M646 HydrophobicContact CG-CE 4.22Å; P626-M646 HydrophobicContact CG-SD 3.81Å |
| 627 | A | 83.7 | Confident | 73.2 | Confident | 39 Ų | 39 | 90.1 Ų | 90.1 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | trans | -73.9 | 138.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | M625 A629 E645 M647 | M625-A627 PolarHBondContact O-N 3.06Å; A627-A629 PolarHBondContact O-N 2.85Å; A627-E645 HydrophobicContact CB-CB 4.08Å; A627-E645 PolarHBondContact N-O 3.14Å; A627-M647 HydrophobicContact CB-CB 4.22Å | ||
| 628 | M | 73.1 | Confident | 71.8 | Confident | 184 Ų | 184 | 90.4 Ų | 90.4 | 91% | 0.906 | 51% | 0.512 | S | S | * | . | trans | -87.4 | 96.6 | 168.5 | -67.2 | -174.5 | 75.7 | 0 | 0 | 108 | P630 | M628-P630 WeakPolarHBondContact O-CD 3.5Š| ||
| 629 | A | 62.5 | Low | 70.2 | Confident | 51 Ų | 51 | 87.6 Ų | 87.6 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | trans | -51.2 | 118.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A627 N631 E645 | A627-A629 PolarHBondContact O-N 2.85Å; A629-N631 VanDerWaalsContact C-N 3.3Å; A629-N631 PolarHBondContact O-N 2.8Å; A629-E645 WeakPolarHBondContact CB-OE2 3.31Å | ||
| 630 | P | 54.7 | Low | 68.3 | Low | 111 Ų | 111 | 91.3 Ų | 91.3 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -79.1 | 81.5 | 178.4 | 32.3 | -33.8 | 0 | 0 | 0 | 110.3 | M628 | M628-P630 WeakPolarHBondContact O-CD 3.5Š|
| 631 | N | 54.2 | Low | 66.8 | Low | 122 Ų | 122 | 91.3 Ų | 91.3 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | trans | 79.4 | 132.3 | -178.1 | -41.2 | -76.4 | 0 | 0 | 0 | 114.9 | A629 T633 | A629-N631 VanDerWaalsContact C-N 3.3Å; A629-N631 PolarHBondContact O-N 2.8Å; N631-T633 PolarHBondContact O-N 3.48Å | ||
| 632 | E | 55.6 | Low | 65.3 | Low | 195 Ų | 195 | 93.1 Ų | 93.1 | 91% | 0.911 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 10.5 | -175.3 | -57.6 | -178.8 | 146.7 | 0 | 0 | 114.6 | ||
| 633 | T | 54.2 | Low | 64.1 | Low | 125 Ų | 125 | 101.7 Ų | 101.7 | 77% | 0.767 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -1.7 | -166.5 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | N631 | N631-T633 PolarHBondContact O-N 3.48Š|
| 634 | V | 53.5 | Low | 63.4 | Low | 125 Ų | 125 | 104.2 Ų | 104.2 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -124.5 | -21.3 | -171.8 | -171.6 | 0 | 0 | 0 | 0 | 114.1 | G636 | V634-G636 PolarHBondContact O-N 2.62Š|
| 635 | S | 46.7 | Very low | 63 | Low | 76 Ų | 76 | 108.2 Ų | 108.2 | 53% | 0.531 | 63% | 0.628 | S | S | . | * | trans | -76.4 | 62.2 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | R637 E645 | S635-R637 VanDerWaalsContact C-N 3.27Å; S635-R637 PolarHBondContact O-N 3.11Å; S635-E645 WeakPolarHBondContact CB-OE1 3.36Å; S635-E645 PolarHBondContact OG-OE1 3.26Å | ||
| 636 | G | 52.5 | Low | 62.7 | Low | 80 Ų | 80 | 107.7 Ų | 107.7 | 83% | 0.825 | 63% | 0.626 | S | S | * | * | trans | -74.4 | 62.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V634 | V634-G636 PolarHBondContact O-N 2.62Š| ||
| 637 | R | 54.3 | Low | 62.8 | Low | 224 Ų | 224 | 109.9 Ų | 109.9 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -154.1 | 117.6 | 168.6 | -130.1 | 175.8 | -166.8 | -97.6 | 0.1 | 113.9 | S635 | S635-R637 VanDerWaalsContact C-N 3.27Å; S635-R637 PolarHBondContact O-N 3.11Å |
