| 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 | 40.8 | Very low | 54.1 | Low | 242 Ų | 242 | 141.4 Ų | 141.4 | 100% | 1.192 | 68% | 0.68 | S | S | * | * | 0 | 127.8 | 0 | -116.6 | 173.9 | -79.5 | 0 | 0 | 105.4 | |||||
| 2 | E | 42.3 | Very low | 54.4 | Low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | cis | -111.8 | 147.7 | 14.3 | -67.6 | 156.1 | 116.5 | 0 | 0 | 112.5 | ||||
| 3 | R | 48.6 | Very low | 54.8 | Low | 245 Ų | 245 | 137.6 Ų | 137.6 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 121.9 | 156.2 | -63.1 | 177.9 | -168.3 | 154 | 4.2 | 105 | S5 | R3-S5 PolarHBondContact O-N 3.1Å; R3-S5 VanDerWaalsContact O-N 3.15Å |
| 4 | M | 48.8 | Very low | 54.7 | Low | 137 Ų | 137 | 135.3 Ų | 135.3 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.9 | 159.5 | -68.1 | -135.9 | -59.7 | 0 | 0 | 106.7 | L9 | M4-L9 HydrophobicContact CE-CD2 4.35Š|
| 5 | S | 63.3 | Low | 54.7 | Low | 53 Ų | 53 | 136.5 Ų | 136.5 | 37% | 0.371 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 142 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | R3 D7 T8 | R3-S5 PolarHBondContact O-N 3.1Å; R3-S5 VanDerWaalsContact O-N 3.15Å; S5-D7 PolarHBondContact O-N 3.49Å; S5-D7 VanDerWaalsContact O-N 3.09Å; S5-T8 WeakPolarHBondContact O-CB 3.34Å; S5-T8 PolarHBondContact O-N 2.76Å; S5-T8 PolarHBondContact OG-OG1 3.14Å |
| 6 | D | 54.5 | Low | 54.6 | Low | 132 Ų | 132 | 139.6 Ų | 139.6 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -54.4 | -29.2 | 174.1 | -80.6 | -67.6 | 0 | 0 | 0 | 111.4 | T8 L9 R10 | D6-T8 VanDerWaalsContact C-N 3.29Å; D6-T8 PolarHBondContact O-N 3.06Å; D6-L9 PolarHBondContact O-N 3.33Å; D6-R10 VanDerWaalsContact O-CB 3.26Å; D6-R10 WeakPolarHBondContact O-CB 3.2Å; D6-R10 PolarHBondContact O-N 3.24Å |
| 7 | D | 57.2 | Low | 54.2 | Low | 116 Ų | 116 | 135.1 Ų | 135.1 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -60 | -34.4 | 172.5 | -59.9 | -46.7 | 0 | 0 | 0 | 113.2 | S5 R10 L11 | S5-D7 PolarHBondContact O-N 3.49Å; S5-D7 VanDerWaalsContact O-N 3.09Å; D7-R10 PolarHBondContact O-N 3.49Å; D7-L11 VanDerWaalsContact O-CB 3.23Å; D7-L11 WeakPolarHBondContact O-CB 3.3Å; D7-L11 PolarHBondContact O-N 3.04Å |
| 8 | T | 64.8 | Low | 53.9 | Low | 57 Ų | 57 | 135.9 Ų | 135.9 | 35% | 0.35 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.6 | -39.4 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | S5 D6 N12 | S5-T8 WeakPolarHBondContact O-CB 3.34Å; S5-T8 PolarHBondContact O-N 2.76Å; S5-T8 PolarHBondContact OG-OG1 3.14Å; D6-T8 VanDerWaalsContact C-N 3.29Å; D6-T8 PolarHBondContact O-N 3.06Å; T8-N12 PolarHBondContact O-N 3.26Å; T8-N12 VanDerWaalsContact O-N 3.12Å; T8-N12 PolarHBondContact O-ND2 3.06Å |
| 9 | L | 59.2 | Low | 53.6 | Low | 97 Ų | 97 | 134.3 Ų | 134.3 | 51% | 0.508 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.2 | -40.8 | 173 | -71 | 171.6 | 0 | 0 | 0 | 111.1 | M4 D6 N12 L13 | M4-L9 HydrophobicContact CE-CD2 4.35Å; D6-L9 PolarHBondContact O-N 3.33Å; L9-N12 PolarHBondContact O-N 3.26Å; L9-L13 PolarHBondContact O-N 3.5Å |
| 10 | R | 59.9 | Low | 53.8 | Low | 176 Ų | 176 | 130.2 Ų | 130.2 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.3 | -39.9 | 176.5 | -167.8 | 176.9 | 178.5 | 119.6 | 0.1 | 112.1 | D6 D7 L13 L14 | D6-R10 VanDerWaalsContact O-CB 3.26Å; D6-R10 WeakPolarHBondContact O-CB 3.2Å; D6-R10 PolarHBondContact O-N 3.24Å; D7-R10 PolarHBondContact O-N 3.49Å; R10-L13 PolarHBondContact O-N 3.03Å; R10-L14 HydrophobicContact CG-CD1 4.37Å; R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 WeakPolarHBondContact O-CG 3.26Å; R10-L14 PolarHBondContact O-N 3.46Å |
| 11 | L | 55.5 | Low | 53.9 | Low | 119 Ų | 119 | 128.5 Ų | 128.5 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.9 | -39 | 175.6 | -164.4 | 73.7 | 0 | 0 | 0 | 111.7 | D7 L13 L14 K15 | D7-L11 VanDerWaalsContact O-CB 3.23Å; D7-L11 WeakPolarHBondContact O-CB 3.3Å; D7-L11 PolarHBondContact O-N 3.04Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-K15 VanDerWaalsContact O-CB 3.29Å; L11-K15 WeakPolarHBondContact O-CB 3.5Å; L11-K15 PolarHBondContact O-N 3.44Å |
| 12 | N | 58.4 | Low | 54.9 | Low | 98 Ų | 98 | 121 Ų | 121 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -37 | 172.2 | -83.8 | -78.5 | 0 | 0 | 0 | 112.4 | T8 L9 K15 R16 | T8-N12 PolarHBondContact O-N 3.26Å; T8-N12 VanDerWaalsContact O-N 3.12Å; T8-N12 PolarHBondContact O-ND2 3.06Å; L9-N12 PolarHBondContact O-N 3.26Å; N12-K15 PolarHBondContact O-N 3.36Å; N12-R16 WeakPolarHBondContact O-CB 3.36Å; N12-R16 PolarHBondContact O-N 3.4Å |
| 13 | L | 58.6 | Low | 56 | Low | 136 Ų | 136 | 117.9 Ų | 117.9 | 71% | 0.712 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 175.7 | -145 | 73.6 | 0 | 0 | 0 | 111.9 | L9 R10 L11 R16 G17 | L9-L13 PolarHBondContact O-N 3.5Å; R10-L13 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-R16 PolarHBondContact O-N 3.36Å; L13-G17 PolarHBondContact O-N 3.11Å |
| 14 | L | 54.3 | Low | 56.9 | Low | 105 Ų | 105 | 111.3 Ų | 111.3 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.3 | -44 | 173 | -74.2 | 162.7 | 0 | 0 | 0 | 111.8 | R10 L11 R16 G17 L18 | R10-L14 HydrophobicContact CG-CD1 4.37Å; R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 WeakPolarHBondContact O-CG 3.26Å; R10-L14 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 3.36Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 2.9Å; L14-G17 WeakPolarHBondContact O-CA 3.48Å; L14-G17 PolarHBondContact O-N 3.08Å; L14-L18 PolarHBondContact O-N 2.91Å |
| 15 | K | 54 | Low | 58.1 | Low | 154 Ų | 154 | 110.9 Ų | 110.9 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.6 | -36.5 | 177.3 | -167.2 | 172.1 | -175.7 | 177.9 | 0 | 112.2 | L11 N12 G17 L18 | L11-K15 VanDerWaalsContact O-CB 3.29Å; L11-K15 WeakPolarHBondContact O-CB 3.5Å; L11-K15 PolarHBondContact O-N 3.44Å; N12-K15 PolarHBondContact O-N 3.36Å; K15-G17 VanDerWaalsContact C-N 3.26Å; K15-G17 PolarHBondContact O-N 3.23Å; K15-L18 PolarHBondContact O-N 3.47Å |
| 16 | R | 53.1 | Low | 58.9 | Low | 185 Ų | 185 | 113 Ų | 113 | 70% | 0.698 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -14.8 | 175.2 | -159.8 | 171.5 | -172.9 | 161.1 | 1.9 | 114 | N12 L13 L14 R24 | N12-R16 WeakPolarHBondContact O-CB 3.36Å; N12-R16 PolarHBondContact O-N 3.4Å; L13-R16 PolarHBondContact O-N 3.36Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 2.9Å; R16-R24 PolarHBondContact O-NH2 3.03Å |
| 17 | G | 48.7 | Very low | 60 | Low | 64 Ų | 64 | 109.5 Ų | 109.5 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -7.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L13 L14 K15 | L13-G17 PolarHBondContact O-N 3.11Å; L14-G17 WeakPolarHBondContact O-CA 3.48Å; L14-G17 PolarHBondContact O-N 3.08Å; K15-G17 VanDerWaalsContact C-N 3.26Å; K15-G17 PolarHBondContact O-N 3.23Å |
| 18 | L | 47.4 | Very low | 60.7 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 78% | 0.78 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -101.6 | -12.9 | -177.3 | -72.3 | 171.2 | 0 | 0 | 0 | 114.6 | L14 K15 S20 | L14-L18 PolarHBondContact O-N 2.91Å; K15-L18 PolarHBondContact O-N 3.47Å; L18-S20 PolarHBondContact O-N 3.01Å |
| 19 | E | 49.5 | Very low | 61.5 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -66.2 | 127.4 | 169 | -64.1 | 178.4 | 131.9 | 0 | 0 | 109.6 | R24 | E19-R24 IonicContact OE2-CZ 2.65Å; E19-R24 IonicContact OE2-NE 3.73Å; E19-R24 IonicContact OE2-NH2 3.82Å; E19-R24 PolarHBondContact OE2-NH2 3.15Å |
| 20 | S | 56.8 | Low | 62.8 | Low | 51 Ų | 51 | 109.4 Ų | 109.4 | 36% | 0.357 | 56% | 0.564 | S | S | . | * | trans | -65.5 | 148.5 | 179.5 | 73.4 | 0 | 0 | 0 | 0 | 110.6 | L18 S22 E23 R24 | L18-S20 PolarHBondContact O-N 3.01Å; S20-S22 PolarHBondContact O-N 3.42Å; S20-S22 VanDerWaalsContact O-N 3.12Å; S20-E23 VanDerWaalsContact CB-OE2 3.25Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 3.48Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 VanDerWaalsContact OG-CD 3.25Å; S20-E23 VanDerWaalsContact OG-CG 3.3Å; S20-E23 WeakPolarHBondContact OG-CG 3.4Å; S20-E23 PolarHBondContact OG-N 3.04Å; S20-E23 PolarHBondContact OG-OE2 3.18Å; S20-R24 PolarHBondContact O-N 3.42Å | ||
| 21 | S | 56.5 | Low | 64 | Low | 95 Ų | 95 | 109 Ų | 109 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.7 | -29.8 | 177.5 | -164.4 | 0 | 0 | 0 | 0 | 112 | E25 | S21-E25 WeakPolarHBondContact O-CB 3.47Å; S21-E25 PolarHBondContact O-N 3.42Å; S21-E25 VanDerWaalsContact O-N 3.08Å |
| 22 | S | 61.6 | Low | 65.4 | Low | 84 Ų | 84 | 108.9 Ų | 108.9 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -48.2 | 177.4 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | S20 R24 E25 E26 | S20-S22 PolarHBondContact O-N 3.42Å; S20-S22 VanDerWaalsContact O-N 3.12Å; S22-R24 VanDerWaalsContact C-N 3.3Å; S22-R24 PolarHBondContact O-N 3.02Å; S22-E25 PolarHBondContact O-N 2.96Å; S22-E26 WeakPolarHBondContact O-CB 3.43Å; S22-E26 PolarHBondContact O-N 3.47Å |
| 23 | E | 65.4 | Low | 66.8 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -36.3 | -179.5 | -69.9 | 159 | 127.4 | 0 | 0 | 111.7 | S20 E26 A27 | S20-E23 VanDerWaalsContact CB-OE2 3.25Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 3.48Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 VanDerWaalsContact OG-CD 3.25Å; S20-E23 VanDerWaalsContact OG-CG 3.3Å; S20-E23 WeakPolarHBondContact OG-CG 3.4Å; S20-E23 PolarHBondContact OG-N 3.04Å; S20-E23 PolarHBondContact OG-OE2 3.18Å; E23-E26 PolarHBondContact O-N 3.48Å; E23-A27 VanDerWaalsContact O-CB 3.32Å; E23-A27 WeakPolarHBondContact O-CB 3.48Å; E23-A27 PolarHBondContact O-N 3.47Å |
| 24 | R | 68.4 | Low | 68.3 | Low | 106 Ų | 106 | 111.9 Ų | 111.9 | 40% | 0.4 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.3 | -41.7 | 175.4 | -172.9 | 172.6 | -66.7 | 149 | 2.5 | 112 | R16 E19 S20 S22 A27 L28 | R16-R24 PolarHBondContact O-NH2 3.03Å; E19-R24 IonicContact OE2-CZ 2.65Å; E19-R24 IonicContact OE2-NE 3.73Å; E19-R24 IonicContact OE2-NH2 3.82Å; E19-R24 PolarHBondContact OE2-NH2 3.15Å; S20-R24 PolarHBondContact O-N 3.42Å; S22-R24 VanDerWaalsContact C-N 3.3Å; S22-R24 PolarHBondContact O-N 3.02Å; R24-A27 PolarHBondContact O-N 2.98Å; R24-L28 VanDerWaalsContact O-CG 3.29Å; R24-L28 WeakPolarHBondContact O-CG 3.39Å; R24-L28 PolarHBondContact O-N 3.4Å |
| 25 | E | 73.3 | Confident | 69.7 | Low | 129 Ų | 129 | 112 Ų | 112 | 60% | 0.603 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.4 | -36.5 | 176.5 | -171 | 168.7 | -175.8 | 0 | 0 | 112.1 | S21 S22 L28 S29 | S21-E25 WeakPolarHBondContact O-CB 3.47Å; S21-E25 PolarHBondContact O-N 3.42Å; S21-E25 VanDerWaalsContact O-N 3.08Å; S22-E25 PolarHBondContact O-N 2.96Å; E25-L28 PolarHBondContact O-N 2.91Å; E25-S29 VanDerWaalsContact O-CB 3.3Å; E25-S29 WeakPolarHBondContact O-CB 3.37Å; E25-S29 PolarHBondContact O-N 3.4Å; E25-S29 PolarHBondContact O-OG 3.07Å |
| 26 | E | 79.7 | Confident | 71.5 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.4 | -41.4 | 173.3 | -164 | -171.4 | 153.1 | 0 | 0 | 111.9 | S22 E23 S29 K30 | S22-E26 WeakPolarHBondContact O-CB 3.43Å; S22-E26 PolarHBondContact O-N 3.47Å; E23-E26 PolarHBondContact O-N 3.48Å; E26-S29 WeakPolarHBondContact O-CB 3.39Å; E26-S29 PolarHBondContact O-N 3.07Å; E26-K30 WeakPolarHBondContact O-CG 3.29Å; E26-K30 PolarHBondContact O-N 2.77Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 3.07Å; E26-K30 PolarHBondContact OE1-NZ 3.05Å |
| 27 | A | 77.3 | Confident | 73.3 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E23 R24 K30 R31 | E23-A27 VanDerWaalsContact O-CB 3.32Å; E23-A27 WeakPolarHBondContact O-CB 3.48Å; E23-A27 PolarHBondContact O-N 3.47Å; R24-A27 PolarHBondContact O-N 2.98Å; A27-K30 PolarHBondContact O-N 3.29Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 3.47Å |
| 28 | L | 72.9 | Confident | 75.3 | Confident | 97 Ų | 97 | 105 Ų | 105 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 172.3 | -71.7 | 171.2 | 0 | 0 | 0 | 111.6 | R24 E25 R31 L32 | R24-L28 VanDerWaalsContact O-CG 3.29Å; R24-L28 WeakPolarHBondContact O-CG 3.39Å; R24-L28 PolarHBondContact O-N 3.4Å; E25-L28 PolarHBondContact O-N 2.91Å; L28-R31 PolarHBondContact O-N 3.05Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.49Å |
| 29 | S | 81.6 | Confident | 77.3 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 176.2 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | E25 E26 K33 | E25-S29 VanDerWaalsContact O-CB 3.3Å; E25-S29 WeakPolarHBondContact O-CB 3.37Å; E25-S29 PolarHBondContact O-N 3.4Å; E25-S29 PolarHBondContact O-OG 3.07Å; E26-S29 WeakPolarHBondContact O-CB 3.39Å; E26-S29 PolarHBondContact O-N 3.07Å; S29-K33 WeakPolarHBondContact O-CB 3.25Å; S29-K33 VanDerWaalsContact O-CG 3.26Å; S29-K33 WeakPolarHBondContact O-CG 3.5Å; S29-K33 PolarHBondContact O-N 3.46Å |
| 30 | K | 85.1 | Confident | 79.3 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 172.9 | -75.9 | 172.1 | -177.4 | 164.9 | 0 | 111 | E26 A27 K33 M34 | E26-K30 WeakPolarHBondContact O-CG 3.29Å; E26-K30 PolarHBondContact O-N 2.77Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 3.07Å; E26-K30 PolarHBondContact OE1-NZ 3.05Å; A27-K30 PolarHBondContact O-N 3.29Å; K30-K33 PolarHBondContact O-N 2.87Å; K30-M34 WeakPolarHBondContact O-CG 3.24Å; K30-M34 PolarHBondContact O-N 3.36Å |
| 31 | R | 85.1 | Confident | 80.9 | Confident | 168 Ų | 168 | 104.4 Ų | 104.4 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 176.2 | -173.7 | 177.5 | 175.5 | -168.7 | -1.8 | 112.3 | A27 L28 K33 M34 E35 | A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 3.47Å; L28-R31 PolarHBondContact O-N 3.05Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.41Å; R31-M34 PolarHBondContact O-N 2.92Å; R31-E35 WeakPolarHBondContact O-CB 3.47Å; R31-E35 PolarHBondContact O-N 2.86Å |
| 32 | L | 84.9 | Confident | 82.5 | Confident | 117 Ų | 117 | 106.6 Ų | 106.6 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -35.4 | 176.4 | -78.2 | 163.9 | 0 | 0 | 0 | 112.6 | L28 G36 | L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.49Å; L32-G36 PolarHBondContact O-N 2.87Å |
| 33 | K | 88.8 | Confident | 84 | Confident | 159 Ų | 159 | 108.5 Ų | 108.5 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 173.7 | -76.5 | 170.9 | -179 | 178.6 | 0 | 112.3 | S29 K30 R31 H37 | S29-K33 WeakPolarHBondContact O-CB 3.25Å; S29-K33 VanDerWaalsContact O-CG 3.26Å; S29-K33 WeakPolarHBondContact O-CG 3.5Å; S29-K33 PolarHBondContact O-N 3.46Å; K30-K33 PolarHBondContact O-N 2.87Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.41Å; K33-H37 PolarHBondContact O-N 2.99Å |
| 34 | M | 89.2 | Confident | 85.2 | Confident | 138 Ų | 138 | 109.9 Ų | 109.9 | 68% | 0.68 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.4 | -44.9 | 176.3 | -64.4 | -158 | -51.3 | 0 | 0 | 111.9 | K30 R31 G36 H37 E38 | K30-M34 WeakPolarHBondContact O-CG 3.24Å; K30-M34 PolarHBondContact O-N 3.36Å; R31-M34 PolarHBondContact O-N 2.92Å; M34-G36 VanDerWaalsContact C-N 3.3Å; M34-G36 PolarHBondContact O-N 2.85Å; M34-H37 WeakPolarHBondContact O-CB 3.4Å; M34-H37 PolarHBondContact O-N 3.25Å; M34-H37 VanDerWaalsContact O-N 3.12Å; M34-E38 WeakPolarHBondContact O-CB 3.4Å; M34-E38 PolarHBondContact O-N 2.98Å |
| 35 | E | 84.9 | Confident | 86.3 | Confident | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 176.9 | -171.1 | 173 | 167.2 | 0 | 0 | 111.6 | R31 E38 A39 | R31-E35 WeakPolarHBondContact O-CB 3.47Å; R31-E35 PolarHBondContact O-N 2.86Å; E35-E38 PolarHBondContact O-N 3.48Å; E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.2Å |
| 36 | G | 90.6 | Very high | 87 | Confident | 37 Ų | 37 | 109.2 Ų | 109.2 | 38% | 0.381 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | L32 M34 M40 | L32-G36 PolarHBondContact O-N 2.87Å; M34-G36 VanDerWaalsContact C-N 3.3Å; M34-G36 PolarHBondContact O-N 2.85Å; G36-M40 WeakPolarHBondContact O-CB 3.33Å; G36-M40 PolarHBondContact O-N 2.68Å |
| 37 | H | 92 | Very high | 87.3 | Confident | 130 Ų | 130 | 106.8 Ų | 106.8 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -46.6 | 174.3 | -173 | -79.7 | 0 | 0 | 0 | 111.4 | K33 M34 A39 M40 E41 | K33-H37 PolarHBondContact O-N 2.99Å; M34-H37 WeakPolarHBondContact O-CB 3.4Å; M34-H37 PolarHBondContact O-N 3.25Å; M34-H37 VanDerWaalsContact O-N 3.12Å; H37-A39 VanDerWaalsContact C-N 3.31Å; H37-A39 PolarHBondContact O-N 2.97Å; H37-M40 WeakPolarHBondContact O-CB 3.48Å; H37-M40 PolarHBondContact O-N 2.82Å; H37-M40 VanDerWaalsContact O-N 3.12Å; H37-E41 PolarHBondContact O-N 3.13Å |
| 38 | E | 91.1 | Very high | 87.7 | Confident | 89 Ų | 89 | 108.1 Ų | 108.1 | 42% | 0.416 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 176.7 | -158.3 | -166 | 137.4 | 0 | 0 | 111.7 | M34 E35 R42 | M34-E38 WeakPolarHBondContact O-CB 3.4Å; M34-E38 PolarHBondContact O-N 2.98Å; E35-E38 PolarHBondContact O-N 3.48Å; E38-R42 VanDerWaalsContact CD-NH1 3.25Å; E38-R42 WeakPolarHBondContact O-CG 3.21Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 VanDerWaalsContact O-N 3.1Å; E38-R42 IonicContact OE1-CZ 3.17Å; E38-R42 IonicContact OE1-NH1 2.68Å; E38-R42 PolarHBondContact OE1-NH1 2.95Å; E38-R42 IonicContact OE1-NH2 3.07Å; E38-R42 PolarHBondContact OE1-NH2 3.45Å |
| 39 | A | 89.3 | Confident | 88.2 | Confident | 43 Ų | 43 | 108 Ų | 108 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E35 H37 R42 L43 | E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.2Å; H37-A39 VanDerWaalsContact C-N 3.31Å; H37-A39 PolarHBondContact O-N 2.97Å; A39-R42 PolarHBondContact O-N 3.24Å; A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 2.98Å; A39-L43 PolarHBondContact O-N 2.95Å |
| 40 | M | 90.6 | Very high | 88.2 | Confident | 138 Ų | 138 | 112.4 Ų | 112.4 | 68% | 0.68 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | 176.9 | -169.2 | 177.3 | -63.5 | 0 | 0 | 112 | G36 H37 L43 K44 | G36-M40 WeakPolarHBondContact O-CB 3.33Å; G36-M40 PolarHBondContact O-N 2.68Å; H37-M40 WeakPolarHBondContact O-CB 3.48Å; H37-M40 PolarHBondContact O-N 2.82Å; H37-M40 VanDerWaalsContact O-N 3.12Å; M40-L43 PolarHBondContact O-N 3.46Å; M40-K44 PolarHBondContact O-N 3.01Å |
| 41 | E | 91.1 | Very high | 87.7 | Confident | 114 Ų | 114 | 115 Ų | 115 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.3 | -45 | 173.5 | -172.7 | 176.5 | -162.5 | 0 | 0 | 111.9 | H37 L43 K44 M45 | H37-E41 PolarHBondContact O-N 3.13Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.39Å; E41-K44 WeakPolarHBondContact O-CB 3.33Å; E41-K44 PolarHBondContact O-N 3.48Å; E41-K44 VanDerWaalsContact O-N 3.1Å; E41-M45 PolarHBondContact O-N 3.37Å |
| 42 | R | 90.4 | Very high | 87.2 | Confident | 141 Ų | 141 | 113.4 Ų | 113.4 | 53% | 0.532 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57 | -43.8 | 172.3 | -74.2 | 178.8 | 175.8 | 105.9 | 1.7 | 112.2 | E38 A39 M45 L46 | E38-R42 VanDerWaalsContact CD-NH1 3.25Å; E38-R42 WeakPolarHBondContact O-CG 3.21Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 VanDerWaalsContact O-N 3.1Å; E38-R42 IonicContact OE1-CZ 3.17Å; E38-R42 IonicContact OE1-NH1 2.68Å; E38-R42 PolarHBondContact OE1-NH1 2.95Å; E38-R42 IonicContact OE1-NH2 3.07Å; E38-R42 PolarHBondContact OE1-NH2 3.45Å; A39-R42 PolarHBondContact O-N 3.24Å; R42-M45 PolarHBondContact O-N 2.94Å; R42-L46 VanDerWaalsContact O-CG 3.32Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 2.86Å |