| 638 | G | 53.5 | Low | 63.2 | Low | 58 Ų | 58 | 111.3 Ų | 111.3 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 97.5 | 168.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 639 | P | 49.5 | Very low | 64.1 | Low | 78 Ų | 78 | 105.9 Ų | 105.9 | 51% | 0.506 | 61% | 0.608 | S | S | . | * | trans | -64.7 | 151.8 | 170.4 | -18.8 | 32.8 | 0 | 0 | 0 | 112.2 | G641 D642 | P639-G641 PolarHBondContact O-N 3.19Å; P639-D642 VanDerWaalsContact CD-OD2 3.27Å; P639-D642 WeakPolarHBondContact CD-OD2 3.45Å; P639-D642 VanDerWaalsContact CG-OD2 3.32Å; P639-D642 WeakPolarHBondContact CG-OD2 3.32Å; P639-D642 PolarHBondContact O-N 2.57Å | ||
| 640 | P | 49.8 | Very low | 65.5 | Low | 144 Ų | 144 | 108.3 Ų | 108.3 | 94% | 0.935 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 88.6 | 177 | 29.8 | -35.1 | 0 | 0 | 0 | 111.2 | ||
| 641 | G | 57.7 | Low | 67.2 | Low | 69 Ų | 69 | 105.7 Ų | 105.7 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157 | -19.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P639 | P639-G641 PolarHBondContact O-N 3.19Š|
| 642 | D | 60.6 | Low | 69 | Low | 111 Ų | 111 | 105.9 Ų | 105.9 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -87.1 | -14 | -166.9 | -66.1 | -10.3 | 0 | 0 | 0 | 114.7 | P639 | P639-D642 VanDerWaalsContact CD-OD2 3.27Å; P639-D642 WeakPolarHBondContact CD-OD2 3.45Å; P639-D642 VanDerWaalsContact CG-OD2 3.32Å; P639-D642 WeakPolarHBondContact CG-OD2 3.32Å; P639-D642 PolarHBondContact O-N 2.57Å |
| 643 | Y | 68.6 | Low | 70.6 | Confident | 181 Ų | 181 | 98.6 Ų | 98.6 | 71% | 0.71 | 56% | 0.56 | S | S | * | * | trans | -135.9 | 132.4 | -177.3 | -58.4 | -90.8 | 0 | 0 | 0 | 110.7 | ||||
| 644 | E | 76 | Confident | 72.1 | Confident | 114 Ų | 114 | 98.7 Ų | 98.7 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | trans | -106.4 | 120.7 | 171.1 | -172.9 | 168.8 | -167.8 | 0 | 0 | 108.4 | M646 | E644-M646 HydrophobicContact CG-SD 4.18Å; E644-M646 PolarHBondContact O-N 3.46Å | ||
| 645 | E | 83.3 | Confident | 73.4 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | trans | -70.2 | 122 | 179.1 | -66.3 | -175.7 | 179.9 | 0 | 0 | 110.1 | P626 A627 A629 S635 | P626-E645 WeakPolarHBondContact CA-O 3.42Å; A627-E645 HydrophobicContact CB-CB 4.08Å; A627-E645 PolarHBondContact N-O 3.14Å; A629-E645 WeakPolarHBondContact CB-OE2 3.31Å; S635-E645 WeakPolarHBondContact CB-OE1 3.36Å; S635-E645 PolarHBondContact OG-OE1 3.26Å | ||
| 646 | M | 85.9 | Confident | 75.2 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 28% | 0.281 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.6 | -179 | -59.2 | -67.3 | -75.2 | 0 | 0 | 110.5 | V599 F601 V624 P626 E644 | V599-M646 HydrophobicContact CG1-CE 4.48Å; F601-M646 HydrophobicContact CD1-CE 4.42Å; F601-M646 HydrophobicContact CE1-CE 4.21Å; V624-M646 HydrophobicContact CG1-CB 4.09Å; V624-M646 HydrophobicContact CG1-CE 3.94Å; P626-M646 HydrophobicContact CB-SD 4.17Å; P626-M646 HydrophobicContact CG-CE 4.22Å; P626-M646 HydrophobicContact CG-SD 3.81Å; E644-M646 HydrophobicContact CG-SD 4.18Å; E644-M646 PolarHBondContact O-N 3.46Å |
| 647 | M | 88.9 | Confident | 76.8 | Confident | 80 Ų | 80 | 105.3 Ų | 105.3 | 39% | 0.394 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.4 | 169.6 | 178.7 | 176.5 | 62.2 | 0 | 0 | 109.6 | V624 M625 A627 I649 | V624-M647 WeakPolarHBondContact CA-O 3.36Å; M625-M647 HydrophobicContact CE-CE 3.73Å; M625-M647 HydrophobicContact CG-CE 3.77Å; M625-M647 PolarHBondContact N-O 3.33Å; M625-M647 PolarHBondContact O-N 3.15Å; M625-M647 HydrophobicContact SD-CE 3.58Å; M625-M647 VanDerWaalsContact SD-CE 3.58Å; A627-M647 HydrophobicContact CB-CB 4.22Å; M647-I649 HydrophobicContact CE-CD1 3.96Å; M647-I649 HydrophobicContact CG-CG1 4.16Å; M647-I649 HydrophobicContact SD-CD1 4.23Å; M647-I649 HydrophobicContact SD-CG1 4.39Å |