| 43 | L | 91.6 | Very high | 86.5 | Confident | 123 Ų | 123 | 112.3 Ų | 112.3 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 175 | -94.6 | 103.2 | 0 | 0 | 0 | 112.5 | A39 M40 E41 L46 A47 | A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 2.98Å; A39-L43 PolarHBondContact O-N 2.95Å; M40-L43 PolarHBondContact O-N 3.46Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.39Å; L43-L46 PolarHBondContact O-N 3.34Å; L43-A47 WeakPolarHBondContact O-CB 3.44Å; L43-A47 PolarHBondContact O-N 2.71Å |
| 44 | K | 90.9 | Very high | 85.4 | Confident | 147 Ų | 147 | 109.7 Ų | 109.7 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 175.6 | -172.8 | -177.9 | 178 | -173.7 | 0 | 111.3 | M40 E41 A47 L48 | M40-K44 PolarHBondContact O-N 3.01Å; E41-K44 WeakPolarHBondContact O-CB 3.33Å; E41-K44 PolarHBondContact O-N 3.48Å; E41-K44 VanDerWaalsContact O-N 3.1Å; K44-A47 PolarHBondContact O-N 2.91Å; K44-L48 WeakPolarHBondContact O-CG 3.33Å; K44-L48 PolarHBondContact O-N 3Å |
| 45 | M | 91.5 | Very high | 84.3 | Confident | 108 Ų | 108 | 105.6 Ų | 105.6 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.4 | -70.7 | -60.3 | -69.3 | 0 | 0 | 112.2 | E41 R42 A47 L48 L49 | E41-M45 PolarHBondContact O-N 3.37Å; R42-M45 PolarHBondContact O-N 2.94Å; M45-A47 VanDerWaalsContact C-N 3.29Å; M45-A47 PolarHBondContact O-N 3.26Å; M45-L48 PolarHBondContact O-N 3.46Å; M45-L48 HydrophobicContact SD-CD1 4.39Å; M45-L49 PolarHBondContact O-N 2.89Å |
| 46 | L | 88.3 | Confident | 83.2 | Confident | 113 Ų | 113 | 104.7 Ų | 104.7 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -34.7 | 175.2 | -71.9 | 167.9 | 0 | 0 | 0 | 112.6 | R42 L43 K50 | R42-L46 VanDerWaalsContact O-CG 3.32Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 2.86Å; L43-L46 PolarHBondContact O-N 3.34Å; L46-K50 WeakPolarHBondContact O-CB 3.38Å; L46-K50 PolarHBondContact O-N 3.2Å |
| 47 | A | 86.2 | Confident | 81.5 | Confident | 46 Ų | 46 | 108.2 Ų | 108.2 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -34.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L43 K44 M45 R51 | L43-A47 WeakPolarHBondContact O-CB 3.44Å; L43-A47 PolarHBondContact O-N 2.71Å; K44-A47 PolarHBondContact O-N 2.91Å; M45-A47 VanDerWaalsContact C-N 3.29Å; M45-A47 PolarHBondContact O-N 3.26Å; A47-R51 WeakPolarHBondContact O-CG 3.44Å; A47-R51 PolarHBondContact O-N 3.49Å; A47-R51 VanDerWaalsContact O-N 3.09Å |
| 48 | L | 84.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.2 | -45.4 | 173.5 | -70.4 | 172 | 0 | 0 | 0 | 111.6 | K44 M45 K50 R51 K52 | K44-L48 WeakPolarHBondContact O-CG 3.33Å; K44-L48 PolarHBondContact O-N 3Å; M45-L48 PolarHBondContact O-N 3.46Å; M45-L48 HydrophobicContact SD-CD1 4.39Å; L48-K50 PolarHBondContact O-N 3.09Å; L48-R51 PolarHBondContact O-N 2.95Å; L48-K52 PolarHBondContact O-N 2.96Å |
| 49 | L | 83.6 | Confident | 78.1 | Confident | 94 Ų | 94 | 106.6 Ų | 106.6 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -55.2 | -50.9 | 172.1 | -80.4 | 154.2 | 0 | 0 | 0 | 111.1 | M45 R51 K52 D53 | M45-L49 PolarHBondContact O-N 2.89Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3.24Å; L49-K52 WeakPolarHBondContact O-CA 3.38Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 2.95Å; L49-D53 PolarHBondContact O-N 3.44Å |
| 50 | K | 82.3 | Confident | 76.4 | Confident | 142 Ų | 142 | 111.2 Ų | 111.2 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.7 | -32.8 | 178.2 | -174 | 173.1 | -178.8 | 178.5 | 0 | 113.7 | L46 L48 L54 | L46-K50 WeakPolarHBondContact O-CB 3.38Å; L46-K50 PolarHBondContact O-N 3.2Å; L48-K50 PolarHBondContact O-N 3.09Å; K50-L54 HydrophobicContact CG-CD1 4.36Å; K50-L54 WeakPolarHBondContact O-CB 3.37Å; K50-L54 WeakPolarHBondContact O-CD1 3.39Å; K50-L54 VanDerWaalsContact O-CG 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.38Å |
| 51 | R | 75.1 | Confident | 74.3 | Confident | 176 Ų | 176 | 112.9 Ų | 112.9 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.7 | -34.4 | 172.6 | -76 | -179 | -166.7 | 158.7 | 3.4 | 112.2 | A47 L48 L49 L54 A55 | A47-R51 WeakPolarHBondContact O-CG 3.44Å; A47-R51 PolarHBondContact O-N 3.49Å; A47-R51 VanDerWaalsContact O-N 3.09Å; L48-R51 PolarHBondContact O-N 2.95Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3.24Å; R51-L54 PolarHBondContact O-N 3.02Å; R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 2.89Å |
| 52 | K | 75.1 | Confident | 72 | Confident | 133 Ų | 133 | 113.3 Ų | 113.3 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -47.1 | 174.3 | -177.1 | 168.4 | 177.7 | 170.6 | 0 | 111.1 | L48 L49 L54 A55 D56 | L48-K52 PolarHBondContact O-N 2.96Å; L49-K52 WeakPolarHBondContact O-CA 3.38Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 2.95Å; K52-L54 PolarHBondContact O-N 3.18Å; K52-A55 WeakPolarHBondContact O-CA 3.35Å; K52-A55 WeakPolarHBondContact O-CB 3.31Å; K52-A55 PolarHBondContact O-N 3.04Å; K52-D56 PolarHBondContact O-N 3.49Å |
| 53 | D | 69.3 | Low | 69.7 | Low | 95 Ų | 95 | 112.4 Ų | 112.4 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.9 | -37.6 | 175.6 | -57.1 | -29.7 | 0 | 0 | 0 | 112 | L49 L57 | L49-D53 PolarHBondContact O-N 3.44Å; D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.35Å; D53-L57 VanDerWaalsContact O-N 3.07Å |
| 54 | L | 65.5 | Low | 67 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.2 | -30.9 | 175.1 | -73.9 | 168.1 | 0 | 0 | 0 | 113.3 | K50 R51 K52 A58 | K50-L54 HydrophobicContact CG-CD1 4.36Å; K50-L54 WeakPolarHBondContact O-CB 3.37Å; K50-L54 WeakPolarHBondContact O-CD1 3.39Å; K50-L54 VanDerWaalsContact O-CG 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.38Å; R51-L54 PolarHBondContact O-N 3.02Å; K52-L54 PolarHBondContact O-N 3.18Å; L54-A58 WeakPolarHBondContact O-CB 3.36Å; L54-A58 PolarHBondContact O-N 3.43Å |
| 55 | A | 65.3 | Low | 64.3 | Low | 51 Ų | 51 | 109.2 Ų | 109.2 | 42% | 0.421 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.8 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R51 K52 L57 A58 V59 | R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 2.89Å; K52-A55 WeakPolarHBondContact O-CA 3.35Å; K52-A55 WeakPolarHBondContact O-CB 3.31Å; K52-A55 PolarHBondContact O-N 3.04Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.02Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.1Å; A55-V59 WeakPolarHBondContact O-CG2 3.29Å; A55-V59 PolarHBondContact O-N 2.87Å |
| 56 | D | 62.3 | Low | 61.8 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.1 | -33.6 | 176 | -67.5 | -18.5 | 0 | 0 | 0 | 111 | K52 | K52-D56 PolarHBondContact O-N 3.49Å |
| 57 | L | 56.1 | Low | 59.2 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.7 | -39.7 | 168.9 | -84.3 | 164.8 | 0 | 0 | 0 | 113.4 | D53 A55 V59 L60 | D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.35Å; D53-L57 VanDerWaalsContact O-N 3.07Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.02Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 2.93Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-L60 VanDerWaalsContact O-N 3.15Å |
| 58 | A | 56.5 | Low | 56.9 | Low | 68 Ų | 68 | 117.4 Ų | 117.4 | 56% | 0.562 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.2 | -26.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L54 A55 L60 | L54-A58 WeakPolarHBondContact O-CB 3.36Å; L54-A58 PolarHBondContact O-N 3.43Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.1Å; A58-L60 VanDerWaalsContact C-N 3.25Å; A58-L60 PolarHBondContact O-N 3.34Å |
| 59 | V | 54.5 | Low | 54.6 | Low | 116 Ų | 116 | 116.1 Ų | 116.1 | 70% | 0.703 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -19.4 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | A55 L57 | A55-V59 WeakPolarHBondContact O-CG2 3.29Å; A55-V59 PolarHBondContact O-N 2.87Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 2.93Å |
| 60 | L | 53.8 | Low | 52.2 | Low | 140 Ų | 140 | 121.9 Ų | 121.9 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -11 | 178.4 | -73.6 | 167.2 | 0 | 0 | 0 | 114.4 | L57 A58 V62 | L57-L60 PolarHBondContact O-N 3.43Å; L57-L60 VanDerWaalsContact O-N 3.15Å; A58-L60 VanDerWaalsContact C-N 3.25Å; A58-L60 PolarHBondContact O-N 3.34Å; L60-V62 PolarHBondContact O-N 3.46Å |
| 61 | E | 46.6 | Very low | 49.7 | Very low | 173 Ų | 173 | 118.3 Ų | 118.3 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | trans | -100.4 | 72.6 | 176.4 | -68.6 | -155.8 | 154.6 | 0 | 0 | 112.7 | ||||
| 62 | V | 41.6 | Very low | 48.7 | Very low | 123 Ų | 123 | 116 Ų | 116 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | trans | -117.5 | 122.3 | 160.7 | -180 | 0 | 0 | 0 | 0 | 108.6 | L60 G64 | L60-V62 PolarHBondContact O-N 3.46Å; V62-G64 PolarHBondContact O-N 3.3Å; V62-G64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | P | 42.9 | Very low | 46.5 | Very low | 122 Ų | 122 | 114.7 Ų | 114.7 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | trans | -80.5 | 100.4 | -170.7 | 30.6 | -34.3 | 0 | 0 | 0 | 112.5 | ||||
| 64 | G | 34.5 | Very low | 44.7 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | -75.8 | 131.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V62 | V62-G64 PolarHBondContact O-N 3.3Å; V62-G64 VanDerWaalsContact O-N 3.14Å | ||
| 65 | T | 35.3 | Very low | 43.1 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -96.7 | 144.8 | -173.4 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 66 | L | 38.5 | Very low | 41.4 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 95% | 0.948 | 75% | 0.75 | S | S | * | * | trans | 63.6 | 136.4 | 167.1 | -81.5 | 80.7 | 0 | 0 | 0 | 119.1 | ||||
| 67 | G | 33.2 | Very low | 40 | Very low | 83 Ų | 83 | 122 Ų | 122 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | 159 | 99.6 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 68 | D | 37.3 | Very low | 38.8 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 94% | 0.941 | 77% | 0.771 | S | S | * | * | trans | -85.3 | 160.1 | -176.4 | -149 | -40.1 | 0 | 0 | 0 | 112.8 | ||||
| 69 | G | 37.2 | Very low | 37.5 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | 118.9 | 98.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 70 | K | 34.2 | Very low | 36.6 | Very low | 215 Ų | 215 | 131.5 Ų | 131.5 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | 65 | 108.7 | 127.4 | -145.5 | 172.2 | -172.2 | 177.2 | 0 | 119.7 | |||||
| 71 | G | 29.8 | Very low | 35.6 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -85.3 | -164.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 72 | P | 53 | Low | 35 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | cis | -130.7 | -177.6 | 2.1 | 42.2 | -26.8 | 0 | 0 | 0 | 114.5 | ||||
| 73 | S | 28.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 140.1 | 127.2 | 138.4 | -163.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 74 | V | 31.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 130 Ų | 130 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | trans | 64 | 105.5 | 141.3 | 171.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 75 | S | 32.2 | Very low | 34 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | 73.4 | 140.4 | 128 | -60.9 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 76 | S | 30.4 | Very low | 33.8 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 90.9 | 100.6 | 141.4 | -157.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 77 | I | 32.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | 30.4 | 101.9 | 125.1 | -48.4 | 170.5 | 0 | 0 | 0 | 117 | |||||
| 78 | H | 30.3 | Very low | 33.5 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | -165.5 | 133.7 | 125 | -145.5 | -108.3 | 0 | 0 | 0 | 109.7 | |||||
| 79 | H | 30.1 | Very low | 33.3 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -145 | 100.7 | 159.1 | -150.3 | -82.5 | 0 | 0 | 0 | 110.4 | ||||
| 80 | Q | 34.5 | Very low | 33.5 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 128.5 | 172.9 | -173.9 | 165.3 | 12.3 | 0 | 0 | 108.7 | ||||
| 81 | S | 34.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -23.7 | 136.5 | 171.2 | -172 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 82 | L | 33.4 | Very low | 33.7 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -153.5 | 162.8 | 131.9 | -149.4 | 56 | 0 | 0 | 0 | 113.8 | ||||
| 83 | M | 34.3 | Very low | 32.5 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 150.9 | -171.7 | -60.9 | -166.1 | -165.9 | 0 | 0 | 115.9 | ||||
| 84 | G | 30.6 | Very low | 32.5 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | 57.5 | 115.2 | 110.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 85 | A | 32 | Very low | 32.6 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -138 | 135.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 86 | A | 31.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -100.2 | 150.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 87 | Y | 30.3 | Very low | 32.6 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -144.4 | 132.4 | 154.1 | 75.8 | -86.3 | 0 | 0 | 0 | 110 | ||||
| 88 | E | 36.1 | Very low | 32.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -87.3 | 143.1 | 158.3 | -90.8 | -148.8 | 145.2 | 0 | 0 | 107.7 | K90 | E88-K90 VanDerWaalsContact CD-NZ 3.33Å; E88-K90 WeakPolarHBondContact OE1-CE 3.32Å; E88-K90 IonicContact OE1-NZ 3.06Å; E88-K90 PolarHBondContact OE1-NZ 2.99Å; E88-K90 WeakPolarHBondContact OE2-CE 3.4Å; E88-K90 IonicContact OE2-NZ 2.76Å; E88-K90 PolarHBondContact OE2-NZ 3.09Å | ||
| 89 | E | 32.7 | Very low | 32.3 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -143 | 134.6 | 145.4 | -159.5 | 172.8 | 122.3 | 0 | 0 | 109.8 | ||||
| 90 | K | 40.2 | Very low | 32.4 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 59% | 0.591 | 80% | 0.795 | S | S | * | * | trans | -112.9 | 141.8 | -179.9 | -66.3 | 169.9 | 176.6 | 136.8 | 0 | 108.7 | E88 | E88-K90 VanDerWaalsContact CD-NZ 3.33Å; E88-K90 WeakPolarHBondContact OE1-CE 3.32Å; E88-K90 IonicContact OE1-NZ 3.06Å; E88-K90 PolarHBondContact OE1-NZ 2.99Å; E88-K90 WeakPolarHBondContact OE2-CE 3.4Å; E88-K90 IonicContact OE2-NZ 2.76Å; E88-K90 PolarHBondContact OE2-NZ 3.09Å | ||
| 91 | L | 38.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 162.3 | 141.8 | 110 | -85.6 | 174 | 0 | 0 | 0 | 114.7 | |||||
| 92 | N | 31.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 70.4 | 126.6 | 145.1 | -64.1 | -23.7 | 0 | 0 | 0 | 122.6 | ||||
| 93 | G | 28.1 | Very low | 31.9 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 174.2 | 86.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 94 | S | 27.4 | Very low | 31.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -87.4 | 150.7 | -178.1 | 178 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 95 | L | 33 | Very low | 31.6 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -168.1 | 171.9 | 131.6 | -101.1 | 172.4 | 0 | 0 | 0 | 112.7 | ||||
| 96 | R | 33.4 | Very low | 31.6 | Very low | 217 Ų | 217 | 140.9 Ų | 140.9 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -116.1 | 179.4 | -148.6 | -76.9 | 177.4 | 161 | -165.7 | -2.8 | 116.6 | ||||
| 97 | L | 30.3 | Very low | 31.7 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | 101.9 | 133 | 160.5 | -73.2 | 95.9 | 0 | 0 | 0 | 115.7 | ||||
| 98 | G | 27.9 | Very low | 31.8 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | -159.9 | 148.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 99 | S | 28.8 | Very low | 31.7 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | 54.1 | 127 | 105 | -156.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 100 | H | 32.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | cis | -141.4 | 156.4 | 29.8 | -63 | -109.6 | 0 | 0 | 0 | 110 | ||||
| 101 | S | 31.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | 69.3 | 129.8 | 37.5 | -137.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 102 | V | 29.7 | Very low | 31.4 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | cis | -170.1 | 164.1 | -24.8 | 119.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 103 | H | 29.3 | Very low | 31.6 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 94.6 | 117.8 | 157 | -125.9 | -117.9 | 0 | 0 | 0 | 122.2 | ||||
| 104 | V | 30.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | 44.4 | 134.5 | 134.4 | 179.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 105 | G | 29.5 | Very low | 32.2 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | cis | 142.6 | 144.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 106 | Q | 31.6 | Very low | 32.2 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -164.7 | 149.2 | 162.1 | -116 | 177.7 | 24.6 | 0 | 0 | 112.8 | ||||
| 107 | S | 32.3 | Very low | 32.3 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -85.7 | 152 | -168.7 | -38.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 108 | K | 33.5 | Very low | 33 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | 178.8 | 148.6 | 112.3 | -96.1 | 162.7 | -175.1 | 179 | 0 | 114.2 | |||||
| 109 | N | 33 | Very low | 33.8 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 65.8 | 127.1 | 163.5 | -65.2 | 8.3 | 0 | 0 | 0 | 119.5 | ||||
| 110 | G | 31.1 | Very low | 34.4 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 155.9 | 17.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 111 | K | 38.9 | Very low | 34.3 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | 66.6 | 132.5 | 172 | -75.4 | -177.7 | 169.7 | -179.4 | 0 | 118.9 | ||||
| 112 | E | 35.2 | Very low | 34.6 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -54.4 | 145.5 | 168.3 | 54 | -95.7 | 94.1 | 0 | 0 | 113.3 | ||||
| 113 | N | 35.9 | Very low | 34.8 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | 68.9 | 113.2 | 50 | -107.9 | -32.4 | 0 | 0 | 0 | 116 | ||||
| 114 | I | 35.5 | Very low | 34.8 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -144.7 | 138 | 137 | -161.1 | 64.3 | 0 | 0 | 0 | 109.2 | ||||
| 115 | M | 33.4 | Very low | 35.1 | Very low | 141 Ų | 141 | 142 Ų | 142 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 174.8 | 173.9 | -75.1 | -175.4 | 66.1 | 0 | 0 | 109.7 | ||||
| 116 | D | 32.9 | Very low | 35.2 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -167.4 | 174 | 48.8 | -148 | 0.5 | 0 | 0 | 0 | 116.7 | ||||
| 117 | E | 35.7 | Very low | 35 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | -45 | 150.8 | -170.3 | -156.1 | 167.4 | 109.1 | 0 | 0 | 119.9 | ||||
| 118 | P | 45.2 | Very low | 34.8 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 122.1 | 169.7 | 33.5 | -32.3 | 0 | 0 | 0 | 112.8 | ||
| 119 | V | 43.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 123.5 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | M121 | V119-M121 HydrophobicContact CG1-CG 4.45Š|
| 120 | D | 41.7 | Very low | 34.6 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93 | 133.7 | 159.8 | 173.6 | 27.3 | 0 | 0 | 0 | 110 | ||
| 121 | M | 30.8 | Very low | 34.5 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -151 | 119 | 160.4 | -85.5 | -60.1 | 153 | 0 | 0 | 110.3 | V119 | V119-M121 HydrophobicContact CG1-CG 4.45Š| ||
| 122 | S | 36.6 | Very low | 34.2 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -90.7 | 134.2 | 175.8 | -74.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 123 | A | 35.1 | Very low | 34 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | 52.1 | 126.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 124 | G | 28.3 | Very low | 33.9 | Very low | 75 Ų | 75 | 152.4 Ų | 152.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -165.7 | 109.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 125 | R | 37.8 | Very low | 33.8 | Very low | 232 Ų | 232 | 150.1 Ų | 150.1 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 133.1 | 162.7 | -62.1 | -163 | -128.4 | -90.4 | 8.1 | 110.7 | ||||
| 126 | R | 31.4 | Very low | 34.2 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -150.9 | 162 | 148.2 | -56.2 | -75.9 | -176.7 | -89.2 | -0.1 | 108.2 | ||||
| 127 | C | 27.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 148 Ų | 148 | 86% | 0.858 | 79% | 0.789 | S | S | * | * | trans | -112.7 | 167.1 | -177.2 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 128 | E | 28 | Very low | 34.7 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | 89.8 | 153.3 | 141 | -143 | 179.7 | -143.9 | 0 | 0 | 121.5 | ||||
| 129 | V | 31.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | 89.2 | 86.4 | 162.1 | -164.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 130 | D | 30.8 | Very low | 34.3 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | 58 | 153.4 | 112.2 | -131.1 | -52.2 | 0 | 0 | 0 | 124.2 | |||||
| 131 | R | 30 | Very low | 34.2 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | 93 | 91.6 | 161.3 | -58.6 | -168.9 | 69.4 | -165.7 | 0.4 | 122.8 | ||||
| 132 | D | 32.2 | Very low | 34.5 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | 56.7 | 112.6 | 106.1 | -139.5 | -20.3 | 0 | 0 | 0 | 122 | |||||
| 133 | R | 31.1 | Very low | 34.5 | Very low | 234 Ų | 234 | 149.1 Ų | 149.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | -177.2 | 123.8 | 123.7 | -110.7 | 178.2 | 160.9 | -179.3 | -7.2 | 118 | |||||
| 134 | Q | 33.9 | Very low | 35.1 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 66% | 0.659 | 78% | 0.781 | S | S | * | * | trans | 19.1 | 120.2 | 145.7 | -100.1 | 69.1 | 34.7 | 0 | 0 | 125 | ||||
| 135 | T | 32.4 | Very low | 35.7 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 53 | 160.7 | 115.2 | 62.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 136 | P | 42.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -136.9 | 172.1 | 17.3 | 41 | -22.1 | 0 | 0 | 0 | 118.8 | ||||
| 137 | S | 34.7 | Very low | 36.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 165.4 | 170.6 | -47.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 138 | P | 43.8 | Very low | 37.2 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | -138.2 | 169.2 | 101.6 | 25.8 | -6.4 | 0 | 0 | 0 | 112.4 | |||||
| 139 | D | 39.5 | Very low | 37.4 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | cis | -147.8 | 170.4 | 3.5 | -119.3 | -31 | 0 | 0 | 0 | 111.6 | ||||
| 140 | V | 41.4 | Very low | 37.7 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.655 | 76% | 0.763 | S | S | * | * | trans | -91.6 | 135 | -167 | 172.8 | 0 | 0 | 0 | 0 | 114.4 | I142 | V140-I142 HydrophobicContact CG1-CB 4.21Å; V140-I142 HydrophobicContact CG1-CD1 4.32Å; V140-I142 HydrophobicContact CG1-CG1 4.07Å | ||
| 141 | I | 39.1 | Very low | 38.2 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | trans | -133.4 | 100 | 136.7 | -56.3 | -178.1 | 0 | 0 | 0 | 108.4 | ||||
| 142 | I | 37.8 | Very low | 38.7 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -105.9 | 122.2 | 168.7 | -68.3 | 168.2 | 0 | 0 | 0 | 107.1 | V140 S144 | V140-I142 HydrophobicContact CG1-CB 4.21Å; V140-I142 HydrophobicContact CG1-CD1 4.32Å; V140-I142 HydrophobicContact CG1-CG1 4.07Å; I142-S144 WeakPolarHBondContact CG2-OG 3.49Å | ||
| 143 | L | 35.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -104.7 | 105.2 | 162.7 | -66.6 | 177.6 | 0 | 0 | 0 | 107.4 | ||||
| 144 | S | 47.8 | Very low | 40.1 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -114.9 | 116.2 | 176.5 | -71.2 | 0 | 0 | 0 | 0 | 110.7 | I142 | I142-S144 WeakPolarHBondContact CG2-OG 3.49Š| ||
| 145 | D | 41.7 | Very low | 40.7 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | -161.5 | 140.3 | 146.9 | -135.3 | -13.9 | 0 | 0 | 0 | 105.6 | ||||
| 146 | N | 42 | Very low | 41.7 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -146.8 | 138.5 | 19.9 | 162.8 | 106.2 | 0 | 0 | 0 | 110.6 | ||||
| 147 | E | 49.6 | Very low | 42.4 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -71.6 | 142.8 | -179.5 | -103.5 | -97.9 | 75.5 | 0 | 0 | 114.7 | ||||
| 148 | A | 36 | Very low | 43.3 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | 164.6 | 133.3 | 121.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 149 | S | 31.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | 71.1 | 111.4 | 161.3 | -65.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 150 | S | 38.9 | Very low | 44.5 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | trans | -55.6 | 146.8 | 153.2 | -169.3 | 0 | 0 | 0 | 0 | 111 | R152 | S150-R152 PolarHBondContact OG-N 2.87Š| ||
| 151 | P | 41.4 | Very low | 45.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | -136.6 | 133.9 | 102.9 | 35.7 | -25.6 | 0 | 0 | 0 | 114.8 | |||||
| 152 | R | 39.1 | Very low | 46 | Very low | 215 Ų | 215 | 125.9 Ų | 125.9 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | trans | 54.5 | 104.3 | 136 | -154 | 177 | -161.2 | -152.8 | 4.8 | 116.9 | S150 T154 | S150-R152 PolarHBondContact OG-N 2.87Å; R152-T154 PolarHBondContact O-N 3.38Å | ||
| 153 | T | 45.8 | Very low | 46.9 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | -23.2 | 100.2 | 161.8 | 54.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 154 | T | 48.5 | Very low | 47.9 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 71% | 0.712 | 65% | 0.646 | S | S | * | * | trans | -89.9 | 115.2 | 161 | 58.1 | 0 | 0 | 0 | 0 | 106.7 | R152 | R152-T154 PolarHBondContact O-N 3.38Š| ||
| 155 | P | 45.3 | Very low | 48.8 | Very low | 59 Ų | 59 | 118.3 Ų | 118.3 | 38% | 0.383 | 63% | 0.633 | S | S | . | * | trans | -63 | 143.7 | -177 | -15.3 | 25.9 | 0 | 0 | 0 | 109.5 | E159 R160 | P155-E159 HydrophobicContact CB-CB 4.12Å; P155-R160 HydrophobicContact CB-CG 4.16Å; P155-R160 HydrophobicContact CG-CG 4.29Å; P155-R160 PolarHBondContact O-NE 2.93Å; P155-R160 PolarHBondContact O-NH2 3.41Å | ||
| 156 | R | 52.7 | Low | 49.9 | Very low | 158 Ų | 158 | 116.3 Ų | 116.3 | 60% | 0.596 | 62% | 0.622 | S | S | * | * | trans | -52.5 | 145.6 | 177 | -148.2 | 179.4 | -166.1 | -143.6 | 11.2 | 108.6 | E158 E159 R160 | R156-E158 WeakPolarHBondContact CD-OE2 3.16Å; R156-E158 IonicContact CZ-OE2 3.73Å; R156-E158 IonicContact NE-OE2 3.9Å; R156-E158 IonicContact NH1-OE2 2.78Å; R156-E158 PolarHBondContact NH1-OE2 2.97Å; R156-E158 PolarHBondContact O-N 3.29Å; R156-E159 HydrophobicContact CB-CB 4.28Å; R156-E159 HydrophobicContact CB-CG 4.16Å; R156-E159 WeakPolarHBondContact CB-OE2 3.49Å; R156-E159 PolarHBondContact N-OE2 3.38Å; R156-E159 WeakPolarHBondContact O-CA 3.42Å; R156-E159 WeakPolarHBondContact O-CB 3.2Å; R156-E159 PolarHBondContact O-N 3.42Å; R156-R160 PolarHBondContact O-N 2.92Å | ||
| 157 | P | 58.2 | Low | 51.2 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -53.9 | -34 | -179.3 | -28.7 | 36.3 | 0 | 0 | 0 | 113 | R160 M161 | P157-R160 PolarHBondContact O-N 3.39Å; P157-M161 PolarHBondContact O-N 2.8Å |
| 158 | E | 53.2 | Low | 52.2 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 45% | 0.453 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.7 | -44.9 | 173.5 | -65.5 | 154.6 | 163.2 | 0 | 0 | 112.5 | R156 R160 M161 H162 | R156-E158 WeakPolarHBondContact CD-OE2 3.16Å; R156-E158 IonicContact CZ-OE2 3.73Å; R156-E158 IonicContact NE-OE2 3.9Å; R156-E158 IonicContact NH1-OE2 2.78Å; R156-E158 PolarHBondContact NH1-OE2 2.97Å; R156-E158 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.1Å; E158-M161 PolarHBondContact O-N 3.2Å; E158-H162 PolarHBondContact O-N 3.24Å; E158-H162 PolarHBondContact O-ND1 2.91Å |
| 159 | E | 53.4 | Low | 54 | Low | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.5 | -40.4 | 173.2 | -75.4 | 177.3 | 128.8 | 0 | 0 | 111.5 | P155 R156 M161 H162 Q163 | P155-E159 HydrophobicContact CB-CB 4.12Å; R156-E159 HydrophobicContact CB-CB 4.28Å; R156-E159 HydrophobicContact CB-CG 4.16Å; R156-E159 WeakPolarHBondContact CB-OE2 3.49Å; R156-E159 PolarHBondContact N-OE2 3.38Å; R156-E159 WeakPolarHBondContact O-CA 3.42Å; R156-E159 WeakPolarHBondContact O-CB 3.2Å; R156-E159 PolarHBondContact O-N 3.42Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 3.42Å; E159-H162 PolarHBondContact O-N 3.27Å; E159-Q163 WeakPolarHBondContact O-CB 3.37Å; E159-Q163 PolarHBondContact O-N 3.47Å |
| 160 | R | 55.3 | Low | 56 | Low | 137 Ų | 137 | 108.5 Ų | 108.5 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -38.7 | 175.1 | -110.9 | 177.7 | -79.6 | -176.2 | -5.4 | 111.9 | P155 R156 P157 E158 A164 | P155-R160 HydrophobicContact CB-CG 4.16Å; P155-R160 HydrophobicContact CG-CG 4.29Å; P155-R160 PolarHBondContact O-NE 2.93Å; P155-R160 PolarHBondContact O-NH2 3.41Å; R156-R160 PolarHBondContact O-N 2.92Å; P157-R160 PolarHBondContact O-N 3.39Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.1Å; R160-A164 VanDerWaalsContact O-CB 3.31Å; R160-A164 WeakPolarHBondContact O-CB 3.43Å; R160-A164 PolarHBondContact O-N 3.41Å |
| 161 | M | 57.1 | Low | 57.5 | Low | 110 Ų | 110 | 107.4 Ų | 107.4 | 54% | 0.542 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.6 | -41.8 | 175.7 | -173.1 | 176.5 | 67.2 | 0 | 0 | 112.5 | P157 E158 E159 A164 N165 | P157-M161 PolarHBondContact O-N 2.8Å; E158-M161 PolarHBondContact O-N 3.2Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 3.42Å; M161-A164 PolarHBondContact O-N 2.97Å; M161-N165 WeakPolarHBondContact O-CB 3.42Å; M161-N165 PolarHBondContact O-N 3.3Å; M161-N165 PolarHBondContact O-ND2 2.9Å |
| 162 | H | 55.8 | Low | 59.2 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175.4 | -73.7 | 82.2 | 0 | 0 | 0 | 111.7 | E158 E159 N165 L166 | E158-H162 PolarHBondContact O-N 3.24Å; E158-H162 PolarHBondContact O-ND1 2.91Å; E159-H162 PolarHBondContact O-N 3.27Å; H162-N165 PolarHBondContact O-N 2.98Å; H162-L166 VanDerWaalsContact O-CG 3.32Å; H162-L166 WeakPolarHBondContact O-CG 3.49Å; H162-L166 PolarHBondContact O-N 3.41Å |
| 163 | Q | 55.2 | Low | 61.2 | Low | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 172.5 | -168 | 70.7 | 44.2 | 0 | 0 | 110.6 | E159 N165 L166 E167 | E159-Q163 WeakPolarHBondContact O-CB 3.37Å; E159-Q163 PolarHBondContact O-N 3.47Å; Q163-N165 VanDerWaalsContact C-N 3.33Å; Q163-N165 PolarHBondContact O-N 3.13Å; Q163-L166 PolarHBondContact O-N 3.01Å; Q163-L166 VanDerWaalsContact O-N 3.1Å; Q163-E167 HydrophobicContact CG-CG 4.38Å; Q163-E167 PolarHBondContact NE2-OE1 3.35Å; Q163-E167 WeakPolarHBondContact O-CG 3.32Å; Q163-E167 PolarHBondContact O-N 3.36Å |
| 164 | A | 57.8 | Low | 62.8 | Low | 50 Ų | 50 | 95.4 Ų | 95.4 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R160 M161 L166 E167 I168 | R160-A164 VanDerWaalsContact O-CB 3.31Å; R160-A164 WeakPolarHBondContact O-CB 3.43Å; R160-A164 PolarHBondContact O-N 3.41Å; M161-A164 PolarHBondContact O-N 2.97Å; A164-L166 VanDerWaalsContact C-N 3.33Å; A164-L166 PolarHBondContact O-N 2.95Å; A164-E167 PolarHBondContact O-N 3.14Å; A164-I168 WeakPolarHBondContact O-CD1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.39Å; A164-I168 PolarHBondContact O-N 3.32Å |
| 165 | N | 66.2 | Low | 64.5 | Low | 81 Ų | 81 | 97 Ų | 97 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 174.8 | -76.3 | -35 | 0 | 0 | 0 | 112.9 | M161 H162 Q163 F169 | M161-N165 WeakPolarHBondContact O-CB 3.42Å; M161-N165 PolarHBondContact O-N 3.3Å; M161-N165 PolarHBondContact O-ND2 2.9Å; H162-N165 PolarHBondContact O-N 2.98Å; Q163-N165 VanDerWaalsContact C-N 3.33Å; Q163-N165 PolarHBondContact O-N 3.13Å; N165-F169 VanDerWaalsContact O-CD2 3.25Å; N165-F169 WeakPolarHBondContact O-CD2 3.46Å |
| 166 | L | 65.6 | Low | 66.2 | Low | 116 Ų | 116 | 98.7 Ų | 98.7 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.4 | -43.1 | 176.1 | -72 | 168.7 | 0 | 0 | 0 | 112.3 | H162 Q163 A164 I168 F169 K170 | H162-L166 VanDerWaalsContact O-CG 3.32Å; H162-L166 WeakPolarHBondContact O-CG 3.49Å; H162-L166 PolarHBondContact O-N 3.41Å; Q163-L166 PolarHBondContact O-N 3.01Å; Q163-L166 VanDerWaalsContact O-N 3.1Å; A164-L166 VanDerWaalsContact C-N 3.33Å; A164-L166 PolarHBondContact O-N 2.95Å; L166-I168 VanDerWaalsContact C-N 3.26Å; L166-I168 PolarHBondContact O-N 2.9Å; L166-F169 PolarHBondContact O-N 3.13Å; L166-F169 VanDerWaalsContact O-N 3.08Å; L166-K170 PolarHBondContact O-N 3.42Å |
| 167 | E | 69.6 | Low | 67.7 | Low | 85 Ų | 85 | 96.4 Ų | 96.4 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 175.1 | -64.3 | -57.6 | 133.3 | 0 | 0 | 111.4 | Q163 A164 F169 K170 | Q163-E167 HydrophobicContact CG-CG 4.38Å; Q163-E167 PolarHBondContact NE2-OE1 3.35Å; Q163-E167 WeakPolarHBondContact O-CG 3.32Å; Q163-E167 PolarHBondContact O-N 3.36Å; A164-E167 PolarHBondContact O-N 3.14Å; E167-F169 PolarHBondContact O-N 2.95Å; E167-F169 VanDerWaalsContact O-N 3.16Å; E167-K170 WeakPolarHBondContact O-CB 3.42Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 IonicContact OE1-NZ 3.5Å; E167-K170 PolarHBondContact OE1-NZ 2.99Å; E167-K170 WeakPolarHBondContact OE2-CD 3.44Å; E167-K170 IonicContact OE2-NZ 2.7Å; E167-K170 PolarHBondContact OE2-NZ 3.1Å |
| 168 | I | 69.9 | Low | 69 | Low | 73 Ų | 73 | 96 Ų | 96 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -26.9 | 174.4 | -75.2 | 164.9 | 0 | 0 | 0 | 112.7 | A164 L166 K172 M180 | A164-I168 WeakPolarHBondContact O-CD1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.39Å; A164-I168 PolarHBondContact O-N 3.32Å; L166-I168 VanDerWaalsContact C-N 3.26Å; L166-I168 PolarHBondContact O-N 2.9Å; I168-K172 WeakPolarHBondContact O-CD 3.39Å; I168-K172 WeakPolarHBondContact O-CE 3.27Å; I168-K172 PolarHBondContact O-NZ 3.49Å; I168-M180 HydrophobicContact CG2-SD 3.49Å; I168-M180 WeakPolarHBondContact CG2-SD 3.31Å |
| 169 | F | 72.8 | Confident | 70.7 | Confident | 51 Ų | 51 | 97.6 Ų | 97.6 | 22% | 0.224 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 2.2 | 178.9 | -67.2 | -65.1 | 0 | 0 | 0 | 114.9 | N165 L166 E167 R177 M180 I181 L184 | N165-F169 VanDerWaalsContact O-CD2 3.25Å; N165-F169 WeakPolarHBondContact O-CD2 3.46Å; L166-F169 PolarHBondContact O-N 3.13Å; L166-F169 VanDerWaalsContact O-N 3.08Å; E167-F169 PolarHBondContact O-N 2.95Å; E167-F169 VanDerWaalsContact O-N 3.16Å; F169-R177 HydrophobicContact CD1-CB 4.42Å; F169-R177 HydrophobicContact CD1-CG 3.77Å; F169-R177 HydrophobicContact CE1-CG 4.22Å; F169-R177 PolarHBondContact O-NH2 2.84Å; F169-M180 HydrophobicContact CD1-SD 4.45Å; F169-M180 HydrophobicContact CE1-CB 4.03Å; F169-M180 HydrophobicContact CE1-CG 3.73Å; F169-M180 HydrophobicContact CE1-SD 4.18Å; F169-M180 HydrophobicContact CZ-CG 4.28Å; F169-I181 HydrophobicContact CE1-CG1 3.95Å; F169-I181 HydrophobicContact CZ-CG1 4.07Å; F169-L184 HydrophobicContact CZ-CD1 3.93Å |
| 170 | K | 74.1 | Confident | 72.1 | Confident | 128 Ų | 128 | 94.9 Ų | 94.9 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -83 | 143.5 | -177.9 | -160.3 | -178.1 | -175.6 | -178 | 0 | 110.6 | L166 E167 K172 | L166-K170 PolarHBondContact O-N 3.42Å; E167-K170 WeakPolarHBondContact O-CB 3.42Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 IonicContact OE1-NZ 3.5Å; E167-K170 PolarHBondContact OE1-NZ 2.99Å; E167-K170 WeakPolarHBondContact OE2-CD 3.44Å; E167-K170 IonicContact OE2-NZ 2.7Å; E167-K170 PolarHBondContact OE2-NZ 3.1Å; K170-K172 PolarHBondContact O-N 3.34Å |
| 171 | G | 71.3 | Confident | 73.7 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 91% | 0.907 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 70.3 | -13.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 172 | K | 77.3 | Confident | 75.4 | Confident | 74 Ų | 74 | 92 Ų | 92 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | trans | -80.9 | 143 | 179.3 | -68 | 174.8 | -175.9 | 166.5 | 0 | 112.3 | I168 K170 E176 M180 | I168-K172 WeakPolarHBondContact O-CD 3.39Å; I168-K172 WeakPolarHBondContact O-CE 3.27Å; I168-K172 PolarHBondContact O-NZ 3.49Å; K170-K172 PolarHBondContact O-N 3.34Å; K172-E176 HydrophobicContact CB-CB 4.16Å; K172-M180 HydrophobicContact CD-SD 4.35Å; K172-M180 PolarHBondContact NZ-SD 2.92Å | ||
| 173 | T | 80.1 | Confident | 77 | Confident | 81 Ų | 81 | 89.3 Ų | 89.3 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | trans | -65 | 163.2 | 173.8 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | E175 E176 R177 | T173-E175 PolarHBondContact O-N 3.12Å; T173-E176 WeakPolarHBondContact CB-OE2 3.36Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.45Å; T173-E176 PolarHBondContact N-OE2 3.01Å; T173-E176 PolarHBondContact O-N 3.12Å; T173-E176 VanDerWaalsContact OG1-CD 3.28Å; T173-E176 VanDerWaalsContact OG1-CG 3.29Å; T173-E176 WeakPolarHBondContact OG1-CG 3.39Å; T173-E176 PolarHBondContact OG1-N 2.93Å; T173-E176 PolarHBondContact OG1-OE2 3.2Å; T173-R177 WeakPolarHBondContact O-CB 3.41Å; T173-R177 PolarHBondContact O-N 3.32Å | ||
| 174 | G | 80.4 | Confident | 78.8 | Confident | 59 Ų | 59 | 88.2 Ų | 88.2 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.6 | -34.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q178 | G174-Q178 WeakPolarHBondContact O-CB 3.48Å; G174-Q178 PolarHBondContact O-N 2.85Å |
| 175 | E | 82.2 | Confident | 80.2 | Confident | 150 Ų | 150 | 94 Ų | 94 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74.4 | -45 | -179.9 | -59.4 | -170.8 | 163.4 | 0 | 0 | 112 | T173 R177 Q178 Q179 | T173-E175 PolarHBondContact O-N 3.12Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.97Å; E175-Q178 CarbonylContact O-C 3.58Å; E175-Q178 WeakPolarHBondContact O-CA 3.36Å; E175-Q178 WeakPolarHBondContact O-CB 3.38Å; E175-Q178 PolarHBondContact O-N 3.42Å; E175-Q179 WeakPolarHBondContact O-CG 3.34Å; E175-Q179 PolarHBondContact O-N 2.9Å |
| 176 | E | 82.9 | Confident | 81.5 | Confident | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.9 | -67.8 | 166.9 | 123.8 | 0 | 0 | 111.6 | K172 T173 Q178 Q179 M180 | K172-E176 HydrophobicContact CB-CB 4.16Å; T173-E176 WeakPolarHBondContact CB-OE2 3.36Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.45Å; T173-E176 PolarHBondContact N-OE2 3.01Å; T173-E176 PolarHBondContact O-N 3.12Å; T173-E176 VanDerWaalsContact OG1-CD 3.28Å; T173-E176 VanDerWaalsContact OG1-CG 3.29Å; T173-E176 WeakPolarHBondContact OG1-CG 3.39Å; T173-E176 PolarHBondContact OG1-N 2.93Å; T173-E176 PolarHBondContact OG1-OE2 3.2Å; E176-Q178 VanDerWaalsContact C-N 3.28Å; E176-Q178 PolarHBondContact O-N 3.45Å; E176-Q179 PolarHBondContact O-N 3.33Å; E176-M180 WeakPolarHBondContact O-CB 3.5Å; E176-M180 PolarHBondContact O-N 3.48Å |
| 177 | R | 83.5 | Confident | 82.8 | Confident | 110 Ų | 110 | 94.3 Ų | 94.3 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 171.3 | 178.2 | 176.9 | -61.9 | 164.1 | 3.3 | 110.9 | F169 T173 E175 M180 I181 | F169-R177 HydrophobicContact CD1-CB 4.42Å; F169-R177 HydrophobicContact CD1-CG 3.77Å; F169-R177 HydrophobicContact CE1-CG 4.22Å; F169-R177 PolarHBondContact O-NH2 2.84Å; T173-R177 WeakPolarHBondContact O-CB 3.41Å; T173-R177 PolarHBondContact O-N 3.32Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.97Å; R177-M180 PolarHBondContact O-N 2.9Å; R177-I181 HydrophobicContact CG-CD1 3.97Å; R177-I181 WeakPolarHBondContact O-CD1 3.27Å; R177-I181 VanDerWaalsContact O-CG1 3.27Å; R177-I181 WeakPolarHBondContact O-CG1 3.47Å; R177-I181 PolarHBondContact O-N 3.46Å |