| 648 | Q | 92.3 | Very high | 78.2 | Confident | 69 Ų | 69 | 100.8 Ų | 100.8 | 32% | 0.322 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.7 | 172.4 | 174.7 | 154.7 | -35.4 | 0 | 0 | 110.2 | S622 L623 V624 E650 | S622-Q648 WeakPolarHBondContact OG-CG 3.44Å; L623-Q648 CarbonylContact O-C 3.58Å; L623-Q648 WeakPolarHBondContact O-CA 3.42Å; V624-Q648 HydrophobicContact CG2-CB 4.31Å; V624-Q648 HydrophobicContact CG2-CG 4.18Å; Q648-E650 HydrophobicContact CG-CG 4.3Å; Q648-E650 PolarHBondContact NE2-OE1 3.36Å; Q648-E650 VanDerWaalsContact NE2-OE1 3.17Å |
| 649 | I | 92.4 | Very high | 79.9 | Confident | 69 Ų | 69 | 103.7 Ų | 103.7 | 35% | 0.354 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.3 | 177.1 | -53.3 | 178.1 | 0 | 0 | 0 | 108 | S622 L623 M647 | S622-I649 WeakPolarHBondContact CA-O 3.22Å; L623-I649 HydrophobicContact CB-CB 4.43Å; L623-I649 PolarHBondContact N-O 2.83Å; L623-I649 PolarHBondContact O-N 3.4Å; M647-I649 HydrophobicContact CE-CD1 3.96Å; M647-I649 HydrophobicContact CG-CG1 4.16Å; M647-I649 HydrophobicContact SD-CD1 4.23Å; M647-I649 HydrophobicContact SD-CG1 4.39Å |
| 650 | E | 92.5 | Very high | 81.9 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 134 | 174.3 | -60 | -163.4 | 162.1 | 0 | 0 | 110.9 | R592 Q648 | R592-E650 IonicContact NE-OE1 2.77Å; R592-E650 PolarHBondContact NE-OE1 3.45Å; R592-E650 IonicContact NE-OE2 3.48Å; R592-E650 IonicContact NH2-OE1 3.3Å; R592-E650 IonicContact NH2-OE2 3.65Å; Q648-E650 HydrophobicContact CG-CG 4.3Å; Q648-E650 PolarHBondContact NE2-OE1 3.36Å; Q648-E650 VanDerWaalsContact NE2-OE1 3.17Å |
| 651 | C | 90.3 | Very high | 83.7 | Confident | 56 Ų | 56 | 106.6 Ų | 106.6 | 38% | 0.378 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.1 | -174.5 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | M621 | M621-C651 PolarHBondContact N-O 2.84Å; M621-C651 PolarHBondContact O-N 2.96Å |
| 652 | E | 91 | Very high | 85.3 | Confident | 125 Ų | 125 | 110.8 Ų | 110.8 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.5 | 162.3 | -63.8 | -158 | 152.6 | 0 | 0 | 110.3 | R618 M654 | R618-E652 WeakPolarHBondContact CD-OE2 3.49Å; E652-M654 PolarHBondContact O-N 3.08Å |
| 653 | V | 88.6 | Confident | 86.5 | Confident | 42 Ų | 42 | 110.4 Ų | 110.4 | 26% | 0.255 | 54% | 0.543 | S | S | . | . | trans | -86.4 | 107.1 | -177.8 | -170.2 | 0 | 0 | 0 | 0 | 110 | P619 M621 T656 | P619-V653 HydrophobicContact CB-CB 4.32Å; P619-V653 WeakPolarHBondContact O-CB 3.49Å; P619-V653 PolarHBondContact O-N 3.33Å; M621-V653 HydrophobicContact CB-CG2 3.69Å; V653-T656 HydrophobicContact CB-CG2 4.31Å; V653-T656 HydrophobicContact CG1-CG2 3.53Å | ||
| 654 | M | 86.2 | Confident | 87.3 | Confident | 128 Ų | 128 | 106 Ų | 106 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | trans | -83.6 | 156.7 | 171.8 | -60.6 | -175.6 | 69.9 | 0 | 0 | 111.7 | E652 T656 | E652-M654 PolarHBondContact O-N 3.08Å; M654-T656 PolarHBondContact O-N 3.07Å | ||