| 178 | Q | 85.8 | Confident | 84 | Confident | 94 Ų | 94 | 95 Ų | 95 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.8 | -34.9 | -179.5 | -170.3 | 57.1 | 85 | 0 | 0 | 113 | G174 E175 E176 K182 | G174-Q178 WeakPolarHBondContact O-CB 3.48Å; G174-Q178 PolarHBondContact O-N 2.85Å; E175-Q178 CarbonylContact O-C 3.58Å; E175-Q178 WeakPolarHBondContact O-CA 3.36Å; E175-Q178 WeakPolarHBondContact O-CB 3.38Å; E175-Q178 PolarHBondContact O-N 3.42Å; E176-Q178 VanDerWaalsContact C-N 3.28Å; E176-Q178 PolarHBondContact O-N 3.45Å; Q178-K182 WeakPolarHBondContact O-CG 3.28Å; Q178-K182 PolarHBondContact O-N 3.37Å |
| 179 | Q | 88.6 | Confident | 85.2 | Confident | 130 Ų | 130 | 97.8 Ų | 97.8 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 172.1 | -69 | 179.2 | 21.1 | 0 | 0 | 111.4 | E175 E176 I181 K182 A183 | E175-Q179 WeakPolarHBondContact O-CG 3.34Å; E175-Q179 PolarHBondContact O-N 2.9Å; E176-Q179 PolarHBondContact O-N 3.33Å; Q179-I181 VanDerWaalsContact C-N 3.35Å; Q179-I181 PolarHBondContact O-N 2.86Å; Q179-K182 WeakPolarHBondContact O-CA 3.42Å; Q179-K182 WeakPolarHBondContact O-CB 3.46Å; Q179-K182 PolarHBondContact O-N 3.39Å; Q179-A183 PolarHBondContact O-N 3.11Å |
| 180 | M | 82.6 | Confident | 86.3 | Confident | 60 Ų | 60 | 100 Ų | 100 | 30% | 0.296 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 177.2 | -175.3 | 152.7 | -78.4 | 0 | 0 | 112.5 | I168 F169 K172 E176 R177 K182 A183 L184 | I168-M180 HydrophobicContact CG2-SD 3.49Å; I168-M180 WeakPolarHBondContact CG2-SD 3.31Å; F169-M180 HydrophobicContact CD1-SD 4.45Å; F169-M180 HydrophobicContact CE1-CB 4.03Å; F169-M180 HydrophobicContact CE1-CG 3.73Å; F169-M180 HydrophobicContact CE1-SD 4.18Å; F169-M180 HydrophobicContact CZ-CG 4.28Å; K172-M180 HydrophobicContact CD-SD 4.35Å; K172-M180 PolarHBondContact NZ-SD 2.92Å; E176-M180 WeakPolarHBondContact O-CB 3.5Å; E176-M180 PolarHBondContact O-N 3.48Å; R177-M180 PolarHBondContact O-N 2.9Å; M180-K182 VanDerWaalsContact C-N 3.31Å; M180-K182 PolarHBondContact O-N 3.35Å; M180-A183 PolarHBondContact O-N 2.69Å; M180-L184 HydrophobicContact CG-CD1 4.17Å; M180-L184 WeakPolarHBondContact O-CG 3.43Å; M180-L184 PolarHBondContact O-N 3.48Å |
| 181 | I | 88.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 25% | 0.251 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 172.3 | -69.7 | 164.3 | 0 | 0 | 0 | 111.7 | F169 R177 Q179 R185 | F169-I181 HydrophobicContact CE1-CG1 3.95Å; F169-I181 HydrophobicContact CZ-CG1 4.07Å; R177-I181 HydrophobicContact CG-CD1 3.97Å; R177-I181 WeakPolarHBondContact O-CD1 3.27Å; R177-I181 VanDerWaalsContact O-CG1 3.27Å; R177-I181 WeakPolarHBondContact O-CG1 3.47Å; R177-I181 PolarHBondContact O-N 3.46Å; Q179-I181 VanDerWaalsContact C-N 3.35Å; Q179-I181 PolarHBondContact O-N 2.86Å; I181-R185 WeakPolarHBondContact O-CB 3.5Å; I181-R185 VanDerWaalsContact O-CG 3.23Å; I181-R185 WeakPolarHBondContact O-CG 3.26Å; I181-R185 PolarHBondContact O-N 2.98Å |
| 182 | K | 92.6 | Very high | 88.3 | Confident | 139 Ų | 139 | 98.9 Ų | 98.9 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68 | -44 | 174.7 | -73.7 | 176.2 | 178.4 | -177 | 0 | 111.5 | Q178 Q179 M180 R185 E186 | Q178-K182 WeakPolarHBondContact O-CG 3.28Å; Q178-K182 PolarHBondContact O-N 3.37Å; Q179-K182 WeakPolarHBondContact O-CA 3.42Å; Q179-K182 WeakPolarHBondContact O-CB 3.46Å; Q179-K182 PolarHBondContact O-N 3.39Å; M180-K182 VanDerWaalsContact C-N 3.31Å; M180-K182 PolarHBondContact O-N 3.35Å; K182-R185 PolarHBondContact O-N 3.49Å; K182-E186 PolarHBondContact O-N 2.83Å; K182-E186 VanDerWaalsContact O-N 3.12Å |
| 183 | A | 90.4 | Very high | 89 | Confident | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q179 M180 R185 E186 E187 | Q179-A183 PolarHBondContact O-N 3.11Å; M180-A183 PolarHBondContact O-N 2.69Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.99Å; A183-E186 PolarHBondContact O-N 3.18Å; A183-E186 VanDerWaalsContact O-N 3.1Å; A183-E187 PolarHBondContact O-N 2.9Å |
| 184 | L | 92.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -30.3 | 178.4 | -69.4 | 168.2 | 0 | 0 | 0 | 113.2 | F169 M180 L188 | F169-L184 HydrophobicContact CZ-CD1 3.93Å; M180-L184 HydrophobicContact CG-CD1 4.17Å; M180-L184 WeakPolarHBondContact O-CG 3.43Å; M180-L184 PolarHBondContact O-N 3.48Å; L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 PolarHBondContact O-N 3.05Å |
| 185 | R | 87.4 | Confident | 90.4 | Very high | 172 Ų | 172 | 103.4 Ų | 103.4 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.2 | -37.5 | 173.3 | -77.9 | 173.5 | 179.7 | -170.2 | 0.9 | 112.6 | I181 K182 A183 R189 | I181-R185 WeakPolarHBondContact O-CB 3.5Å; I181-R185 VanDerWaalsContact O-CG 3.23Å; I181-R185 WeakPolarHBondContact O-CG 3.26Å; I181-R185 PolarHBondContact O-N 2.98Å; K182-R185 PolarHBondContact O-N 3.49Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.99Å; R185-R189 PolarHBondContact O-N 2.97Å |
| 186 | E | 93.4 | Very high | 91.1 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 38% | 0.383 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.8 | -39.3 | 176.4 | -176.5 | 56.4 | -160.4 | 0 | 0 | 111.3 | K182 A183 L188 R189 L190 | K182-E186 PolarHBondContact O-N 2.83Å; K182-E186 VanDerWaalsContact O-N 3.12Å; A183-E186 PolarHBondContact O-N 3.18Å; A183-E186 VanDerWaalsContact O-N 3.1Å; E186-L188 PolarHBondContact O-N 3.39Å; E186-R189 VanDerWaalsContact CD-NE 3.33Å; E186-R189 WeakPolarHBondContact O-CB 3.42Å; E186-R189 PolarHBondContact O-N 3.03Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 2.65Å; E186-R189 VanDerWaalsContact OE1-CZ 3.28Å; E186-R189 IonicContact OE1-NE 3.4Å; E186-R189 PolarHBondContact OE1-NE 2.66Å; E186-R189 VanDerWaalsContact OE1-NE 3.1Å; E186-R189 IonicContact OE1-NH2 3.61Å; E186-R189 PolarHBondContact OE1-NH2 2.7Å; E186-R189 IonicContact OE2-CZ 3.28Å; E186-R189 IonicContact OE2-NE 3.1Å; E186-R189 PolarHBondContact OE2-NE 3.4Å; E186-R189 IonicContact OE2-NH2 2.66Å; E186-L190 HydrophobicContact CG-CD1 4.48Å; E186-L190 WeakPolarHBondContact O-CG 3.09Å; E186-L190 PolarHBondContact O-N 3.14Å |
| 187 | E | 93.2 | Very high | 91.7 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 172.9 | -170.7 | 170.6 | -162.2 | 0 | 0 | 111.9 | A183 R189 L190 E191 | A183-E187 PolarHBondContact O-N 2.9Å; E187-R189 PolarHBondContact O-N 2.9Å; E187-L190 PolarHBondContact O-N 2.91Å; E187-E191 PolarHBondContact O-N 3.21Å |
| 188 | L | 95.5 | Very high | 92.2 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 171.6 | -180 | 63.6 | 0 | 0 | 0 | 111.9 | L184 E186 L190 E191 E192 | L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 PolarHBondContact O-N 3.05Å; E186-L188 PolarHBondContact O-N 3.39Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 3.21Å; L188-E191 PolarHBondContact O-N 2.98Å; L188-E192 HydrophobicContact CD1-CG 4.37Å; L188-E192 HydrophobicContact CG-CG 4.47Å; L188-E192 WeakPolarHBondContact O-CB 3.26Å; L188-E192 WeakPolarHBondContact O-CG 3.42Å; L188-E192 PolarHBondContact O-N 3.3Å |
| 189 | R | 94.6 | Very high | 92.7 | Very high | 132 Ų | 132 | 103.9 Ų | 103.9 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 177.9 | -166.2 | -171.5 | 74.5 | 81.7 | 1.5 | 112.1 | R185 E186 E187 A193 | R185-R189 PolarHBondContact O-N 2.97Å; E186-R189 VanDerWaalsContact CD-NE 3.33Å; E186-R189 WeakPolarHBondContact O-CB 3.42Å; E186-R189 PolarHBondContact O-N 3.03Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 2.65Å; E186-R189 VanDerWaalsContact OE1-CZ 3.28Å; E186-R189 IonicContact OE1-NE 3.4Å; E186-R189 PolarHBondContact OE1-NE 2.66Å; E186-R189 VanDerWaalsContact OE1-NE 3.1Å; E186-R189 IonicContact OE1-NH2 3.61Å; E186-R189 PolarHBondContact OE1-NH2 2.7Å; E186-R189 IonicContact OE2-CZ 3.28Å; E186-R189 IonicContact OE2-NE 3.1Å; E186-R189 PolarHBondContact OE2-NE 3.4Å; E186-R189 IonicContact OE2-NH2 2.66Å; E187-R189 PolarHBondContact O-N 2.9Å; R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 3.47Å |
| 190 | L | 94.8 | Very high | 92.9 | Very high | 97 Ų | 97 | 104.3 Ų | 104.3 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 176.8 | -70.2 | 170.5 | 0 | 0 | 0 | 111.9 | E186 E187 L188 A193 R194 | E186-L190 HydrophobicContact CG-CD1 4.48Å; E186-L190 WeakPolarHBondContact O-CG 3.09Å; E186-L190 PolarHBondContact O-N 3.14Å; E187-L190 PolarHBondContact O-N 2.91Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 3.21Å; L190-A193 PolarHBondContact O-N 3.39Å; L190-R194 WeakPolarHBondContact O-CB 3.28Å; L190-R194 PolarHBondContact O-N 2.87Å |
| 191 | E | 94.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 106 Ų | 106 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -35.4 | 175.1 | -82.7 | -61.4 | 145.1 | 0 | 0 | 112.7 | E187 L188 A193 R194 L195 | E187-E191 PolarHBondContact O-N 3.21Å; L188-E191 PolarHBondContact O-N 2.98Å; E191-A193 PolarHBondContact O-N 2.65Å; E191-R194 WeakPolarHBondContact O-CB 3.45Å; E191-R194 PolarHBondContact O-N 3.22Å; E191-R194 WeakPolarHBondContact OE1-CD 3.43Å; E191-R194 IonicContact OE1-CZ 3.02Å; E191-R194 IonicContact OE1-NE 2.61Å; E191-R194 IonicContact OE1-NH1 3.21Å; E191-R194 PolarHBondContact OE1-NH1 2.88Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E191-L195 WeakPolarHBondContact O-CB 3.44Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.02Å |
| 192 | E | 93.4 | Very high | 93.4 | Very high | 112 Ų | 112 | 112.7 Ų | 112.7 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 169.6 | -76.4 | -178.6 | 166.3 | 0 | 0 | 111.7 | L188 R194 L195 V196 | L188-E192 HydrophobicContact CD1-CG 4.37Å; L188-E192 HydrophobicContact CG-CG 4.47Å; L188-E192 WeakPolarHBondContact O-CB 3.26Å; L188-E192 WeakPolarHBondContact O-CG 3.42Å; L188-E192 PolarHBondContact O-N 3.3Å; E192-R194 PolarHBondContact O-N 3.46Å; E192-L195 PolarHBondContact O-N 2.9Å; E192-V196 WeakPolarHBondContact O-CG2 3.41Å; E192-V196 PolarHBondContact O-N 3.41Å |
| 193 | A | 91.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 111.6 Ų | 111.6 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R189 L190 E191 V196 L197 | R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 3.47Å; L190-A193 PolarHBondContact O-N 3.39Å; E191-A193 PolarHBondContact O-N 2.65Å; A193-V196 PolarHBondContact O-N 2.83Å; A193-L197 PolarHBondContact O-N 3.29Å |
| 194 | R | 95.8 | Very high | 92.9 | Very high | 146 Ų | 146 | 111.6 Ų | 111.6 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 174.9 | -168.6 | -174.7 | -166 | 163.1 | 4.1 | 111.8 | L190 E191 E192 V196 L197 L198 | L190-R194 WeakPolarHBondContact O-CB 3.28Å; L190-R194 PolarHBondContact O-N 2.87Å; E191-R194 WeakPolarHBondContact O-CB 3.45Å; E191-R194 PolarHBondContact O-N 3.22Å; E191-R194 WeakPolarHBondContact OE1-CD 3.43Å; E191-R194 IonicContact OE1-CZ 3.02Å; E191-R194 IonicContact OE1-NE 2.61Å; E191-R194 IonicContact OE1-NH1 3.21Å; E191-R194 PolarHBondContact OE1-NH1 2.88Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E192-R194 PolarHBondContact O-N 3.46Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 2.92Å; R194-L197 WeakPolarHBondContact O-CB 2.99Å; R194-L197 PolarHBondContact O-N 3.48Å; R194-L198 HydrophobicContact CG-CD1 4.26Å; R194-L198 WeakPolarHBondContact O-CG 3.42Å; R194-L198 PolarHBondContact O-N 3.21Å |
| 195 | L | 95.1 | Very high | 92.3 | Very high | 107 Ų | 107 | 113.7 Ų | 113.7 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 175.7 | -74.5 | 169.4 | 0 | 0 | 0 | 111.9 | E191 E192 L198 K199 | E191-L195 WeakPolarHBondContact O-CB 3.44Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.02Å; E192-L195 PolarHBondContact O-N 2.9Å; L195-L198 PolarHBondContact O-N 3.12Å; L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.3Å; L195-K199 PolarHBondContact O-N 3.29Å |
| 196 | V | 96.8 | Very high | 91.6 | Very high | 85 Ų | 85 | 110 Ų | 110 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 172.8 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | E192 A193 R194 K199 K200 | E192-V196 WeakPolarHBondContact O-CG2 3.41Å; E192-V196 PolarHBondContact O-N 3.41Å; A193-V196 PolarHBondContact O-N 2.83Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 2.92Å; V196-K199 PolarHBondContact O-N 3.43Å; V196-K200 PolarHBondContact O-N 3.4Å |
| 197 | L | 94.5 | Very high | 90.1 | Very high | 124 Ų | 124 | 111.7 Ų | 111.7 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | 175.9 | -167.8 | 82.3 | 0 | 0 | 0 | 111.4 | A193 R194 K199 K200 L201 | A193-L197 PolarHBondContact O-N 3.29Å; R194-L197 WeakPolarHBondContact O-CB 2.99Å; R194-L197 PolarHBondContact O-N 3.48Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3Å; L197-K200 PolarHBondContact O-N 3.45Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 3.25Å |
| 198 | L | 95.5 | Very high | 88.6 | Confident | 89 Ų | 89 | 113.5 Ų | 113.5 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 177.7 | -71.1 | 170.3 | 0 | 0 | 0 | 112 | R194 L195 L201 R202 | R194-L198 HydrophobicContact CG-CD1 4.26Å; R194-L198 WeakPolarHBondContact O-CG 3.42Å; R194-L198 PolarHBondContact O-N 3.21Å; L195-L198 PolarHBondContact O-N 3.12Å; L198-L201 PolarHBondContact O-N 2.88Å; L198-R202 WeakPolarHBondContact O-CB 3.39Å; L198-R202 PolarHBondContact O-N 3.08Å |
| 199 | K | 94.7 | Very high | 86.5 | Confident | 161 Ų | 161 | 113.9 Ų | 113.9 | 70% | 0.7 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 174.9 | -172.2 | 174.3 | -177.7 | 176.6 | 0 | 111.8 | L195 V196 L197 R202 Q203 | L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.3Å; L195-K199 PolarHBondContact O-N 3.29Å; V196-K199 PolarHBondContact O-N 3.43Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3Å; K199-R202 PolarHBondContact O-N 2.81Å; K199-Q203 WeakPolarHBondContact O-CB 3.31Å; K199-Q203 PolarHBondContact O-N 2.94Å |
| 200 | K | 92.8 | Very high | 84.5 | Confident | 139 Ų | 139 | 111.8 Ų | 111.8 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 173.8 | -78.3 | -171.4 | 174.9 | -174.8 | 0 | 112.4 | V196 L197 Q203 S204 | V196-K200 PolarHBondContact O-N 3.4Å; L197-K200 PolarHBondContact O-N 3.45Å; K200-Q203 PolarHBondContact O-N 2.9Å; K200-S204 WeakPolarHBondContact O-CB 3.34Å; K200-S204 PolarHBondContact O-N 2.61Å |
| 201 | L | 92.1 | Very high | 82.6 | Confident | 96 Ų | 96 | 112.5 Ų | 112.5 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.6 | -175.6 | 65.4 | 0 | 0 | 0 | 111.2 | L197 L198 Q203 S204 Q205 | L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.88Å; L201-Q203 PolarHBondContact O-N 3.31Å; L201-S204 PolarHBondContact O-N 2.96Å; L201-Q205 PolarHBondContact O-N 3.42Å |
| 202 | R | 89.6 | Confident | 80.4 | Confident | 190 Ų | 190 | 114.4 Ų | 114.4 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.5 | -41.4 | 175 | -172.1 | 175.6 | -179.9 | -179.3 | 0.2 | 112 | L198 K199 Q205 M206 | L198-R202 WeakPolarHBondContact O-CB 3.39Å; L198-R202 PolarHBondContact O-N 3.08Å; K199-R202 PolarHBondContact O-N 2.81Å; R202-Q205 PolarHBondContact O-N 2.89Å; R202-M206 WeakPolarHBondContact O-CG 3.21Å; R202-M206 PolarHBondContact O-N 2.8Å |
| 203 | Q | 87.1 | Confident | 78.3 | Confident | 116 Ų | 116 | 116.1 Ų | 116.1 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.8 | -40.9 | 175.2 | -172.8 | 174.8 | 38 | 0 | 0 | 112 | K199 K200 L201 M206 Q207 | K199-Q203 WeakPolarHBondContact O-CB 3.31Å; K199-Q203 PolarHBondContact O-N 2.94Å; K200-Q203 PolarHBondContact O-N 2.9Å; L201-Q203 PolarHBondContact O-N 3.31Å; Q203-M206 PolarHBondContact O-N 3.23Å; Q203-Q207 WeakPolarHBondContact O-CB 3.43Å; Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 2.87Å |
| 204 | S | 85.8 | Confident | 76.2 | Confident | 57 Ų | 57 | 121.5 Ų | 121.5 | 40% | 0.399 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -39.9 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | K200 L201 Q207 K208 | K200-S204 WeakPolarHBondContact O-CB 3.34Å; K200-S204 PolarHBondContact O-N 2.61Å; L201-S204 PolarHBondContact O-N 2.96Å; S204-Q207 PolarHBondContact O-N 3.22Å; S204-K208 PolarHBondContact O-N 2.96Å |
| 205 | Q | 81 | Confident | 73 | Confident | 126 Ų | 126 | 120.5 Ų | 120.5 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.9 | -47.9 | 173.8 | -70.7 | -174.5 | 41.6 | 0 | 0 | 111.7 | L201 R202 Q207 K208 E209 | L201-Q205 PolarHBondContact O-N 3.42Å; R202-Q205 PolarHBondContact O-N 2.89Å; Q205-Q207 VanDerWaalsContact C-N 3.28Å; Q205-Q207 PolarHBondContact O-N 2.86Å; Q205-K208 PolarHBondContact O-N 2.95Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; Q205-E209 PolarHBondContact O-N 2.9Å |
| 206 | M | 71.1 | Confident | 70.4 | Confident | 95 Ų | 95 | 121.1 Ų | 121.1 | 47% | 0.468 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.7 | -30.1 | 177.5 | -69.8 | -131.7 | 69.5 | 0 | 0 | 113.6 | R202 Q203 N210 | R202-M206 WeakPolarHBondContact O-CG 3.21Å; R202-M206 PolarHBondContact O-N 2.8Å; Q203-M206 PolarHBondContact O-N 3.23Å; M206-N210 PolarHBondContact O-N 3.41Å; M206-N210 VanDerWaalsContact O-N 3.17Å; M206-N210 PolarHBondContact O-ND2 2.87Å |
| 207 | Q | 62.2 | Low | 67.7 | Low | 116 Ų | 116 | 124.6 Ų | 124.6 | 54% | 0.542 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.9 | -39.1 | 173.2 | -76.5 | 174.9 | -12 | 0 | 0 | 112.4 | Q203 S204 Q205 E209 N210 V211 | Q203-Q207 WeakPolarHBondContact O-CB 3.43Å; Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 2.87Å; S204-Q207 PolarHBondContact O-N 3.22Å; Q205-Q207 VanDerWaalsContact C-N 3.28Å; Q205-Q207 PolarHBondContact O-N 2.86Å; Q207-E209 VanDerWaalsContact C-N 3.32Å; Q207-E209 PolarHBondContact O-N 2.79Å; Q207-N210 PolarHBondContact O-N 3.06Å; Q207-V211 WeakPolarHBondContact O-CG2 3.37Å; Q207-V211 PolarHBondContact O-N 3.17Å |
| 208 | K | 61.3 | Low | 64.8 | Low | 159 Ų | 159 | 125.4 Ų | 125.4 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62 | -39.4 | 173 | -81.6 | -173.8 | 172.2 | -176 | 0 | 112.1 | S204 Q205 V211 | S204-K208 PolarHBondContact O-N 2.96Å; Q205-K208 PolarHBondContact O-N 2.95Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; K208-V211 PolarHBondContact O-N 3.22Å |
| 209 | E | 53.1 | Low | 61.8 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 51% | 0.505 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.3 | -43 | 176.6 | -167 | 179 | 177.4 | 0 | 0 | 112.3 | Q205 Q207 V211 V212 | Q205-E209 PolarHBondContact O-N 2.9Å; Q207-E209 VanDerWaalsContact C-N 3.32Å; Q207-E209 PolarHBondContact O-N 2.79Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-V211 PolarHBondContact O-N 3.35Å; E209-V212 PolarHBondContact O-N 2.86Å |
| 210 | N | 52 | Low | 58.8 | Low | 88 Ų | 88 | 122.5 Ų | 122.5 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.2 | -25.8 | 178.8 | -91.8 | -96.7 | 0 | 0 | 0 | 114.4 | M206 Q207 | M206-N210 PolarHBondContact O-N 3.41Å; M206-N210 VanDerWaalsContact O-N 3.17Å; M206-N210 PolarHBondContact O-ND2 2.87Å; Q207-N210 PolarHBondContact O-N 3.06Å |
| 211 | V | 53.9 | Low | 56 | Low | 112 Ų | 112 | 122.8 Ų | 122.8 | 68% | 0.679 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.6 | -31.7 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | Q207 K208 E209 | Q207-V211 WeakPolarHBondContact O-CG2 3.37Å; Q207-V211 PolarHBondContact O-N 3.17Å; K208-V211 PolarHBondContact O-N 3.22Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-V211 PolarHBondContact O-N 3.35Å |
| 212 | V | 49 | Very low | 53.3 | Low | 121 Ų | 121 | 123.1 Ų | 123.1 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.8 | -26.5 | -179.3 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | E209 | E209-V212 PolarHBondContact O-N 2.86Å |