| 655 | D | 81.6 | Confident | 88 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 66% | 0.658 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 48.7 | 44.1 | 168.1 | -57.6 | -11.9 | 0 | 0 | 0 | 116.9 | R657 | D655-R657 PolarHBondContact O-N 2.65Š|
| 656 | T | 83.8 | Confident | 88.1 | Confident | 101 Ų | 101 | 103 Ų | 103 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | trans | -59.7 | 118 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | P619 V653 M654 | P619-T656 HydrophobicContact CG-CG2 4.39Å; V653-T656 HydrophobicContact CB-CG2 4.31Å; V653-T656 HydrophobicContact CG1-CG2 3.53Å; M654-T656 PolarHBondContact O-N 3.07Å | ||
| 657 | R | 85.4 | Confident | 88.2 | Confident | 196 Ų | 196 | 103.4 Ų | 103.4 | 74% | 0.74 | 54% | 0.541 | S | S | * | . | trans | -139 | 139.1 | -179.3 | 60.9 | 178.9 | 179.6 | -88.7 | 7.1 | 112.4 | D655 I659 | D655-R657 PolarHBondContact O-N 2.65Å; R657-I659 HydrophobicContact CG-CG2 4.28Å; R657-I659 PolarHBondContact O-N 3.48Å | ||
| 658 | V | 84.1 | Confident | 87.6 | Confident | 129 Ų | 129 | 104.1 Ų | 104.1 | 78% | 0.782 | 55% | 0.551 | S | S | * | * | trans | -82.4 | 100 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | H660 | V658-H660 PolarHBondContact O-ND1 3.11Š| ||
| 659 | I | 90.2 | Very high | 86.7 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 61% | 0.605 | 56% | 0.56 | S | S | * | * | trans | -83.5 | 133.3 | 175.2 | 60.7 | 174.9 | 0 | 0 | 0 | 111.4 | R657 I661 | R657-I659 HydrophobicContact CG-CG2 4.28Å; R657-I659 PolarHBondContact O-N 3.48Å; I659-I661 HydrophobicContact CD1-CD1 4.07Å; I659-I661 HydrophobicContact CD1-CG1 4.38Å; I659-I661 HydrophobicContact CG1-CD1 4.5Å; I659-I661 HydrophobicContact CG1-CG1 4.44Å | ||
| 660 | H | 90.1 | Very high | 85.7 | Confident | 176 Ų | 176 | 105.8 Ų | 105.8 | 82% | 0.815 | 57% | 0.568 | S | S | * | * | trans | -102.1 | 96.9 | -178.1 | -70.9 | 74.9 | 0 | 0 | 0 | 110.2 | V658 | V658-H660 PolarHBondContact O-ND1 3.11Š| ||
| 661 | I | 88.9 | Confident | 85.2 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 55% | 0.549 | 56% | 0.563 | S | S | . | * | trans | -90.6 | 130.9 | -179.8 | -55.7 | 177.7 | 0 | 0 | 0 | 109.5 | I659 T663 T665 V666 | I659-I661 HydrophobicContact CD1-CD1 4.07Å; I659-I661 HydrophobicContact CD1-CG1 4.38Å; I659-I661 HydrophobicContact CG1-CD1 4.5Å; I659-I661 HydrophobicContact CG1-CG1 4.44Å; I661-T663 PolarHBondContact O-N 3.35Å; I661-T665 WeakPolarHBondContact CG2-OG1 3.19Å; I661-V666 HydrophobicContact CG2-CG2 3.89Å | ||
| 662 | K | 90 | Very high | 84.2 | Confident | 158 Ų | 158 | 112.7 Ų | 112.7 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | trans | -64.4 | 131.3 | 175.2 | -66.8 | -179.6 | 179.5 | 177.1 | 0 | 109.7 | S664 T665 V666 | K662-S664 PolarHBondContact O-N 2.98Å; K662-T665 PolarHBondContact O-N 3.14Å; K662-T665 PolarHBondContact O-OG1 3.19Å; K662-V666 PolarHBondContact O-N 3.32Å | ||
| 663 | T | 86.5 | Confident | 82.7 | Confident | 103 Ų | 103 | 114.3 Ų | 114.3 | 63% | 0.632 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -24.9 | -179.3 | -39.2 | 0 | 0 | 0 | 0 | 112.9 | I661 V666 R671 | I661-T663 PolarHBondContact O-N 3.35Å; T663-V666 PolarHBondContact O-N 3.42Å; T663-R671 HydrophobicContact CG2-CG 4.4Å; T663-R671 PolarHBondContact O-NE 3.39Å |