| 213 | Q | 49.9 | Very low | 50.6 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -0.1 | -178.3 | -70.3 | -177.4 | -4.7 | 0 | 0 | 115.1 | ||
| 214 | K | 46.4 | Very low | 47.8 | Very low | 168 Ų | 168 | 118.3 Ų | 118.3 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | trans | -123.8 | 73.9 | -176.5 | -70.6 | -172.3 | 178.3 | -179.7 | 0 | 113.5 | ||||
| 215 | T | 29.6 | Very low | 45.2 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | trans | -130.5 | 107.6 | 163.9 | -44.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 216 | P | 39.7 | Very low | 42.7 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -81.6 | 145.8 | -178.8 | 31.6 | -33.3 | 0 | 0 | 0 | 113 | ||||
| 217 | L | 41.2 | Very low | 40.7 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -65.6 | 125.4 | 173.8 | 174 | 76 | 0 | 0 | 0 | 112.5 | ||||
| 218 | V | 33.7 | Very low | 40.2 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -142.2 | 146.8 | 157.9 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 219 | T | 31.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | -119.3 | 141.9 | -157.8 | -55.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 220 | G | 33.2 | Very low | 38.7 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | trans | 101.5 | 146.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 221 | V | 33.9 | Very low | 37.6 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | cis | -159.6 | 151.4 | -5 | -98.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 222 | A | 34.6 | Very low | 36.6 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 128.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 223 | A | 32.1 | Very low | 35.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -158.9 | -168.3 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 224 | C | 29.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 72% | 0.716 | 78% | 0.78 | S | S | * | * | cis | -156.6 | 160 | 9.3 | 69 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 225 | I | 31.3 | Very low | 34 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 47.6 | 91.8 | 142.9 | -57.6 | 167.5 | 0 | 0 | 0 | 119.8 | ||||
| 226 | K | 27.7 | Very low | 34.1 | Very low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | 164.6 | 139.5 | 104.7 | -103.5 | 155.8 | -171.9 | 178.8 | 0 | 114.3 | |||||
| 227 | T | 30.3 | Very low | 33.6 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -160.3 | 179.2 | 179.7 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 228 | P | 51.9 | Low | 33.2 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | cis | -106.1 | -121.2 | -30.5 | 42 | -28.1 | 0 | 0 | 0 | 107.7 | ||||
| 229 | P | 47.8 | Very low | 33 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -77.2 | -175.6 | -26.9 | -9.3 | 30.9 | 0 | 0 | 0 | 112.2 | ||||
| 230 | I | 33.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 65% | 0.646 | 80% | 0.797 | S | S | * | * | cis | 89.5 | 114.8 | 5.2 | -49.3 | 175.4 | 0 | 0 | 0 | 118.6 | F232 | I230-F232 HydrophobicContact CG2-CD2 4.22Š| ||
| 231 | N | 29.9 | Very low | 32.7 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -153.7 | 159.8 | 137.6 | -116.1 | -19.2 | 0 | 0 | 0 | 111.8 | ||||
| 232 | F | 32 | Very low | 32.5 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -122.8 | 156.7 | -153.5 | -118 | -94.5 | 0 | 0 | 0 | 115.4 | I230 | I230-F232 HydrophobicContact CG2-CD2 4.22Š| ||
| 233 | G | 27.3 | Very low | 32.5 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 96.3 | 165.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 234 | S | 30.1 | Very low | 33.1 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | cis | -168.9 | 148.5 | -22.6 | -154.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 235 | Q | 33.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 68.2 | 125.6 | 153.8 | -59.6 | -114.1 | 67.3 | 0 | 0 | 123 | ||||
| 236 | S | 32.2 | Very low | 33 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 68 | 140.1 | 133 | 71.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 237 | G | 29.5 | Very low | 33.2 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 155.8 | 103.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 238 | L | 32 | Very low | 33.2 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -80.7 | 147.9 | 178.2 | -61.8 | 158.1 | 0 | 0 | 0 | 112.2 | ||||
| 239 | R | 30.7 | Very low | 32 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | 161.5 | 162.3 | 109 | -83.5 | -172.1 | -151.5 | -129.4 | 6.1 | 114.8 | |||||
| 240 | F | 28.8 | Very low | 31.3 | Very low | 208 Ų | 208 | 139.4 Ų | 139.4 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -60.3 | 158.8 | -177.8 | -76.7 | -112 | 0 | 0 | 0 | 116.1 | ||||
| 241 | G | 28.6 | Very low | 31 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -169.5 | 105.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 242 | V | 30.8 | Very low | 31.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -97.8 | 150.2 | -179.8 | 169 | 0 | 0 | 0 | 0 | 110 | ||||
| 243 | I | 32.5 | Very low | 31.3 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -34.4 | 174.7 | 166.2 | 18 | 175.1 | 0 | 0 | 0 | 115.9 | ||||
| 244 | P | 46.7 | Very low | 31.3 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | cis | -150.4 | -171.8 | 13.7 | 24.2 | 5.4 | 0 | 0 | 0 | 119.2 | ||||
| 245 | F | 28.2 | Very low | 31.2 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | 77.8 | 136.6 | 143.1 | -85 | -62.9 | 0 | 0 | 0 | 122.9 | ||||
| 246 | G | 28.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -179.2 | 122.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 247 | I | 33.3 | Very low | 31 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -137.2 | 123.9 | -170.2 | 10.5 | 169.4 | 0 | 0 | 0 | 111.1 | ||||
| 248 | Q | 29.5 | Very low | 31 | Very low | 204 Ų | 204 | 150.5 Ų | 150.5 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | 163.8 | 150 | 158.3 | -94.7 | 158 | 7.1 | 0 | 0 | 106.7 | ||||
| 249 | G | 27.6 | Very low | 31 | Very low | 64 Ų | 64 | 151.1 Ų | 151.1 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | cis | 139 | 151.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 250 | V | 31.9 | Very low | 31.1 | Very low | 147 Ų | 147 | 149 Ų | 149 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 84.8 | 119.6 | 172.1 | -168 | 0 | 0 | 0 | 0 | 118 | ||||
| 251 | Q | 27.9 | Very low | 31.1 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -106.9 | 156.8 | 151.8 | -97.8 | -79.6 | 75.4 | 0 | 0 | 106 | ||||
| 252 | P | 41.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | -163.4 | 170.7 | 68.4 | 44.3 | -22.2 | 0 | 0 | 0 | 120.9 | |||||
| 253 | E | 26.4 | Very low | 31.5 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 58% | 0.575 | 77% | 0.771 | S | S | * | * | trans | 80.6 | 144.7 | 134.4 | -79.5 | -87.5 | 52.6 | 0 | 0 | 126.1 | ||||
| 254 | Y | 26.8 | Very low | 31.4 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 66% | 0.659 | 77% | 0.77 | S | S | * | * | trans | 46.6 | 126.5 | 167.8 | -55.3 | -71.3 | 0 | 0 | 0 | 122 | ||||
| 255 | H | 28.5 | Very low | 30.7 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | -167.6 | 157 | 69.7 | -96 | 88.2 | 0 | 0 | 0 | 115.6 | |||||
| 256 | H | 30.1 | Very low | 30.8 | Very low | 173 Ų | 173 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 150.8 | 174.9 | -87 | -100.8 | 0 | 0 | 0 | 115.7 | ||||
| 257 | R | 30.4 | Very low | 30.9 | Very low | 242 Ų | 242 | 152.1 Ų | 152.1 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | -160.5 | 156.5 | 117.9 | -122.7 | 179.9 | -174.1 | 177.4 | 3.2 | 116.2 | |||||
| 258 | T | 30.6 | Very low | 30.8 | Very low | 114 Ų | 114 | 150 Ų | 150 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -88.4 | 155.4 | -177.7 | 34.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 259 | L | 31.5 | Very low | 30.8 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | -175 | 157.7 | 124.4 | -101.4 | 161.2 | 0 | 0 | 0 | 113.3 | |||||
| 260 | Q | 32.4 | Very low | 31 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -92.7 | 156.1 | 179.4 | -64.3 | 169.7 | -43 | 0 | 0 | 111.9 | ||||
| 261 | G | 29.9 | Very low | 31 | Very low | 66 Ų | 66 | 149 Ų | 149 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 139 | 121.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 262 | H | 32.6 | Very low | 31.5 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 74 | 99.2 | 138 | -74.6 | -96.1 | 0 | 0 | 0 | 123.4 | ||||
| 263 | T | 34.1 | Very low | 31.7 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | 58.8 | 123.5 | 120.3 | 54.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 264 | V | 31.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 92.5 | 112.2 | 131.6 | 170.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 265 | I | 32.1 | Very low | 33.4 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 60.4 | 115.3 | 148.9 | -62.2 | 170.3 | 0 | 0 | 0 | 120.6 | ||||
| 266 | R | 29.2 | Very low | 34.3 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | -169.7 | 150.3 | 109.7 | -136.6 | 169.1 | -177.8 | 154.9 | -0.9 | 113.1 | |||||
| 267 | S | 31.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -90.9 | 148.2 | -178.9 | -41.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 268 | A | 31 | Very low | 34.9 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -160.7 | 156 | 153.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 269 | N | 30.2 | Very low | 35 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -95.5 | 154.7 | -166.5 | -48.9 | -35.8 | 0 | 0 | 0 | 114.3 | ||||
| 270 | T | 31.1 | Very low | 35.3 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | 170.4 | 106.8 | 129.2 | 26.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 271 | S | 31.7 | Very low | 35.2 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | 86.7 | 100 | 88.8 | 72.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 272 | L | 39.4 | Very low | 35.5 | Very low | 170 Ų | 170 | 150 Ų | 150 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 152.3 | 164.3 | -72.4 | 168.7 | 0 | 0 | 0 | 110.2 | ||
| 273 | P | 44.6 | Very low | 35.3 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 154.7 | -174.7 | 31.3 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 274 | P | 43.4 | Very low | 35.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 138.2 | -173.3 | 33.4 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 275 | M | 45.1 | Very low | 35.7 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 138.7 | 159.8 | -71.6 | -160.8 | 72.8 | 0 | 0 | 110.6 | ||
| 276 | L | 47.3 | Very low | 36 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75 | 144.8 | -169.3 | -68 | 169.3 | 0 | 0 | 0 | 113.1 | ||
| 277 | M | 41.5 | Very low | 36.2 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 145.4 | 178.6 | -71.7 | -84 | 150.8 | 0 | 0 | 112.9 | ||
| 278 | S | 33.1 | Very low | 36.2 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -116.4 | 139.3 | 148.6 | -161.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 279 | Q | 31.6 | Very low | 36.4 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -77.4 | 152.6 | -162.9 | -71.9 | -179.1 | 46.8 | 0 | 0 | 113.9 | ||||
| 280 | R | 37 | Very low | 36.6 | Very low | 203 Ų | 203 | 146.4 Ų | 146.4 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -76.2 | 153.6 | 175.8 | -49.9 | 168.6 | -164.2 | 158.7 | 6.3 | 110.9 | I282 | R280-I282 HydrophobicContact CB-CG1 3.85Å; R280-I282 HydrophobicContact CG-CG1 4.41Å | ||
| 281 | V | 30.8 | Very low | 36.6 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -111.2 | 122.6 | 137.7 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 282 | I | 37.7 | Very low | 36.5 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 61% | 0.61 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93 | 131.6 | -173.3 | -65.9 | 163.1 | 0 | 0 | 0 | 109.4 | R280 | R280-I282 HydrophobicContact CB-CG1 3.85Å; R280-I282 HydrophobicContact CG-CG1 4.41Å |
| 283 | A | 28.4 | Very low | 36.1 | Very low | 92 Ų | 92 | 148 Ų | 148 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 136.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 284 | P | 39.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 141.8 | -175.2 | 32.2 | -34.3 | 0 | 0 | 0 | 112.9 | ||
| 285 | S | 33.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 140.8 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 286 | P | 38.5 | Very low | 34 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 128.4 | -179.3 | 34.4 | -31.5 | 0 | 0 | 0 | 112.5 | ||
| 287 | S | 32.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -169.3 | 157.9 | 158.8 | -84.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 288 | Q | 31.9 | Very low | 32.7 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 76 | 100.1 | 178.3 | -55.7 | -70.5 | 5.1 | 0 | 0 | 117 | ||||
| 289 | L | 36.6 | Very low | 32.5 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | -158.3 | 126.8 | 128.2 | -108.8 | 172 | 0 | 0 | 0 | 110.3 | |||||
| 290 | Q | 33 | Very low | 32.9 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -120.4 | 124.6 | 179.2 | 175.5 | -179.7 | 3.5 | 0 | 0 | 107.7 | ||||
| 291 | G | 31.3 | Very low | 33.5 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 177.5 | 85.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 292 | Q | 29.7 | Very low | 33.5 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 55.4 | 125.9 | 142.5 | -76.4 | -163.3 | 31.4 | 0 | 0 | 124.5 | ||||
| 293 | R | 30.5 | Very low | 33.2 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | 71.5 | 146.8 | 136.9 | -66.1 | -152.7 | -92.3 | -165.7 | -0.3 | 117.8 | ||||
| 294 | V | 30.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | cis | -142.3 | 154.9 | 14.3 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 295 | S | 29.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 6.8 | 146.3 | 152.6 | -150.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 296 | S | 29.5 | Very low | 32.8 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -166.6 | 150.3 | 40.3 | -44.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 297 | K | 31.2 | Very low | 32.5 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 31.8 | 140 | 134.4 | -98.5 | -179.2 | 179.5 | 178.5 | 0 | 120.6 | ||||
| 298 | T | 30.4 | Very low | 32.4 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | cis | -165.9 | 162.4 | 12.6 | -32.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 299 | G | 28.4 | Very low | 32.3 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 137 | 114.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 300 | M | 39.6 | Very low | 32 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -89 | 166.6 | -178.9 | -110.5 | 85 | 92 | 0 | 0 | 113.7 | ||||
| 301 | P | 50.9 | Low | 31.8 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -96.8 | 175 | -169.2 | 40 | -38.1 | 0 | 0 | 0 | 114 | ||||
| 302 | R | 30.4 | Very low | 31.7 | Very low | 249 Ų | 249 | 133.8 Ų | 133.8 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | trans | -167.9 | 142.4 | 141.7 | -108.5 | 157.8 | -177.6 | -171.6 | -1 | 112.6 | ||||
| 303 | S | 31.8 | Very low | 31.6 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -130.3 | 135.6 | 171.1 | -60 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 304 | S | 30 | Very low | 31.4 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -165.2 | 145.7 | 172.7 | 52.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 305 | S | 31.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | 176 | 154.8 | -0.7 | 167.3 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 306 | S | 31.3 | Very low | 31.3 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 57.9 | 120.3 | 148 | 54.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 307 | S | 31 | Very low | 31.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | 99.2 | 113.7 | 118.4 | -70 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 308 | M | 31.6 | Very low | 31 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | 72.5 | 152.5 | 122.5 | -53.2 | -54.3 | 164.3 | 0 | 0 | 124 | |||||
| 309 | T | 29.1 | Very low | 31.1 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | 75.6 | 121.4 | 164.7 | 64.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 310 | S | 29.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | 72.9 | 147.5 | 81.7 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 311 | A | 29.7 | Very low | 30.6 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | cis | -171.8 | 175.4 | -23.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 312 | V | 29.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 71.8 | 108.4 | 158.6 | -174.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 313 | N | 27.6 | Very low | 29.5 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | 41.1 | 135.1 | 126 | -160.3 | 46.1 | 0 | 0 | 0 | 122.7 | |||||
| 314 | Y | 26 | Very low | 29.3 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 166.8 | 107.4 | 126.2 | -101.4 | -87.3 | 0 | 0 | 0 | 107.1 | |||||
| 315 | Q | 27.7 | Very low | 29.6 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | 78.3 | 116.5 | 88.4 | -128.7 | -171 | -37.5 | 0 | 0 | 115.9 | |||||
| 316 | Q | 29.2 | Very low | 29.6 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 83.2 | 106.8 | 136 | -152.2 | 154.6 | -5.2 | 0 | 0 | 122.7 | ||||
| 317 | A | 26.3 | Very low | 29.6 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | 82.4 | 134.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 318 | S | 29.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 103.2 | 153.5 | 136.2 | 81.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 319 | Q | 31.1 | Very low | 29.7 | Very low | 171 Ų | 171 | 134 Ų | 134 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 74.6 | 95.7 | 174.8 | -60.8 | 164.9 | 73.9 | 0 | 0 | 114.6 | ||||
| 320 | Q | 30.3 | Very low | 29.9 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | 56.5 | 101.8 | 71.5 | -67.1 | -167.9 | -22.7 | 0 | 0 | 114.6 | |||||
| 321 | V | 28.6 | Very low | 30.2 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -138.5 | 129.9 | 135.8 | -174 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 322 | A | 29.3 | Very low | 30.5 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -97.2 | 144 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 323 | A | 28.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -152.6 | 131 | 163 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 324 | S | 28.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | 65.4 | 102.6 | 157.4 | -60.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 325 | Q | 35.7 | Very low | 31.4 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 151.2 | 151.7 | -55.1 | -178.5 | 35.6 | 0 | 0 | 111.3 | ||||
| 326 | R | 30.7 | Very low | 31.7 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | -164.7 | 150.3 | 124.1 | -111 | 175.7 | 179.2 | -130.5 | -1.4 | 112.8 | |||||