| 664 | S | 86.3 | Confident | 81.2 | Confident | 87 Ų | 87 | 117.6 Ų | 117.6 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -27.8 | 173.8 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | K662 R671 | K662-S664 PolarHBondContact O-N 2.98Å; S664-R671 PolarHBondContact O-NH2 3.02Å |
| 665 | T | 89.1 | Confident | 79.2 | Confident | 97 Ų | 97 | 116.4 Ų | 116.4 | 60% | 0.595 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -12.5 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 113 | I661 K662 | I661-T665 WeakPolarHBondContact CG2-OG1 3.19Å; K662-T665 PolarHBondContact O-N 3.14Å; K662-T665 PolarHBondContact O-OG1 3.19Å |
| 666 | V | 87 | Confident | 77.6 | Confident | 38 Ų | 38 | 116.5 Ų | 116.5 | 23% | 0.23 | 63% | 0.629 | C | S | . | * | S | Bend | trans | -70.4 | 132.5 | 169.3 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | I661 K662 T663 L670 R671 | I661-V666 HydrophobicContact CG2-CG2 3.89Å; K662-V666 PolarHBondContact O-N 3.32Å; T663-V666 PolarHBondContact O-N 3.42Å; V666-L670 HydrophobicContact CG1-CB 3.91Å; V666-R671 HydrophobicContact CB-CG 4.28Å; V666-R671 HydrophobicContact CG1-CG 4.13Å; V666-R671 VanDerWaalsContact O-CZ 3.25Å; V666-R671 PolarHBondContact O-NE 2.95Å; V666-R671 PolarHBondContact O-NH2 2.67Å |
| 667 | P | 86.1 | Confident | 75.9 | Confident | 67 Ų | 67 | 117.6 Ų | 117.6 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | trans | -55.1 | 140.3 | 175.9 | -28.3 | 35.8 | 0 | 0 | 0 | 112.7 | S669 L670 R671 | P667-S669 PolarHBondContact O-N 3.05Å; P667-S669 VanDerWaalsContact O-N 3.11Å; P667-L670 HydrophobicContact CB-CD1 4.44Å; P667-L670 HydrophobicContact CB-CG 4.46Å; P667-L670 HydrophobicContact CG-CD1 4.23Å; P667-L670 PolarHBondContact O-N 3.34Å; P667-R671 PolarHBondContact O-N 3.17Å | ||
| 668 | P | 76.7 | Confident | 74.1 | Confident | 94 Ų | 94 | 114 Ų | 114 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -55.6 | -31.4 | -176.3 | -28.6 | 36.2 | 0 | 0 | 0 | 115.3 | L670 R671 | P668-L670 VanDerWaalsContact C-N 3.27Å; P668-L670 PolarHBondContact O-N 3.41Å; P668-R671 PolarHBondContact O-N 3.13Å |
| 669 | S | 74.8 | Confident | 71.9 | Confident | 73 Ų | 73 | 111.1 Ų | 111.1 | 51% | 0.51 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -67.6 | -22.1 | 175.6 | 47.9 | 0 | 0 | 0 | 0 | 114.5 | Q571 P667 | Q571-S669 PolarHBondContact NE2-O 2.8Å; Q571-S669 VanDerWaalsContact NE2-O 3.07Å; P667-S669 PolarHBondContact O-N 3.05Å; P667-S669 VanDerWaalsContact O-N 3.11Å |
| 670 | L | 71.6 | Confident | 69.3 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -104.4 | -2.8 | -179.9 | -58.6 | -179.7 | 0 | 0 | 0 | 112.7 | V666 P667 P668 | V666-L670 HydrophobicContact CG1-CB 3.91Å; P667-L670 HydrophobicContact CB-CD1 4.44Å; P667-L670 HydrophobicContact CB-CG 4.46Å; P667-L670 HydrophobicContact CG-CD1 4.23Å; P667-L670 PolarHBondContact O-N 3.34Å; P668-L670 VanDerWaalsContact C-N 3.27Å; P668-L670 PolarHBondContact O-N 3.41Å |
| 671 | R | 81.7 | Confident | 66.9 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 37% | 0.366 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -74.5 | 127.1 | 171.6 | -65.4 | 177.3 | -164.8 | 173.2 | 3.2 | 108.8 | T663 S664 V666 P667 P668 Q673 | T663-R671 HydrophobicContact CG2-CG 4.4Å; T663-R671 PolarHBondContact O-NE 3.39Å; S664-R671 PolarHBondContact O-NH2 3.02Å; V666-R671 HydrophobicContact CB-CG 4.28Å; V666-R671 HydrophobicContact CG1-CG 4.13Å; V666-R671 VanDerWaalsContact O-CZ 3.25Å; V666-R671 PolarHBondContact O-NE 2.95Å; V666-R671 PolarHBondContact O-NH2 2.67Å; P667-R671 PolarHBondContact O-N 3.17Å; P668-R671 PolarHBondContact O-N 3.13Å; R671-Q673 PolarHBondContact O-N 3.49Å |
| 672 | K | 67.6 | Low | 64.5 | Low | 206 Ų | 206 | 113.5 Ų | 113.5 | 90% | 0.896 | 67% | 0.666 | S | S | * | * | trans | -59.9 | 110.9 | 170.2 | -167.9 | 172.9 | -174.3 | 176.3 | 0 | 108.2 | ||||
| 673 | Q | 61.2 | Low | 61.9 | Low | 160 Ų | 160 | 109.3 Ų | 109.3 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132.3 | 176.6 | -75.1 | -78.9 | -9.8 | 0 | 0 | 109.3 | R671 S675 | R671-Q673 PolarHBondContact O-N 3.49Å; Q673-S675 PolarHBondContact O-N 3.08Å |
| 674 | P | 57.3 | Low | 59.2 | Low | 110 Ų | 110 | 107.9 Ų | 107.9 | 71% | 0.714 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.1 | 171.4 | 27.6 | -33 | 0 | 0 | 0 | 108.6 | ||
| 675 | S | 43.7 | Very low | 57.3 | Low | 103 Ų | 103 | 109.3 Ų | 109.3 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 129 | 175.4 | 50.4 | 0 | 0 | 0 | 0 | 109.7 | Q673 T677 | Q673-S675 PolarHBondContact O-N 3.08Å; S675-T677 PolarHBondContact O-N 3.27Å; S675-T677 VanDerWaalsContact O-N 3.1Å |
| 676 | P | 46.8 | Very low | 54.6 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 116.9 | 178.3 | 25.8 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 677 | T | 49.2 | Very low | 53.1 | Low | 125 Ų | 125 | 116.7 Ų | 116.7 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60 | 135.3 | 171.2 | -43.1 | 0 | 0 | 0 | 0 | 108.8 | S675 G679 | S675-T677 PolarHBondContact O-N 3.27Å; S675-T677 VanDerWaalsContact O-N 3.1Å; T677-G679 PolarHBondContact O-N 2.92Å |
| 678 | P | 47.8 | Very low | 50.4 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 123.5 | 174.5 | 24.5 | -33.5 | 0 | 0 | 0 | 109.5 | ||
| 679 | G | 38.2 | Very low | 48.1 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 132.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T677 T681 | T677-G679 PolarHBondContact O-N 2.92Å; G679-T681 PolarHBondContact O-N 2.81Å |
| 680 | N | 34.3 | Very low | 45.9 | Very low | 175 Ų | 175 | 120.3 Ų | 120.3 | 94% | 0.936 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.1 | 160.3 | -89.1 | -5.3 | 0 | 0 | 0 | 109.3 | ||
| 681 | T | 41 | Very low | 44 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 138.8 | 167.7 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | G679 | G679-T681 PolarHBondContact O-N 2.81Š|
| 682 | T | 38.1 | Very low | 41.5 | Very low | 145 Ų | 145 | 121.7 Ų | 121.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -172.8 | 146.1 | 142.1 | -75.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 683 | G | 34.2 | Very low | 39.7 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -76.7 | 170.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 684 | G | 31.2 | Very low | 38.1 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -70.9 | -176.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 685 | P | 46.5 | Very low | 36.8 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | -144.7 | 148.8 | 62.3 | 37.9 | -20.7 | 0 | 0 | 0 | 117.9 | |||||
| 686 | L | 31.7 | Very low | 36 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | 65.5 | 164.1 | 148.8 | -70.1 | 174.4 | 0 | 0 | 0 | 118.4 | ||||
| 687 | P | 56.1 | Low | 35.1 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -114 | 154.9 | -140 | 40.6 | -35.2 | 0 | 0 | 0 | 116.7 | ||||