| 327 | S | 31.8 | Very low | 32 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -59.7 | 171.7 | -179.8 | -38.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 328 | S | 28.7 | Very low | 32.4 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | cis | -163.8 | 151.1 | 24.3 | -162.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 329 | S | 35.8 | Very low | 32.7 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | 39.9 | 117.5 | 143.4 | 60.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 330 | S | 34.5 | Very low | 32.9 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 92% | 0.923 | 82% | 0.822 | S | S | * | * | -163.8 | 165 | 106.2 | -162.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 331 | A | 36.2 | Very low | 32.9 | Very low | 77 Ų | 77 | 144 Ų | 144 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -125.5 | 177.7 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 332 | M | 34.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 142 Ų | 142 | 84% | 0.837 | 82% | 0.818 | S | S | * | * | trans | 70.2 | 101 | 161.8 | -50.2 | -53.4 | -157.3 | 0 | 0 | 118.5 | ||||
| 333 | Y | 34.5 | Very low | 33.5 | Very low | 240 Ų | 240 | 142 Ų | 142 | 94% | 0.941 | 82% | 0.818 | S | S | * | * | -155.4 | 147.1 | 112.1 | -126.5 | -93.9 | 0 | 0 | 0 | 111.1 | |||||
| 334 | M | 36.1 | Very low | 34.1 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -70.8 | 142.5 | -167.7 | -73 | -73.2 | -139.8 | 0 | 0 | 113.9 | ||||
| 335 | N | 32.1 | Very low | 34.3 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -111.6 | 118 | 164.3 | -157.2 | -53.4 | 0 | 0 | 0 | 109 | A337 | N335-A337 PolarHBondContact O-N 2.96Å; N335-A337 VanDerWaalsContact O-N 3.14Å | ||
| 336 | L | 33.5 | Very low | 34.3 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -83.4 | 89.2 | -173.7 | -178.1 | 62.9 | 0 | 0 | 0 | 110.5 | ||||
| 337 | A | 34.8 | Very low | 34.4 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | trans | -107.2 | 128 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N335 | N335-A337 PolarHBondContact O-N 2.96Å; N335-A337 VanDerWaalsContact O-N 3.14Å | ||
| 338 | H | 35.1 | Very low | 34.8 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 54.5 | 106.5 | 142.7 | -155.2 | 54.9 | 0 | 0 | 0 | 118.4 | ||||
| 339 | M | 36.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | trans | -129.5 | 153.9 | 167.7 | -155.7 | 177.1 | 75.1 | 0 | 0 | 111.2 | ||||
| 340 | Q | 35.2 | Very low | 35.6 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | 76.1 | 129.3 | 170 | -78.1 | 158.5 | -30.4 | 0 | 0 | 117.4 | ||||
| 341 | A | 31.1 | Very low | 35.9 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | cis | -154.9 | 142 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 342 | A | 33.7 | Very low | 36.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -141.8 | 120.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 343 | A | 36.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -136.8 | 125.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 344 | A | 40.3 | Very low | 37.1 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | 74.7 | 106.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 345 | V | 33.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 117.2 Ų | 117.2 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | 69.6 | 120.1 | 124.9 | -176 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 346 | G | 35.2 | Very low | 38.3 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | 134.9 | 118 | 122.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 347 | A | 33.1 | Very low | 39.2 | Very low | 109 Ų | 109 | 110.3 Ų | 110.3 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | 73.4 | 145.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 348 | S | 40.6 | Very low | 40 | Very low | 132 Ų | 132 | 110 Ų | 110 | 92% | 0.923 | 77% | 0.767 | S | S | * | * | trans | -75.3 | 144.1 | 179.4 | -52 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 349 | G | 34.4 | Very low | 40.9 | Very low | 76 Ų | 76 | 108.1 Ų | 108.1 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | 178.9 | 119.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 350 | V | 46.1 | Very low | 42 | Very low | 139 Ų | 139 | 103.8 Ų | 103.8 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | -86.6 | 125.6 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 351 | T | 41.2 | Very low | 43.2 | Very low | 130 Ų | 130 | 101.2 Ų | 101.2 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 156.6 | 146.5 | 134.9 | 42 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 352 | A | 47.3 | Very low | 44.8 | Very low | 95 Ų | 95 | 100.1 Ų | 100.1 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 49.2 | 90.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 353 | S | 39.9 | Very low | 46.5 | Very low | 105 Ų | 105 | 97.6 Ų | 97.6 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | trans | -158.3 | 53.8 | 154.6 | -81.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 354 | G | 43.4 | Very low | 48.5 | Very low | 71 Ų | 71 | 96.4 Ų | 96.4 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | trans | -83.7 | -14.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 355 | A | 45.5 | Very low | 50.1 | Low | 85 Ų | 85 | 95.7 Ų | 95.7 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -93 | -25.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 356 | V | 47.8 | Very low | 52 | Low | 117 Ų | 117 | 91.5 Ų | 91.5 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.6 | -30.8 | -175.2 | -168 | 0 | 0 | 0 | 0 | 111.6 | S358 | V356-S358 PolarHBondContact O-N 3.46Å |
| 357 | S | 51.7 | Low | 54 | Low | 64 Ų | 64 | 91.2 Ų | 91.2 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64 | -36.9 | -178.6 | -40 | 0 | 0 | 0 | 0 | 113.2 | M359 A360 D361 | S357-M359 PolarHBondContact O-N 2.92Å; S357-A360 PolarHBondContact O-N 3.01Å; S357-D361 PolarHBondContact O-N 2.94Å |
| 358 | S | 51.7 | Low | 56.3 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.6 | -33.9 | -173.9 | -167.7 | 0 | 0 | 0 | 0 | 113.3 | V356 Q362 | V356-S358 PolarHBondContact O-N 3.46Å; S358-Q362 WeakPolarHBondContact O-CG 3.17Å; S358-Q362 PolarHBondContact O-N 3.28Å |
| 359 | M | 53.8 | Low | 57.9 | Low | 148 Ų | 148 | 84.5 Ų | 84.5 | 73% | 0.729 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.5 | -34.6 | 172.6 | -72.1 | -128.5 | -90.1 | 0 | 0 | 112.3 | S357 Q362 A363 | S357-M359 PolarHBondContact O-N 2.92Å; M359-Q362 PolarHBondContact O-N 3.4Å; M359-A363 WeakPolarHBondContact O-CB 3.3Å; M359-A363 PolarHBondContact O-N 3.42Å |
| 360 | A | 59.3 | Low | 59.9 | Low | 61 Ų | 61 | 83.8 Ų | 83.8 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.9 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S357 A363 S364 | S357-A360 PolarHBondContact O-N 3.01Å; A360-A363 PolarHBondContact O-N 3.37Å; A360-S364 VanDerWaalsContact O-CB 3.25Å; A360-S364 WeakPolarHBondContact O-CB 3.38Å; A360-S364 PolarHBondContact O-N 2.87Å |
| 361 | D | 61.3 | Low | 61.3 | Low | 111 Ų | 111 | 81.8 Ų | 81.8 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 174.8 | -83.5 | -37.8 | 0 | 0 | 0 | 112.5 | S357 S364 S365 | S357-D361 PolarHBondContact O-N 2.94Å; D361-S364 PolarHBondContact O-N 3.26Å; D361-S365 WeakPolarHBondContact O-CB 3.42Å; D361-S365 PolarHBondContact O-N 2.66Å |
| 362 | Q | 65.5 | Low | 63.2 | Low | 72 Ų | 72 | 78.4 Ų | 78.4 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 172.4 | -78.1 | -174 | 2.3 | 0 | 0 | 111.9 | S358 M359 S364 S365 Q366 | S358-Q362 WeakPolarHBondContact O-CG 3.17Å; S358-Q362 PolarHBondContact O-N 3.28Å; M359-Q362 PolarHBondContact O-N 3.4Å; Q362-S364 PolarHBondContact O-N 2.98Å; Q362-S365 PolarHBondContact O-N 2.8Å; Q362-Q366 WeakPolarHBondContact O-CB 3.46Å; Q362-Q366 PolarHBondContact O-N 3.5Å |
| 363 | A | 69.1 | Low | 64.5 | Low | 55 Ų | 55 | 74.5 Ų | 74.5 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | M359 A360 Q366 A367 | M359-A363 WeakPolarHBondContact O-CB 3.3Å; M359-A363 PolarHBondContact O-N 3.42Å; A360-A363 PolarHBondContact O-N 3.37Å; A363-Q366 PolarHBondContact O-N 3.05Å; A363-A367 PolarHBondContact O-N 3.45Å |
| 364 | S | 76.9 | Confident | 66.1 | Low | 74 Ų | 74 | 76.5 Ų | 76.5 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 174.4 | -176 | 0 | 0 | 0 | 0 | 111.8 | A360 D361 Q362 Q366 A367 A368 | A360-S364 VanDerWaalsContact O-CB 3.25Å; A360-S364 WeakPolarHBondContact O-CB 3.38Å; A360-S364 PolarHBondContact O-N 2.87Å; D361-S364 PolarHBondContact O-N 3.26Å; Q362-S364 PolarHBondContact O-N 2.98Å; S364-Q366 PolarHBondContact O-N 3Å; S364-A367 PolarHBondContact O-N 3.21Å; S364-A368 WeakPolarHBondContact O-CB 3.29Å; S364-A368 PolarHBondContact O-N 3.18Å |
| 365 | S | 75.7 | Confident | 67.9 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.7 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | D361 Q362 A368 A369 | D361-S365 WeakPolarHBondContact O-CB 3.42Å; D361-S365 PolarHBondContact O-N 2.66Å; Q362-S365 PolarHBondContact O-N 2.8Å; S365-A368 PolarHBondContact O-N 3.05Å; S365-A369 WeakPolarHBondContact O-CB 3.48Å; S365-A369 PolarHBondContact O-N 3.42Å |
| 366 | Q | 71.8 | Confident | 69 | Low | 62 Ų | 62 | 81.2 Ų | 81.2 | 29% | 0.29 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 173.2 | -171.8 | 169.5 | 11 | 0 | 0 | 112 | Q362 A363 S364 A369 K370 E493 L496 | Q362-Q366 WeakPolarHBondContact O-CB 3.46Å; Q362-Q366 PolarHBondContact O-N 3.5Å; A363-Q366 PolarHBondContact O-N 3.05Å; S364-Q366 PolarHBondContact O-N 3Å; Q366-A369 PolarHBondContact O-N 2.82Å; Q366-K370 VanDerWaalsContact O-CB 3.31Å; Q366-K370 WeakPolarHBondContact O-CB 3.42Å; Q366-K370 PolarHBondContact O-N 2.89Å; Q366-E493 PolarHBondContact NE2-OE1 3.2Å; Q366-L496 HydrophobicContact CB-CD2 3.5Å; Q366-L496 HydrophobicContact CG-CD2 3.3Å |
| 367 | A | 77.9 | Confident | 69.9 | Low | 61 Ų | 61 | 77.1 Ų | 77.1 | 50% | 0.504 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A363 S364 L371 | A363-A367 PolarHBondContact O-N 3.45Å; S364-A367 PolarHBondContact O-N 3.21Å; A367-L371 VanDerWaalsContact O-CB 3.29Å; A367-L371 WeakPolarHBondContact O-CB 3.37Å; A367-L371 PolarHBondContact O-N 3.49Å |
| 368 | A | 81.2 | Confident | 71 | Confident | 59 Ų | 59 | 79.8 Ų | 79.8 | 49% | 0.488 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S364 S365 L371 A372 | S364-A368 WeakPolarHBondContact O-CB 3.29Å; S364-A368 PolarHBondContact O-N 3.18Å; S365-A368 PolarHBondContact O-N 3.05Å; A368-L371 PolarHBondContact O-N 2.89Å; A368-A372 WeakPolarHBondContact O-CB 3.06Å; A368-A372 PolarHBondContact O-N 3.46Å |
| 369 | A | 74.4 | Confident | 72.3 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 34% | 0.339 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S365 Q366 L371 A372 L373 | S365-A369 WeakPolarHBondContact O-CB 3.48Å; S365-A369 PolarHBondContact O-N 3.42Å; Q366-A369 PolarHBondContact O-N 2.82Å; A369-L371 VanDerWaalsContact C-N 3.31Å; A369-L371 PolarHBondContact O-N 2.69Å; A369-A372 PolarHBondContact O-N 3.49Å; A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 PolarHBondContact O-N 3.08Å |
| 370 | K | 76.6 | Confident | 72.9 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 27% | 0.27 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 175.9 | -163.8 | 177.2 | -171.4 | 89.2 | 0 | 111.8 | Q366 R374 E489 E493 | Q366-K370 VanDerWaalsContact O-CB 3.31Å; Q366-K370 WeakPolarHBondContact O-CB 3.42Å; Q366-K370 PolarHBondContact O-N 2.89Å; K370-R374 WeakPolarHBondContact O-CG 3.29Å; K370-R374 PolarHBondContact O-N 3.02Å; K370-R374 VanDerWaalsContact O-N 3.09Å; K370-E489 WeakPolarHBondContact CE-OE1 3.2Å; K370-E489 IonicContact NZ-OE1 3.81Å; K370-E489 PolarHBondContact NZ-OE1 2.69Å; K370-E493 IonicContact NZ-OE2 2.82Å; K370-E493 PolarHBondContact NZ-OE2 3.38Å; K370-E493 VanDerWaalsContact NZ-OE2 3.07Å |
| 371 | L | 76 | Confident | 73.1 | Confident | 97 Ų | 97 | 78 Ų | 78 | 51% | 0.508 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -74.8 | -36 | 177.5 | -165 | 135.9 | 0 | 0 | 0 | 112.7 | A367 A368 A369 R374 K375 | A367-L371 VanDerWaalsContact O-CB 3.29Å; A367-L371 WeakPolarHBondContact O-CB 3.37Å; A367-L371 PolarHBondContact O-N 3.49Å; A368-L371 PolarHBondContact O-N 2.89Å; A369-L371 VanDerWaalsContact C-N 3.31Å; A369-L371 PolarHBondContact O-N 2.69Å; L371-R374 PolarHBondContact O-N 3.19Å; L371-K375 HydrophobicContact CD2-CD 4.15Å; L371-K375 WeakPolarHBondContact O-CG 3.42Å; L371-K375 PolarHBondContact O-N 3.41Å; L371-K375 VanDerWaalsContact O-N 3.13Å |
| 372 | A | 79.5 | Confident | 73.4 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 49% | 0.488 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A368 A369 K375 Q376 | A368-A372 WeakPolarHBondContact O-CB 3.06Å; A368-A372 PolarHBondContact O-N 3.46Å; A369-A372 PolarHBondContact O-N 3.49Å; A372-K375 PolarHBondContact O-N 2.88Å; A372-Q376 PolarHBondContact O-N 3.36Å |
| 373 | L | 74.5 | Confident | 73.6 | Confident | 12 Ų | 12 | 82.1 Ų | 82.1 | 6% | 0.063 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 174.1 | -163.5 | 77.9 | 0 | 0 | 0 | 111.4 | A369 K375 Q376 L377 Q488 E489 I492 | A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 PolarHBondContact O-N 3.08Å; L373-K375 VanDerWaalsContact C-N 3.31Å; L373-K375 PolarHBondContact O-N 3.27Å; L373-Q376 WeakPolarHBondContact O-CB 3.46Å; L373-Q376 PolarHBondContact O-N 3.14Å; L373-Q376 VanDerWaalsContact O-N 3.14Å; L373-L377 HydrophobicContact CD2-CD1 4.3Å; L373-L377 HydrophobicContact CG-CD1 4.02Å; L373-L377 WeakPolarHBondContact O-CB 3.3Å; L373-L377 WeakPolarHBondContact O-CD1 3.38Å; L373-L377 WeakPolarHBondContact O-CG 3.18Å; L373-L377 PolarHBondContact O-N 3.01Å; L373-Q488 HydrophobicContact CD1-CB 4.43Å; L373-Q488 VanDerWaalsContact CD1-CD 3.44Å; L373-Q488 HydrophobicContact CD1-CG 3.8Å; L373-E489 HydrophobicContact CD2-CB 3.83Å; L373-E489 HydrophobicContact CD2-CG 4.38Å; L373-I492 HydrophobicContact CD1-CD1 3.77Å; L373-I492 HydrophobicContact CD2-CD1 4.16Å; L373-I492 HydrophobicContact CG-CD1 4.45Å |
| 374 | R | 73.8 | Confident | 73.6 | Confident | 148 Ų | 148 | 81.1 Ų | 81.1 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.2 | -41.4 | 177.8 | -74.2 | 174.2 | 179.1 | -144.2 | -4.5 | 112.5 | K370 L371 L377 E378 E489 | K370-R374 WeakPolarHBondContact O-CG 3.29Å; K370-R374 PolarHBondContact O-N 3.02Å; K370-R374 VanDerWaalsContact O-N 3.09Å; L371-R374 PolarHBondContact O-N 3.19Å; R374-L377 PolarHBondContact O-N 2.88Å; R374-E378 WeakPolarHBondContact O-CB 3.32Å; R374-E378 PolarHBondContact O-N 3.28Å; R374-E489 IonicContact NH2-OE1 2.83Å |
| 375 | K | 80.9 | Confident | 73.2 | Confident | 132 Ų | 132 | 81.5 Ų | 81.5 | 57% | 0.574 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.9 | -40.5 | 174.4 | -72.5 | 177.4 | 174.6 | 178.8 | 0 | 113 | L371 A372 L373 L377 K379 | L371-K375 HydrophobicContact CD2-CD 4.15Å; L371-K375 WeakPolarHBondContact O-CG 3.42Å; L371-K375 PolarHBondContact O-N 3.41Å; L371-K375 VanDerWaalsContact O-N 3.13Å; A372-K375 PolarHBondContact O-N 2.88Å; L373-K375 VanDerWaalsContact C-N 3.31Å; L373-K375 PolarHBondContact O-N 3.27Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.86Å; K375-K379 WeakPolarHBondContact O-CB 3.35Å; K375-K379 PolarHBondContact O-N 3.5Å |
| 376 | Q | 70.3 | Confident | 72.8 | Confident | 122 Ų | 122 | 83.1 Ų | 83.1 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 174.1 | -171.5 | 83.2 | -15.6 | 0 | 0 | 111.1 | A372 L373 T380 | A372-Q376 PolarHBondContact O-N 3.36Å; L373-Q376 WeakPolarHBondContact O-CB 3.46Å; L373-Q376 PolarHBondContact O-N 3.14Å; L373-Q376 VanDerWaalsContact O-N 3.14Å; Q376-T380 WeakPolarHBondContact O-CB 3.5Å; Q376-T380 PolarHBondContact O-N 2.9Å; Q376-T380 PolarHBondContact O-OG1 3.44Å |
| 377 | L | 65.1 | Low | 72.5 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 16% | 0.162 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -75.1 | -42.4 | -179 | -68.6 | 167.6 | 0 | 0 | 0 | 112.9 | L373 R374 K375 K379 T380 L381 A485 | L373-L377 HydrophobicContact CD2-CD1 4.3Å; L373-L377 HydrophobicContact CG-CD1 4.02Å; L373-L377 WeakPolarHBondContact O-CB 3.3Å; L373-L377 WeakPolarHBondContact O-CD1 3.38Å; L373-L377 WeakPolarHBondContact O-CG 3.18Å; L373-L377 PolarHBondContact O-N 3.01Å; R374-L377 PolarHBondContact O-N 2.88Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.86Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.42Å; L377-T380 PolarHBondContact O-N 3.26Å; L377-L381 WeakPolarHBondContact O-CB 3.49Å; L377-L381 WeakPolarHBondContact O-CG 3.02Å; L377-L381 PolarHBondContact O-N 2.83Å; L377-A485 HydrophobicContact CD1-CB 3.54Å; L377-A485 HydrophobicContact CD2-CB 3.33Å; L377-A485 HydrophobicContact CG-CB 3.98Å |
| 378 | E | 75.3 | Confident | 72.1 | Confident | 121 Ų | 121 | 88.4 Ų | 88.4 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.5 | -47.7 | 170.9 | -175.8 | 175 | -164.2 | 0 | 0 | 110.6 | R374 T380 L381 L382 | R374-E378 WeakPolarHBondContact O-CB 3.32Å; R374-E378 PolarHBondContact O-N 3.28Å; E378-T380 PolarHBondContact O-N 2.91Å; E378-L381 PolarHBondContact O-N 3.5Å; E378-L382 HydrophobicContact CG-CD1 4.05Å; E378-L382 WeakPolarHBondContact O-CB 2.99Å; E378-L382 WeakPolarHBondContact O-CD1 3.39Å; E378-L382 VanDerWaalsContact O-CG 3.27Å; E378-L382 WeakPolarHBondContact O-CG 3.38Å; E378-L382 PolarHBondContact O-N 3.13Å |
| 379 | K | 79.3 | Confident | 71.3 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 54% | 0.543 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 172.2 | -176.6 | -178.5 | 174.3 | -175.3 | 0 | 112.1 | K375 L377 L381 L382 E383 | K375-K379 WeakPolarHBondContact O-CB 3.35Å; K375-K379 PolarHBondContact O-N 3.5Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.42Å; K379-L381 VanDerWaalsContact C-N 3.3Å; K379-L381 PolarHBondContact O-N 2.82Å; K379-L382 PolarHBondContact O-N 3.17Å; K379-E383 VanDerWaalsContact CE-OE2 3.26Å; K379-E383 WeakPolarHBondContact CE-OE2 3.17Å; K379-E383 VanDerWaalsContact O-CB 3.24Å; K379-E383 WeakPolarHBondContact O-CB 3.34Å; K379-E383 PolarHBondContact O-N 3.33Å |
| 380 | T | 67.2 | Low | 71.2 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | -177.9 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | Q376 L377 E378 I384 | Q376-T380 WeakPolarHBondContact O-CB 3.5Å; Q376-T380 PolarHBondContact O-N 2.9Å; Q376-T380 PolarHBondContact O-OG1 3.44Å; L377-T380 PolarHBondContact O-N 3.26Å; E378-T380 PolarHBondContact O-N 2.91Å; T380-I384 WeakPolarHBondContact O-CG1 3.43Å |
| 381 | L | 63.8 | Low | 71 | Confident | 50 Ų | 50 | 92.6 Ų | 92.6 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71 | -42.9 | 174 | -77.2 | 162.9 | 0 | 0 | 0 | 112 | L377 E378 K379 E383 L478 A481 F482 | L377-L381 WeakPolarHBondContact O-CB 3.49Å; L377-L381 WeakPolarHBondContact O-CG 3.02Å; L377-L381 PolarHBondContact O-N 2.83Å; E378-L381 PolarHBondContact O-N 3.5Å; K379-L381 VanDerWaalsContact C-N 3.3Å; K379-L381 PolarHBondContact O-N 2.82Å; L381-E383 VanDerWaalsContact C-N 3.27Å; L381-E383 PolarHBondContact O-N 2.94Å; L381-L478 HydrophobicContact CD2-CD2 3.62Å; L381-A481 HydrophobicContact CD2-CB 4.34Å; L381-F482 HydrophobicContact CD1-CD1 4.4Å; L381-F482 HydrophobicContact CD1-CE1 3.58Å; L381-F482 HydrophobicContact CD1-CZ 3.67Å; L381-F482 HydrophobicContact CD2-CD2 4.36Å; L381-F482 HydrophobicContact CD2-CE1 4.21Å; L381-F482 HydrophobicContact CD2-CE2 3.79Å; L381-F482 HydrophobicContact CD2-CZ 3.71Å; L381-F482 HydrophobicContact CG-CZ 4.37Å |
| 382 | L | 65.7 | Low | 70.6 | Confident | 142 Ų | 142 | 93 Ų | 93 | 74% | 0.743 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -28.7 | 175.2 | -72.8 | 165.3 | 0 | 0 | 0 | 112.7 | E378 K379 | E378-L382 HydrophobicContact CG-CD1 4.05Å; E378-L382 WeakPolarHBondContact O-CB 2.99Å; E378-L382 WeakPolarHBondContact O-CD1 3.39Å; E378-L382 VanDerWaalsContact O-CG 3.27Å; E378-L382 WeakPolarHBondContact O-CG 3.38Å; E378-L382 PolarHBondContact O-N 3.13Å; K379-L382 PolarHBondContact O-N 3.17Å |
| 383 | E | 71.3 | Confident | 70 | Confident | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.8 | -176.7 | -164.3 | 161.1 | -172.9 | 0 | 0 | 113.6 | K379 L381 P385 | K379-E383 VanDerWaalsContact CE-OE2 3.26Å; K379-E383 WeakPolarHBondContact CE-OE2 3.17Å; K379-E383 VanDerWaalsContact O-CB 3.24Å; K379-E383 WeakPolarHBondContact O-CB 3.34Å; K379-E383 PolarHBondContact O-N 3.33Å; L381-E383 VanDerWaalsContact C-N 3.27Å; L381-E383 PolarHBondContact O-N 2.94Å; E383-P385 WeakPolarHBondContact O-CD 3.4Å; E383-P385 VanDerWaalsContact O-N 3.13Å |
| 384 | I | 68.7 | Low | 69.6 | Low | 33 Ų | 33 | 100.5 Ų | 100.5 | 17% | 0.169 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -65.1 | 111.5 | 173 | -58.2 | -175.2 | 0 | 0 | 0 | 109.1 | T380 L478 A481 | T380-I384 WeakPolarHBondContact O-CG1 3.43Å; I384-L478 HydrophobicContact CD1-CD2 3.79Å; I384-L478 HydrophobicContact CD1-CG 4.23Å; I384-A481 HydrophobicContact CD1-CB 4.43Å |
| 385 | P | 67.7 | Low | 69.2 | Low | 83 Ų | 83 | 98.2 Ų | 98.2 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -67 | 141 | -175.2 | -19.4 | 33.5 | 0 | 0 | 0 | 110.4 | E383 | E383-P385 WeakPolarHBondContact O-CD 3.4Å; E383-P385 VanDerWaalsContact O-N 3.13Å |
| 386 | P | 68.9 | Low | 68.5 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 71% | 0.714 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 141.3 | 173 | 25.2 | -33.4 | 0 | 0 | 0 | 109.6 | K388 | P386-K388 PolarHBondContact O-N 3.05Å; P386-K388 VanDerWaalsContact O-N 3.17Å |
| 387 | P | 64.4 | Low | 68.3 | Low | 47 Ų | 47 | 101.9 Ų | 101.9 | 31% | 0.305 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 124.3 | 179 | 23.1 | -32.1 | 0 | 0 | 0 | 109.5 | L470 | P387-L470 HydrophobicContact CB-CB 4.39Å; P387-L470 HydrophobicContact CB-CD2 4.15Å; P387-L470 HydrophobicContact CG-CB 4.43Å |
| 388 | K | 68.6 | Low | 68.8 | Low | 187 Ų | 187 | 103.8 Ų | 103.8 | 81% | 0.813 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.7 | -178.8 | -169.8 | 171.1 | -175.6 | 170.5 | 0 | 108.8 | P386 | P386-K388 PolarHBondContact O-N 3.05Å; P386-K388 VanDerWaalsContact O-N 3.17Å |
| 389 | P | 65.8 | Low | 68.7 | Low | 104 Ų | 104 | 101.6 Ų | 101.6 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.1 | 178.5 | 24.1 | -33.6 | 0 | 0 | 0 | 109.7 | ||
| 390 | P | 71 | Confident | 68.5 | Low | 62 Ų | 62 | 99.8 Ų | 99.8 | 40% | 0.403 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 146.1 | 174.1 | 27.3 | -34.6 | 0 | 0 | 0 | 109.8 | ||
| 391 | A | 72.5 | Confident | 69.2 | Low | 85 Ų | 85 | 100.9 Ų | 100.9 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 135 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | L393 | A391-L393 PolarHBondContact O-N 3.43Š|
| 392 | P | 67.4 | Low | 70.3 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.3 | 175 | -25.4 | 34.3 | 0 | 0 | 0 | 110.5 | L394 | P392-L394 VanDerWaalsContact C-N 3.29Å; P392-L394 HydrophobicContact CB-CD2 4.18Å; P392-L394 HydrophobicContact CB-CG 4.46Å; P392-L394 PolarHBondContact O-N 3.33Å |
| 393 | L | 68 | Low | 71.3 | Confident | 100 Ų | 100 | 98 Ų | 98 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | trans | -73.7 | 89.6 | 170.1 | -73.4 | 168.3 | 0 | 0 | 0 | 108 | A391 H395 M462 | A391-L393 PolarHBondContact O-N 3.43Å; L393-H395 VanDerWaalsContact C-N 3.28Å; L393-H395 PolarHBondContact O-N 3.26Å; L393-M462 HydrophobicContact CD1-CE 3.87Å | ||
| 394 | L | 65.7 | Low | 71.9 | Confident | 129 Ų | 129 | 97.9 Ų | 97.9 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | trans | -76.4 | 81.9 | 174.1 | -61.8 | -177.2 | 0 | 0 | 0 | 109.6 | P392 F396 | P392-L394 VanDerWaalsContact C-N 3.29Å; P392-L394 HydrophobicContact CB-CD2 4.18Å; P392-L394 HydrophobicContact CB-CG 4.46Å; P392-L394 PolarHBondContact O-N 3.33Å; L394-F396 HydrophobicContact CB-CE2 4.35Å; L394-F396 PolarHBondContact O-N 2.73Å | ||
| 395 | H | 65.1 | Low | 72.6 | Confident | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.458 | 58% | 0.583 | S | S | . | * | trans | -81.8 | 109.2 | 165.8 | -78.1 | -29 | 0 | 0 | 0 | 109.4 | L393 L397 H447 | L393-H395 VanDerWaalsContact C-N 3.28Å; L393-H395 PolarHBondContact O-N 3.26Å; H395-L397 PolarHBondContact O-N 3.41Å; H395-H447 AromaticContact CD2-CD2 3.87Å; H395-H447 AromaticContact CD2-CE1 3.74Å; H395-H447 AromaticContact CD2-CG 3.71Å; H395-H447 AromaticContact CD2-ND1 3.61Å; H395-H447 AromaticContact CD2-NE2 3.86Å; H395-H447 AromaticContact CE1-CE1 3.89Å; H395-H447 AromaticContact CE1-NE2 3.87Å; H395-H447 AromaticContact NE2-CD2 3.34Å; H395-H447 PolarHBondContact NE2-CD2 2.99Å; H395-H447 VanDerWaalsContact NE2-CD2 3.34Å; H395-H447 AromaticContact NE2-CE1 3.05Å; H395-H447 PolarHBondContact NE2-CE1 3.2Å; H395-H447 AromaticContact NE2-CG 3.59Å; H395-H447 AromaticContact NE2-ND1 3.42Å; H395-H447 PolarHBondContact NE2-ND1 2.95Å; H395-H447 AromaticContact NE2-NE2 2.95Å; H395-H447 PolarHBondContact NE2-NE2 3.07Å | ||
| 396 | F | 66.7 | Low | 73.4 | Confident | 189 Ų | 189 | 100.4 Ų | 100.4 | 83% | 0.829 | 58% | 0.579 | S | S | * | * | trans | -71.5 | 78 | 173 | -65.7 | -84.2 | 0 | 0 | 0 | 109.9 | L394 P398 | L394-F396 HydrophobicContact CB-CE2 4.35Å; L394-F396 PolarHBondContact O-N 2.73Å; F396-P398 WeakPolarHBondContact O-CD 3.5Å | ||
| 397 | L | 66.1 | Low | 74.1 | Confident | 143 Ų | 143 | 103.2 Ų | 103.2 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.6 | 163.8 | -72.4 | 161.5 | 0 | 0 | 0 | 107.8 | H395 S399 | H395-L397 PolarHBondContact O-N 3.41Å; L397-S399 PolarHBondContact O-N 2.91Å |
| 398 | P | 74.7 | Confident | 75 | Confident | 70 Ų | 70 | 107 Ų | 107 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 139.4 | 170.8 | -26.1 | 36.4 | 0 | 0 | 0 | 110 | F396 A400 F405 | F396-P398 WeakPolarHBondContact O-CD 3.5Å; P398-A400 PolarHBondContact O-N 2.98Å; P398-A400 VanDerWaalsContact O-N 3.12Å; P398-F405 HydrophobicContact CB-CD1 3.77Å; P398-F405 HydrophobicContact CB-CD2 3.79Å; P398-F405 HydrophobicContact CB-CE1 3.86Å; P398-F405 HydrophobicContact CB-CE2 3.89Å; P398-F405 HydrophobicContact CB-CG 3.73Å; P398-F405 HydrophobicContact CB-CZ 3.92Å; P398-F405 HydrophobicContact CG-CD2 4.03Å; P398-F405 HydrophobicContact CG-CE1 4.19Å; P398-F405 HydrophobicContact CG-CE2 3.68Å; P398-F405 HydrophobicContact CG-CG 4.44Å; P398-F405 HydrophobicContact CG-CZ 3.76Å |
| 399 | S | 75.1 | Confident | 75.7 | Confident | 76 Ų | 76 | 102 Ų | 102 | 53% | 0.531 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 121.4 | -177 | 180 | 0 | 0 | 0 | 0 | 110.4 | L397 A401 N402 | L397-S399 PolarHBondContact O-N 2.91Å; S399-A401 PolarHBondContact O-N 3.2Å; S399-A401 PolarHBondContact OG-N 3.44Å; S399-N402 WeakPolarHBondContact O-CB 3.35Å; S399-N402 PolarHBondContact O-N 3.19Å |
| 400 | A | 74.2 | Confident | 76.3 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 71% | 0.711 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 1.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P398 I406 | P398-A400 PolarHBondContact O-N 2.98Å; P398-A400 VanDerWaalsContact O-N 3.12Å; A400-I406 WeakPolarHBondContact O-CD1 3.49Å |
| 401 | A | 81.8 | Confident | 77 | Confident | 91 Ų | 91 | 99.1 Ų | 99.1 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -6.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S399 S403 | S399-A401 PolarHBondContact O-N 3.2Å; S399-A401 PolarHBondContact OG-N 3.44Å; A401-S403 PolarHBondContact O-N 3.16Å |
| 402 | N | 86.9 | Confident | 77.5 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | trans | -85.8 | 105.3 | 173.3 | -175.9 | -6.2 | 0 | 0 | 0 | 109.8 | S399 E404 F405 I406 | S399-N402 WeakPolarHBondContact O-CB 3.35Å; S399-N402 PolarHBondContact O-N 3.19Å; N402-E404 VanDerWaalsContact C-N 3.27Å; N402-E404 PolarHBondContact O-N 3.08Å; N402-E404 WeakPolarHBondContact OD1-CB 3.39Å; N402-E404 PolarHBondContact OD1-N 3.37Å; N402-E404 VanDerWaalsContact OD1-N 3.14Å; N402-F405 HydrophobicContact CB-CB 4.32Å; N402-F405 PolarHBondContact O-N 2.99Å; N402-F405 VanDerWaalsContact O-N 3.15Å; N402-I406 PolarHBondContact O-N 3.39Å | ||
| 403 | S | 86.4 | Confident | 78.2 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.8 | -37.1 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | A401 F405 I406 Y407 | A401-S403 PolarHBondContact O-N 3.16Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.91Å; S403-I406 PolarHBondContact O-N 2.84Å; S403-I406 VanDerWaalsContact O-N 3.14Å; S403-Y407 WeakPolarHBondContact O-CD2 3.36Å; S403-Y407 PolarHBondContact O-N 3.1Å |
| 404 | E | 85.1 | Confident | 79 | Confident | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.6 | -39.7 | 179 | -57.2 | -56.1 | 109.7 | 0 | 0 | 111.2 | N402 Y407 M408 | N402-E404 VanDerWaalsContact C-N 3.27Å; N402-E404 PolarHBondContact O-N 3.08Å; N402-E404 WeakPolarHBondContact OD1-CB 3.39Å; N402-E404 PolarHBondContact OD1-N 3.37Å; N402-E404 VanDerWaalsContact OD1-N 3.14Å; E404-Y407 PolarHBondContact O-N 3.4Å; E404-M408 WeakPolarHBondContact O-CG 3.27Å; E404-M408 PolarHBondContact O-N 3.43Å |
| 405 | F | 83.4 | Confident | 80 | Confident | 78 Ų | 78 | 100 Ų | 100 | 34% | 0.342 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 175.7 | -179.8 | -106 | 0 | 0 | 0 | 111.5 | P398 N402 S403 Y407 M408 V409 | P398-F405 HydrophobicContact CB-CD1 3.77Å; P398-F405 HydrophobicContact CB-CD2 3.79Å; P398-F405 HydrophobicContact CB-CE1 3.86Å; P398-F405 HydrophobicContact CB-CE2 3.89Å; P398-F405 HydrophobicContact CB-CG 3.73Å; P398-F405 HydrophobicContact CB-CZ 3.92Å; P398-F405 HydrophobicContact CG-CD2 4.03Å; P398-F405 HydrophobicContact CG-CE1 4.19Å; P398-F405 HydrophobicContact CG-CE2 3.68Å; P398-F405 HydrophobicContact CG-CG 4.44Å; P398-F405 HydrophobicContact CG-CZ 3.76Å; N402-F405 HydrophobicContact CB-CB 4.32Å; N402-F405 PolarHBondContact O-N 2.99Å; N402-F405 VanDerWaalsContact O-N 3.15Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.91Å; F405-Y407 VanDerWaalsContact C-N 3.26Å; F405-Y407 PolarHBondContact O-N 2.95Å; F405-M408 WeakPolarHBondContact O-CA 3.49Å; F405-M408 PolarHBondContact O-N 3.37Å; F405-V409 HydrophobicContact CD1-CG2 3.95Å; F405-V409 HydrophobicContact CE1-CG2 3.45Å; F405-V409 VanDerWaalsContact CE1-CG2 3.45Å; F405-V409 HydrophobicContact CE2-CG2 4.22Å; F405-V409 HydrophobicContact CZ-CG2 3.6Å; F405-V409 WeakPolarHBondContact O-CG2 3.23Å; F405-V409 PolarHBondContact O-N 3.12Å |
| 406 | I | 83.3 | Confident | 80.7 | Confident | 91 Ų | 91 | 98.3 Ų | 98.3 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 177.5 | -58.5 | 172.1 | 0 | 0 | 0 | 110.9 | A400 N402 S403 M408 V409 | A400-I406 WeakPolarHBondContact O-CD1 3.49Å; N402-I406 PolarHBondContact O-N 3.39Å; S403-I406 PolarHBondContact O-N 2.84Å; S403-I406 VanDerWaalsContact O-N 3.14Å; I406-M408 PolarHBondContact O-N 2.9Å; I406-V409 PolarHBondContact O-N 2.6Å |
| 407 | Y | 84.5 | Confident | 81.5 | Confident | 169 Ų | 169 | 92.6 Ų | 92.6 | 66% | 0.663 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -16.1 | 177.1 | -60.5 | -47.1 | 0 | 0 | 0 | 114.1 | S403 E404 F405 | S403-Y407 WeakPolarHBondContact O-CD2 3.36Å; S403-Y407 PolarHBondContact O-N 3.1Å; E404-Y407 PolarHBondContact O-N 3.4Å; F405-Y407 VanDerWaalsContact C-N 3.26Å; F405-Y407 PolarHBondContact O-N 2.95Å |
| 408 | M | 83.6 | Confident | 82.5 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -95 | -17.3 | 175.4 | -67.9 | -170.4 | 74.4 | 0 | 0 | 114.1 | E404 F405 I406 G410 L411 | E404-M408 WeakPolarHBondContact O-CG 3.27Å; E404-M408 PolarHBondContact O-N 3.43Å; F405-M408 WeakPolarHBondContact O-CA 3.49Å; F405-M408 PolarHBondContact O-N 3.37Å; I406-M408 PolarHBondContact O-N 2.9Å; M408-G410 PolarHBondContact O-N 3.3Å; M408-L411 HydrophobicContact CB-CD1 4.31Å; M408-L411 HydrophobicContact CG-CD1 4.24Å; M408-L411 WeakPolarHBondContact O-CB 3.48Å; M408-L411 PolarHBondContact O-N 2.98Å |
| 409 | V | 82.2 | Confident | 82.9 | Confident | 84 Ų | 84 | 90.1 Ų | 90.1 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 129.2 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | F405 I406 L411 | F405-V409 HydrophobicContact CD1-CG2 3.95Å; F405-V409 HydrophobicContact CE1-CG2 3.45Å; F405-V409 VanDerWaalsContact CE1-CG2 3.45Å; F405-V409 HydrophobicContact CE2-CG2 4.22Å; F405-V409 HydrophobicContact CZ-CG2 3.6Å; F405-V409 WeakPolarHBondContact O-CG2 3.23Å; F405-V409 PolarHBondContact O-N 3.12Å; I406-V409 PolarHBondContact O-N 2.6Å; V409-L411 VanDerWaalsContact C-N 3.31Å |
| 410 | G | 78.1 | Confident | 83.1 | Confident | 23 Ų | 23 | 90 Ų | 90 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -7.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M408 E412 E413 V414 | M408-G410 PolarHBondContact O-N 3.3Å; G410-E412 VanDerWaalsContact CA-OE2 3.27Å; G410-E412 WeakPolarHBondContact CA-OE2 3.25Å; G410-E412 PolarHBondContact N-OE1 3.45Å; G410-E412 PolarHBondContact N-OE2 2.81Å; G410-E412 PolarHBondContact O-N 3.41Å; G410-E413 PolarHBondContact O-N 2.96Å; G410-E413 VanDerWaalsContact O-N 3.12Å; G410-V414 PolarHBondContact O-N 2.95Å |
| 411 | L | 87.1 | Confident | 83.3 | Confident | 82 Ų | 82 | 90.6 Ų | 90.6 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -24.9 | 171.2 | -66.1 | -174.5 | 0 | 0 | 0 | 111.7 | M408 V409 E413 V414 V415 | M408-L411 HydrophobicContact CB-CD1 4.31Å; M408-L411 HydrophobicContact CG-CD1 4.24Å; M408-L411 WeakPolarHBondContact O-CB 3.48Å; M408-L411 PolarHBondContact O-N 2.98Å; V409-L411 VanDerWaalsContact C-N 3.31Å; L411-E413 VanDerWaalsContact C-N 3.31Å; L411-E413 PolarHBondContact O-N 2.8Å; L411-V414 PolarHBondContact O-N 3.05Å; L411-V415 WeakPolarHBondContact O-CB 3.36Å; L411-V415 WeakPolarHBondContact O-CG2 3.32Å; L411-V415 PolarHBondContact O-N 3.42Å |
| 412 | E | 82.3 | Confident | 83.1 | Confident | 119 Ų | 119 | 92.5 Ų | 92.5 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.6 | -39.5 | 171 | 64.9 | -83.2 | -159.6 | 0 | 0 | 112.4 | G410 Q416 | G410-E412 VanDerWaalsContact CA-OE2 3.27Å; G410-E412 WeakPolarHBondContact CA-OE2 3.25Å; G410-E412 PolarHBondContact N-OE1 3.45Å; G410-E412 PolarHBondContact N-OE2 2.81Å; G410-E412 PolarHBondContact O-N 3.41Å; E412-Q416 VanDerWaalsContact O-CB 3.26Å; E412-Q416 WeakPolarHBondContact O-CB 3.25Å; E412-Q416 PolarHBondContact O-N 3.34Å |
| 413 | E | 81.8 | Confident | 82 | Confident | 147 Ų | 147 | 91 Ų | 91 | 69% | 0.687 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.6 | -37 | 177.3 | -58.8 | -170.7 | 157 | 0 | 0 | 111.3 | G410 L411 S417 | G410-E413 PolarHBondContact O-N 2.96Å; G410-E413 VanDerWaalsContact O-N 3.12Å; L411-E413 VanDerWaalsContact C-N 3.31Å; L411-E413 PolarHBondContact O-N 2.8Å; E413-S417 WeakPolarHBondContact O-CB 3.36Å; E413-S417 PolarHBondContact O-N 2.84Å |
| 414 | V | 85.7 | Confident | 80.8 | Confident | 84 Ų | 84 | 96.9 Ų | 96.9 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | G410 L411 S417 V418 | G410-V414 PolarHBondContact O-N 2.95Å; L411-V414 PolarHBondContact O-N 3.05Å; V414-S417 PolarHBondContact O-N 3.49Å; V414-V418 WeakPolarHBondContact O-CG2 3.46Å; V414-V418 PolarHBondContact O-N 3.29Å |
| 415 | V | 85.2 | Confident | 79.2 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | L411 V418 L419 | L411-V415 WeakPolarHBondContact O-CB 3.36Å; L411-V415 WeakPolarHBondContact O-CG2 3.32Å; L411-V415 PolarHBondContact O-N 3.42Å; V415-V418 PolarHBondContact O-N 3.3Å; V415-L419 HydrophobicContact CG1-CD1 3.93Å; V415-L419 HydrophobicContact CG1-CG 4.45Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.47Å; V415-L419 PolarHBondContact O-N 2.99Å |
| 416 | Q | 80.4 | Confident | 77.7 | Confident | 65 Ų | 65 | 106 Ų | 106 | 30% | 0.304 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.8 | -168.5 | 60.2 | 58.6 | 0 | 0 | 111.5 | E412 V418 L419 D420 L429 | E412-Q416 VanDerWaalsContact O-CB 3.26Å; E412-Q416 WeakPolarHBondContact O-CB 3.25Å; E412-Q416 PolarHBondContact O-N 3.34Å; Q416-V418 VanDerWaalsContact C-N 3.31Å; Q416-V418 PolarHBondContact O-N 3.33Å; Q416-L419 PolarHBondContact O-N 3.3Å; Q416-L419 VanDerWaalsContact O-N 3.13Å; Q416-D420 PolarHBondContact NE2-OD1 3.1Å; Q416-D420 WeakPolarHBondContact O-CB 3.12Å; Q416-D420 PolarHBondContact O-N 2.92Å; Q416-L429 HydrophobicContact CG-CD1 4.12Å |
| 417 | S | 82.9 | Confident | 76.3 | Confident | 68 Ų | 68 | 103.9 Ų | 103.9 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | E413 V414 S421 | E413-S417 WeakPolarHBondContact O-CB 3.36Å; E413-S417 PolarHBondContact O-N 2.84Å; V414-S417 PolarHBondContact O-N 3.49Å; S417-S421 WeakPolarHBondContact O-CB 3.37Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 PolarHBondContact O-OG 3.06Å |
| 418 | V | 87.4 | Confident | 74.8 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | V414 V415 Q416 S421 Q422 | V414-V418 WeakPolarHBondContact O-CG2 3.46Å; V414-V418 PolarHBondContact O-N 3.29Å; V415-V418 PolarHBondContact O-N 3.3Å; Q416-V418 VanDerWaalsContact C-N 3.31Å; Q416-V418 PolarHBondContact O-N 3.33Å; V418-S421 PolarHBondContact O-N 3.12Å; V418-Q422 WeakPolarHBondContact O-CG 3.45Å; V418-Q422 PolarHBondContact O-N 3.5Å; V418-Q422 VanDerWaalsContact O-N 3.08Å |
| 419 | L | 84.3 | Confident | 73.3 | Confident | 85 Ų | 85 | 101 Ų | 101 | 45% | 0.445 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.5 | -44 | 176.8 | -71.5 | 169.4 | 0 | 0 | 0 | 111.8 | V415 Q416 Q422 | V415-L419 HydrophobicContact CG1-CD1 3.93Å; V415-L419 HydrophobicContact CG1-CG 4.45Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.47Å; V415-L419 PolarHBondContact O-N 2.99Å; Q416-L419 PolarHBondContact O-N 3.3Å; Q416-L419 VanDerWaalsContact O-N 3.13Å; L419-Q422 PolarHBondContact O-N 2.96Å |
| 420 | D | 77.9 | Confident | 72 | Confident | 74 Ų | 74 | 100 Ų | 100 | 40% | 0.396 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -43.1 | 176.6 | -67.2 | -6.6 | 0 | 0 | 0 | 110.9 | Q416 Q422 G423 | Q416-D420 PolarHBondContact NE2-OD1 3.1Å; Q416-D420 WeakPolarHBondContact O-CB 3.12Å; Q416-D420 PolarHBondContact O-N 2.92Å; D420-Q422 VanDerWaalsContact C-N 3.29Å; D420-Q422 PolarHBondContact O-N 3.41Å; D420-G423 PolarHBondContact O-N 2.96Å; D420-G423 VanDerWaalsContact O-N 3.08Å |
| 421 | S | 79.4 | Confident | 71 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.5 | -29.9 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | S417 V418 G423 | S417-S421 WeakPolarHBondContact O-CB 3.37Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 PolarHBondContact O-OG 3.06Å; V418-S421 PolarHBondContact O-N 3.12Å; S421-G423 PolarHBondContact O-N 3.19Å |
| 422 | Q | 78.2 | Confident | 69.8 | Low | 132 Ų | 132 | 113.7 Ų | 113.7 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 1.6 | 174.8 | -71.7 | -150.5 | 61.2 | 0 | 0 | 114 | V418 L419 D420 K424 | V418-Q422 WeakPolarHBondContact O-CG 3.45Å; V418-Q422 PolarHBondContact O-N 3.5Å; V418-Q422 VanDerWaalsContact O-N 3.08Å; L419-Q422 PolarHBondContact O-N 2.96Å; D420-Q422 VanDerWaalsContact C-N 3.29Å; D420-Q422 PolarHBondContact O-N 3.41Å; Q422-K424 PolarHBondContact O-N 2.88Å |
| 423 | G | 63.3 | Low | 69.4 | Low | 44 Ų | 44 | 115.6 Ų | 115.6 | 45% | 0.454 | 61% | 0.607 | S | S | . | * | S | Bend | trans | 68.1 | -8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | D420 S421 | D420-G423 PolarHBondContact O-N 2.96Å; D420-G423 VanDerWaalsContact O-N 3.08Å; S421-G423 PolarHBondContact O-N 3.19Å |