| 688 | A | 28.1 | Very low | 34.1 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -150.7 | 123.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 689 | S | 28.9 | Very low | 33.2 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 27.5 | 152.1 | 145.3 | -142.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 690 | A | 29.9 | Very low | 32.9 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | 78.5 | 112.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 691 | A | 30.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | 31.1 | 115.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 692 | S | 28.7 | Very low | 32.2 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -75.2 | 147.4 | 169.9 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 693 | Q | 29.5 | Very low | 31.8 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -140.6 | 150.5 | 160.6 | -93.3 | -163.3 | -3.4 | 0 | 0 | 112.3 | ||||
| 694 | A | 27.4 | Very low | 31.6 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | trans | 74.1 | 138.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 695 | S | 30.3 | Very low | 31.6 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 32.7 | 122.5 | 148.7 | 53.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 696 | Q | 28.4 | Very low | 30.8 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | cis | 79.3 | 133.8 | 34.8 | -159.6 | -179 | 25 | 0 | 0 | 115.3 | ||||
| 697 | A | 27.8 | Very low | 31.9 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | 72.9 | 147.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 698 | S | 27.6 | Very low | 30.7 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 83% | 0.83 | S | S | * | * | cis | -151.8 | 172.6 | 5.1 | 40.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 699 | H | 28.7 | Very low | 30.8 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | 119.2 | 145.1 | 154.6 | -65.1 | -71.9 | 0 | 0 | 0 | 118.6 | ||||
| 700 | Q | 32.8 | Very low | 31 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -106.6 | 155.9 | -169.3 | -59.1 | 166.5 | -71.5 | 0 | 0 | 111.6 | ||||
| 701 | P | 30.2 | Very low | 31 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85 | 151.3 | 161.4 | 35 | -32.4 | 0 | 0 | 0 | 112.1 | ||
| 702 | L | 29 | Very low | 31 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 153.6 | 174.7 | -81.7 | 161.1 | 0 | 0 | 0 | 112 | ||
| 703 | Y | 30.5 | Very low | 31.2 | Very low | 233 Ų | 233 | 152.7 Ų | 152.7 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 150.9 | 166.3 | -91.4 | -98.2 | 0 | 0 | 0 | 111.3 | ||
| 704 | L | 29.8 | Very low | 31.3 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -140.7 | 157.4 | 160 | -110.1 | 166.1 | 0 | 0 | 0 | 109.2 | ||||
| 705 | N | 31.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 154.7 Ų | 154.7 | 67% | 0.674 | 84% | 0.836 | S | S | * | * | trans | -152.8 | 153.7 | -156.6 | -156.1 | 19.2 | 0 | 0 | 0 | 110.9 | ||||
| 706 | H | 28.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 158.8 Ų | 158.8 | 69% | 0.685 | 84% | 0.844 | S | S | * | * | trans | 64.8 | 166.9 | 170.5 | -70.6 | -61.3 | 0 | 0 | 0 | 117 | ||||
| 707 | P | 55.7 | Low | 32 | Very low | 186 Ų | 186 | 156 Ų | 156 | 100% | 1.208 | 84% | 0.84 | S | S | * | * | cis | -60.6 | 0 | 1.5 | -21.9 | 35.6 | 0 | 0 | 0 | 115.1 |
Retrieved 707 of 707 residues in 417.8 ms
(Link to these results)