| 424 | K | 60.1 | Low | 69.5 | Low | 179 Ų | 179 | 112.6 Ų | 112.6 | 78% | 0.778 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -82.7 | -13.4 | -175.8 | -74.1 | 170.4 | -178.6 | 170.2 | 0 | 114.2 | Q422 | Q422-K424 PolarHBondContact O-N 2.88Š|
| 425 | F | 53 | Low | 69.7 | Low | 160 Ų | 160 | 112.7 Ų | 112.7 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | trans | -118.7 | 74.1 | 170.7 | -89.7 | -92 | 0 | 0 | 0 | 110.7 | G427 | F425-G427 PolarHBondContact O-N 3.45Š| ||
| 426 | R | 52.2 | Low | 70.2 | Confident | 234 Ų | 234 | 113.2 Ų | 113.2 | 88% | 0.883 | 59% | 0.59 | S | S | * | * | trans | -72.7 | 40.1 | 159.6 | -78.2 | -77.5 | -159.3 | -133.4 | -0.6 | 111.6 | S428 | R426-S428 PolarHBondContact O-N 2.76Š| ||
| 427 | G | 53 | Low | 71 | Confident | 48 Ų | 48 | 110.1 Ų | 110.1 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | trans | -74.7 | 117 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | F425 L429 | F425-G427 PolarHBondContact O-N 3.45Å; G427-L429 PolarHBondContact O-N 3.49Å | ||
| 428 | S | 52.9 | Low | 71.6 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | trans | -65.5 | 92.9 | 169.7 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | R426 A430 | R426-S428 PolarHBondContact O-N 2.76Å; S428-A430 PolarHBondContact O-N 3.32Å | ||
| 429 | L | 52.5 | Low | 72 | Confident | 122 Ų | 122 | 109.4 Ų | 109.4 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | trans | -66.6 | 76.1 | 152.7 | -65.7 | -174.8 | 0 | 0 | 0 | 105.6 | Q416 G427 R431 | Q416-L429 HydrophobicContact CG-CD1 4.12Å; G427-L429 PolarHBondContact O-N 3.49Å; L429-R431 PolarHBondContact O-N 2.86Å | ||
| 430 | A | 55 | Low | 72.6 | Confident | 65 Ų | 65 | 108.7 Ų | 108.7 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | trans | -50.2 | 114.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | S428 M432 | S428-A430 PolarHBondContact O-N 3.32Å; A430-M432 WeakPolarHBondContact O-CA 3.22Å; A430-M432 PolarHBondContact O-N 3.4Å | ||
| 431 | R | 56.3 | Low | 73.5 | Confident | 240 Ų | 240 | 114 Ų | 114 | 91% | 0.906 | 58% | 0.582 | S | S | * | * | trans | -35.3 | 104.3 | -179.6 | 169.8 | -166.2 | -86.7 | -162 | -7.4 | 107.2 | L429 E433 | L429-R431 PolarHBondContact O-N 2.86Å; R431-E433 PolarHBondContact O-N 3.24Å | ||
| 432 | M | 62.9 | Low | 74.2 | Confident | 152 Ų | 152 | 111.3 Ų | 111.3 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.2 | -166.3 | -74.6 | -166.4 | 71.3 | 0 | 0 | 107.5 | A430 P434 F435 | A430-M432 WeakPolarHBondContact O-CA 3.22Å; A430-M432 PolarHBondContact O-N 3.4Å; M432-P434 WeakPolarHBondContact O-CD 3.31Å; M432-P434 VanDerWaalsContact O-N 3.17Å; M432-F435 HydrophobicContact CE-CZ 4.18Å |
| 433 | E | 73.1 | Confident | 75 | Confident | 159 Ų | 159 | 110.2 Ų | 110.2 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.2 | -173 | -171.2 | 174.6 | -175.2 | 0 | 0 | 107.8 | R431 F435 | R431-E433 PolarHBondContact O-N 3.24Å; E433-F435 PolarHBondContact O-N 3.01Å; E433-F435 VanDerWaalsContact O-N 3.14Å |
| 434 | P | 84.8 | Confident | 76.4 | Confident | 83 Ų | 83 | 115.3 Ų | 115.3 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 126.4 | -177.6 | -29.3 | 35.8 | 0 | 0 | 0 | 110 | M432 F436 | M432-P434 WeakPolarHBondContact O-CD 3.31Å; M432-P434 VanDerWaalsContact O-N 3.17Å; P434-F436 HydrophobicContact CB-CE2 4.3Å; P434-F436 WeakPolarHBondContact O-CD2 3.36Å; P434-F436 WeakPolarHBondContact O-CE2 3.46Å; P434-F436 PolarHBondContact O-N 2.76Å |
| 435 | F | 90 | Very high | 77.9 | Confident | 87 Ų | 87 | 107.6 Ų | 107.6 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.3 | -178.8 | -67.2 | -57 | 0 | 0 | 0 | 110 | M432 E433 W448 I456 | M432-F435 HydrophobicContact CE-CZ 4.18Å; E433-F435 PolarHBondContact O-N 3.01Å; E433-F435 VanDerWaalsContact O-N 3.14Å; F435-W448 HydrophobicContact CB-CD2 3.66Å; F435-W448 VanDerWaalsContact CB-CE2 3.42Å; F435-W448 HydrophobicContact CB-CE3 4.2Å; F435-W448 HydrophobicContact CB-CG 4.05Å; F435-W448 HydrophobicContact CB-CH2 4.31Å; F435-W448 HydrophobicContact CB-CZ2 3.78Å; F435-W448 HydrophobicContact CD2-CB 4.39Å; F435-W448 AromaticContact CD2-CD1 3.61Å; F435-W448 HydrophobicContact CD2-CD2 4.42Å; F435-W448 AromaticContact CD2-CG 3.9Å; F435-W448 HydrophobicContact CD2-CG 3.9Å; F435-W448 AromaticContact CD2-NE1 3.95Å; F435-W448 HydrophobicContact CG-CD2 4.35Å; F435-W448 HydrophobicContact CG-CG 4.25Å; F435-W448 WeakPolarHBondContact O-CH2 3.2Å; F435-W448 WeakPolarHBondContact O-CZ2 3.49Å; F435-I456 HydrophobicContact CB-CG2 4.09Å; F435-I456 HydrophobicContact CD1-CD1 4.45Å; F435-I456 HydrophobicContact CD1-CG1 4.06Å; F435-I456 HydrophobicContact CD1-CG2 4.24Å; F435-I456 HydrophobicContact CE1-CD1 4.41Å; F435-I456 HydrophobicContact CE1-CG1 4.42Å; F435-I456 HydrophobicContact CG-CG2 4.27Å |
| 436 | F | 95.4 | Very high | 79.6 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 43% | 0.425 | 54% | 0.535 | S | S | . | . | trans | -113.9 | 136.7 | 169.2 | -64.7 | -91.7 | 0 | 0 | 0 | 109.5 | P434 A438 T442 D443 | P434-F436 HydrophobicContact CB-CE2 4.3Å; P434-F436 WeakPolarHBondContact O-CD2 3.36Å; P434-F436 WeakPolarHBondContact O-CE2 3.46Å; P434-F436 PolarHBondContact O-N 2.76Å; F436-A438 PolarHBondContact O-N 2.93Å; F436-T442 CarbonylContact C-O 3.58Å; F436-T442 WeakPolarHBondContact CA-O 3.48Å; F436-D443 HydrophobicContact CD1-CB 3.87Å; F436-D443 HydrophobicContact CE1-CB 3.64Å; F436-D443 HydrophobicContact CZ-CB 4.41Å | ||
| 437 | C | 96.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 97.3 Ų | 97.3 | 0% | 0 | 51% | 0.51 | C | S | . | . | trans | -64.7 | 121.8 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | Q439 R441 T442 W448 C458 C461 | C437-Q439 PolarHBondContact O-N 3.29Å; C437-R441 WeakPolarHBondContact O-CA 3.49Å; C437-R441 PolarHBondContact O-N 2.97Å; C437-T442 HydrophobicContact CB-CG2 3.71Å; C437-T442 PolarHBondContact N-O 3.06Å; C437-W448 HydrophobicContact CB-CH2 4.12Å; C437-W448 HydrophobicContact CB-CZ3 3.82Å; C437-C458 HydrophobicContact CB-CB 4.09Å; C437-C458 PolarHBondContact SG-N 3.01Å; C437-C458 VanDerWaalsContact SG-N 3.41Å; C437-C461 VanDerWaalsContact SG-SG 3.66Å | ||
| 438 | A | 96.2 | Very high | 83.1 | Confident | 40 Ų | 40 | 97.8 Ų | 97.8 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F436 R455 I456 L457 | F436-A438 PolarHBondContact O-N 2.93Å; A438-R455 HydrophobicContact CB-CB 4.07Å; A438-R455 HydrophobicContact CB-CG 4.44Å; A438-I456 WeakPolarHBondContact CB-O 3.4Å; A438-I456 PolarHBondContact N-O 2.97Å; A438-L457 HydrophobicContact CB-CD2 4.17Å |
| 439 | Q | 95.9 | Very high | 84.9 | Confident | 89 Ų | 89 | 96.9 Ų | 96.9 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -56.8 | 180 | -74.4 | 177.7 | 2.6 | 0 | 0 | 114.1 | C437 L457 C461 N465 | C437-Q439 PolarHBondContact O-N 3.29Å; Q439-L457 HydrophobicContact CB-CD2 4.08Å; Q439-L457 HydrophobicContact CG-CD2 3.66Å; Q439-C461 HydrophobicContact CB-CB 4.4Å; Q439-N465 PolarHBondContact NE2-ND2 3.01Å; Q439-N465 PolarHBondContact OE1-ND2 3.48Å; Q439-N465 PolarHBondContact OE1-OD1 3.12Å |
| 440 | C | 96.3 | Very high | 86.8 | Confident | 70 Ų | 70 | 97.2 Ų | 97.2 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.4 | -177.8 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | T442 C461 | C440-T442 PolarHBondContact O-N 3.34Å; C440-T442 VanDerWaalsContact SG-CG2 3.54Å; C440-C461 VanDerWaalsContact SG-SG 3.63Å |
| 441 | R | 96.2 | Very high | 88.5 | Confident | 185 Ų | 185 | 97.4 Ų | 97.4 | 70% | 0.698 | 47% | 0.467 | S | S | * | . | trans | 56.5 | 13.4 | -178.4 | -56.8 | -63.5 | -170.2 | 163.9 | 4.4 | 115.8 | C437 D443 | C437-R441 WeakPolarHBondContact O-CA 3.49Å; C437-R441 PolarHBondContact O-N 2.97Å; R441-D443 PolarHBondContact O-N 2.8Å | ||
| 442 | T | 95.3 | Very high | 90.1 | Very high | 42 Ų | 42 | 96.8 Ų | 96.8 | 26% | 0.258 | 47% | 0.471 | S | S | . | . | trans | -55.5 | 140.4 | 165.7 | -163.6 | 0 | 0 | 0 | 0 | 109.4 | F436 C437 C440 F444 W448 C458 | F436-T442 CarbonylContact C-O 3.58Å; F436-T442 WeakPolarHBondContact CA-O 3.48Å; C437-T442 HydrophobicContact CB-CG2 3.71Å; C437-T442 PolarHBondContact N-O 3.06Å; C440-T442 PolarHBondContact O-N 3.34Å; C440-T442 VanDerWaalsContact SG-CG2 3.54Å; T442-F444 WeakPolarHBondContact CG2-O 3.45Å; T442-F444 PolarHBondContact OG1-N 3.32Å; T442-F444 PolarHBondContact OG1-O 3.44Å; T442-W448 HydrophobicContact CG2-CH2 4.18Å; T442-W448 WeakPolarHBondContact O-CH2 3.47Å; T442-C458 HydrophobicContact CG2-CB 3.7Å | ||
| 443 | D | 94.4 | Very high | 91.4 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -93.9 | -12.3 | 169.6 | 53 | -5.5 | 0 | 0 | 0 | 112 | F436 R441 W448 | F436-D443 HydrophobicContact CD1-CB 3.87Å; F436-D443 HydrophobicContact CE1-CB 3.64Å; F436-D443 HydrophobicContact CZ-CB 4.41Å; R441-D443 PolarHBondContact O-N 2.8Å; D443-W448 WeakPolarHBondContact O-CZ2 3.29Å |
| 444 | F | 93 | Very high | 92.3 | Very high | 151 Ų | 151 | 87 Ų | 87 | 66% | 0.662 | 44% | 0.442 | S | S | * | . | trans | -119.7 | 139.9 | 179.4 | -177.3 | -98.6 | 0 | 0 | 0 | 113 | T442 | T442-F444 WeakPolarHBondContact CG2-O 3.45Å; T442-F444 PolarHBondContact OG1-N 3.32Å; T442-F444 PolarHBondContact OG1-O 3.44Å | ||
| 445 | T | 92.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 89.7 Ų | 89.7 | 10% | 0.104 | 44% | 0.441 | C | S | . | . | trans | -166.1 | 148 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | H447 W448 C458 E459 | T445-H447 WeakPolarHBondContact CG2-O 3.16Å; T445-H447 PolarHBondContact O-N 2.94Å; T445-H447 PolarHBondContact OG1-N 2.94Å; T445-H447 PolarHBondContact OG1-O 3.43Å; T445-W448 HydrophobicContact CG2-CD2 3.23Å; T445-W448 HydrophobicContact CG2-CE3 3.51Å; T445-W448 HydrophobicContact CG2-CG 3.76Å; T445-W448 HydrophobicContact CG2-CH2 3.76Å; T445-W448 HydrophobicContact CG2-CZ2 3.5Å; T445-W448 VanDerWaalsContact CG2-CZ2 3.5Å; T445-W448 HydrophobicContact CG2-CZ3 3.76Å; T445-C458 HydrophobicContact CG2-CB 3.94Å; T445-C458 WeakPolarHBondContact OG1-CB 3.4Å; T445-E459 PolarHBondContact OG1-N 3.48Å; T445-E459 VanDerWaalsContact OG1-N 3.13Å | ||
| 446 | P | 87.4 | Confident | 92.9 | Very high | 99 Ų | 99 | 87.1 Ų | 87.1 | 64% | 0.643 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -61.9 | -29.9 | 174 | -21.8 | 33.7 | 0 | 0 | 0 | 112.7 | ||
| 447 | H | 85.8 | Confident | 93 | Very high | 79 Ų | 79 | 82.6 Ų | 82.6 | 37% | 0.366 | 41% | 0.411 | S | S | . | . | trans | -142.9 | 139.2 | 175.8 | -162.8 | 61.8 | 0 | 0 | 0 | 113.1 | H395 T445 E459 | H395-H447 AromaticContact CD2-CD2 3.87Å; H395-H447 AromaticContact CD2-CE1 3.74Å; H395-H447 AromaticContact CD2-CG 3.71Å; H395-H447 AromaticContact CD2-ND1 3.61Å; H395-H447 AromaticContact CD2-NE2 3.86Å; H395-H447 AromaticContact CE1-CE1 3.89Å; H395-H447 AromaticContact CE1-NE2 3.87Å; H395-H447 AromaticContact NE2-CD2 3.34Å; H395-H447 PolarHBondContact NE2-CD2 2.99Å; H395-H447 VanDerWaalsContact NE2-CD2 3.34Å; H395-H447 AromaticContact NE2-CE1 3.05Å; H395-H447 PolarHBondContact NE2-CE1 3.2Å; H395-H447 AromaticContact NE2-CG 3.59Å; H395-H447 AromaticContact NE2-ND1 3.42Å; H395-H447 PolarHBondContact NE2-ND1 2.95Å; H395-H447 AromaticContact NE2-NE2 2.95Å; H395-H447 PolarHBondContact NE2-NE2 3.07Å; T445-H447 WeakPolarHBondContact CG2-O 3.16Å; T445-H447 PolarHBondContact O-N 2.94Å; T445-H447 PolarHBondContact OG1-N 2.94Å; T445-H447 PolarHBondContact OG1-O 3.43Å; H447-E459 PolarHBondContact O-N 2.99Å | ||
| 448 | W | 92.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 82.9 Ų | 82.9 | 22% | 0.22 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.5 | 174.2 | -73.7 | 115.1 | 0 | 0 | 0 | 110.3 | F435 C437 T442 D443 T445 I456 C458 | F435-W448 HydrophobicContact CB-CD2 3.66Å; F435-W448 VanDerWaalsContact CB-CE2 3.42Å; F435-W448 HydrophobicContact CB-CE3 4.2Å; F435-W448 HydrophobicContact CB-CG 4.05Å; F435-W448 HydrophobicContact CB-CH2 4.31Å; F435-W448 HydrophobicContact CB-CZ2 3.78Å; F435-W448 HydrophobicContact CD2-CB 4.39Å; F435-W448 AromaticContact CD2-CD1 3.61Å; F435-W448 HydrophobicContact CD2-CD2 4.42Å; F435-W448 AromaticContact CD2-CG 3.9Å; F435-W448 HydrophobicContact CD2-CG 3.9Å; F435-W448 AromaticContact CD2-NE1 3.95Å; F435-W448 HydrophobicContact CG-CD2 4.35Å; F435-W448 HydrophobicContact CG-CG 4.25Å; F435-W448 WeakPolarHBondContact O-CH2 3.2Å; F435-W448 WeakPolarHBondContact O-CZ2 3.49Å; C437-W448 HydrophobicContact CB-CH2 4.12Å; C437-W448 HydrophobicContact CB-CZ3 3.82Å; T442-W448 HydrophobicContact CG2-CH2 4.18Å; T442-W448 WeakPolarHBondContact O-CH2 3.47Å; D443-W448 WeakPolarHBondContact O-CZ2 3.29Å; T445-W448 HydrophobicContact CG2-CD2 3.23Å; T445-W448 HydrophobicContact CG2-CE3 3.51Å; T445-W448 HydrophobicContact CG2-CG 3.76Å; T445-W448 HydrophobicContact CG2-CH2 3.76Å; T445-W448 HydrophobicContact CG2-CZ2 3.5Å; T445-W448 VanDerWaalsContact CG2-CZ2 3.5Å; T445-W448 HydrophobicContact CG2-CZ3 3.76Å; W448-I456 HydrophobicContact CB-CG2 4.34Å; W448-I456 HydrophobicContact CD2-CG2 3.98Å; W448-I456 HydrophobicContact CE3-CG2 3.35Å; W448-I456 HydrophobicContact CG-CG2 4.43Å; W448-I456 HydrophobicContact CZ3-CG2 3.95Å; W448-C458 HydrophobicContact CH2-CB 4.48Å; W448-C458 HydrophobicContact CZ3-CB 3.99Å |
| 449 | K | 91.1 | Very high | 92.8 | Very high | 91 Ų | 91 | 85.2 Ų | 85.2 | 40% | 0.396 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.7 | 175.5 | -163.7 | 173.9 | -168.3 | 168.9 | 0 | 111.2 | L457 M462 | K449-L457 PolarHBondContact N-O 3.41Å; K449-L457 PolarHBondContact O-N 3.24Å; K449-M462 HydrophobicContact CB-CG 4.43Å; K449-M462 HydrophobicContact CD-CG 3.75Å; K449-M462 HydrophobicContact CD-SD 4.24Å |
| 450 | Q | 93.6 | Very high | 92.7 | Very high | 129 Ų | 129 | 87.9 Ų | 87.9 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.8 | 169.4 | -164.2 | 166 | 39.2 | 0 | 0 | 110 | G454 R455 I456 | Q450-G454 WeakPolarHBondContact CG-O 3.47Å; Q450-G454 PolarHBondContact NE2-O 2.89Å; Q450-R455 WeakPolarHBondContact CA-O 3.46Å; Q450-I456 HydrophobicContact CB-CD1 3.69Å; Q450-I456 HydrophobicContact CG-CD1 3.75Å |
| 451 | E | 90.8 | Very high | 92.6 | Very high | 69 Ų | 69 | 85.4 Ų | 85.4 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | trans | -73.6 | 162.2 | 167.7 | -72.9 | -168 | 155.5 | 0 | 0 | 111.1 | S453 G454 R455 L457 | E451-S453 VanDerWaalsContact CB-OG 3.28Å; E451-S453 WeakPolarHBondContact CB-OG 3.45Å; E451-S453 PolarHBondContact O-N 2.97Å; E451-S453 PolarHBondContact OE2-OG 3.1Å; E451-G454 PolarHBondContact O-N 3.43Å; E451-R455 PolarHBondContact N-O 3.26Å; E451-R455 IonicContact OE2-NE 2.71Å; E451-R455 IonicContact OE2-NH2 2.82Å; E451-L457 HydrophobicContact CG-CD1 3.91Å; E451-L457 HydrophobicContact CG-CG 4.42Å; E451-L457 VanDerWaalsContact OE1-CD1 3.31Å; E451-L457 WeakPolarHBondContact OE1-CD1 3.42Å | ||
| 452 | K | 89.3 | Confident | 92.5 | Very high | 228 Ų | 228 | 77.9 Ų | 77.9 | 99% | 0.991 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -18.4 | 167.8 | -61 | -175.9 | 179.4 | -175 | 0 | 113.6 | G454 | K452-G454 PolarHBondContact O-N 3.27Š|
| 453 | S | 90.6 | Very high | 92.3 | Very high | 65 Ų | 65 | 78.9 Ų | 78.9 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.6 | 174.7 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | E451 R455 | E451-S453 VanDerWaalsContact CB-OG 3.28Å; E451-S453 WeakPolarHBondContact CB-OG 3.45Å; E451-S453 PolarHBondContact O-N 2.97Å; E451-S453 PolarHBondContact OE2-OG 3.1Å; S453-R455 PolarHBondContact O-N 2.83Å; S453-R455 PolarHBondContact OG-NE 2.66Å |
| 454 | G | 90.8 | Very high | 92.2 | Very high | 41 Ų | 41 | 76 Ų | 76 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 77.2 | -12.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q450 E451 K452 | Q450-G454 WeakPolarHBondContact CG-O 3.47Å; Q450-G454 PolarHBondContact NE2-O 2.89Å; E451-G454 PolarHBondContact O-N 3.43Å; K452-G454 PolarHBondContact O-N 3.27Å |
| 455 | R | 94.1 | Very high | 92.2 | Very high | 139 Ų | 139 | 70.4 Ų | 70.4 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | trans | -73 | 133.6 | -177.5 | -65 | -170.8 | -64.9 | -143.2 | -0.6 | 112.2 | A438 Q450 E451 S453 | A438-R455 HydrophobicContact CB-CB 4.07Å; A438-R455 HydrophobicContact CB-CG 4.44Å; Q450-R455 WeakPolarHBondContact CA-O 3.46Å; E451-R455 PolarHBondContact N-O 3.26Å; E451-R455 IonicContact OE2-NE 2.71Å; E451-R455 IonicContact OE2-NH2 2.82Å; S453-R455 PolarHBondContact O-N 2.83Å; S453-R455 PolarHBondContact OG-NE 2.66Å | ||
| 456 | I | 94.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.8 | 174.4 | -54.3 | -61.9 | 0 | 0 | 0 | 109.8 | F435 A438 W448 Q450 | F435-I456 HydrophobicContact CB-CG2 4.09Å; F435-I456 HydrophobicContact CD1-CD1 4.45Å; F435-I456 HydrophobicContact CD1-CG1 4.06Å; F435-I456 HydrophobicContact CD1-CG2 4.24Å; F435-I456 HydrophobicContact CE1-CD1 4.41Å; F435-I456 HydrophobicContact CE1-CG1 4.42Å; F435-I456 HydrophobicContact CG-CG2 4.27Å; A438-I456 WeakPolarHBondContact CB-O 3.4Å; A438-I456 PolarHBondContact N-O 2.97Å; W448-I456 HydrophobicContact CB-CG2 4.34Å; W448-I456 HydrophobicContact CD2-CG2 3.98Å; W448-I456 HydrophobicContact CE3-CG2 3.35Å; W448-I456 HydrophobicContact CG-CG2 4.43Å; W448-I456 HydrophobicContact CZ3-CG2 3.95Å; Q450-I456 HydrophobicContact CB-CD1 3.69Å; Q450-I456 HydrophobicContact CG-CD1 3.75Å |
| 457 | L | 96 | Very high | 92.2 | Very high | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.5 | 176.2 | -64.4 | -178.1 | 0 | 0 | 0 | 111.2 | A438 Q439 K449 E451 C461 | A438-L457 HydrophobicContact CB-CD2 4.17Å; Q439-L457 HydrophobicContact CB-CD2 4.08Å; Q439-L457 HydrophobicContact CG-CD2 3.66Å; K449-L457 PolarHBondContact N-O 3.41Å; K449-L457 PolarHBondContact O-N 3.24Å; E451-L457 HydrophobicContact CG-CD1 3.91Å; E451-L457 HydrophobicContact CG-CG 4.42Å; E451-L457 VanDerWaalsContact OE1-CD1 3.31Å; E451-L457 WeakPolarHBondContact OE1-CD1 3.42Å; L457-C461 HydrophobicContact CB-CB 4.47Å; L457-C461 HydrophobicContact CD2-CB 4.44Å |
| 458 | C | 95.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.034 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 160.5 | 167.2 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | C437 T442 T445 W448 Q460 C461 M462 | C437-C458 HydrophobicContact CB-CB 4.09Å; C437-C458 PolarHBondContact SG-N 3.01Å; C437-C458 VanDerWaalsContact SG-N 3.41Å; T442-C458 HydrophobicContact CG2-CB 3.7Å; T445-C458 HydrophobicContact CG2-CB 3.94Å; T445-C458 WeakPolarHBondContact OG1-CB 3.4Å; W448-C458 HydrophobicContact CH2-CB 4.48Å; W448-C458 HydrophobicContact CZ3-CB 3.99Å; C458-Q460 VanDerWaalsContact C-N 3.28Å; C458-Q460 PolarHBondContact O-N 2.93Å; C458-C461 PolarHBondContact O-N 3.37Å; C458-C461 PolarHBondContact SG-N 3.01Å; C458-C461 VanDerWaalsContact SG-SG 3.62Å; C458-M462 WeakPolarHBondContact O-CB 3.34Å; C458-M462 PolarHBondContact O-N 3.06Å |
| 459 | E | 92.8 | Very high | 92.3 | Very high | 89 Ų | 89 | 77.4 Ų | 77.4 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -53.6 | -42.7 | -179.3 | -174.7 | -178 | 173.6 | 0 | 0 | 112.8 | T445 H447 M462 T463 | T445-E459 PolarHBondContact OG1-N 3.48Å; T445-E459 VanDerWaalsContact OG1-N 3.13Å; H447-E459 PolarHBondContact O-N 2.99Å; E459-M462 PolarHBondContact O-N 2.93Å; E459-T463 WeakPolarHBondContact O-CB 3.32Å; E459-T463 PolarHBondContact O-N 3.03Å; E459-T463 PolarHBondContact O-OG1 3.26Å |
| 460 | Q | 94.4 | Very high | 92.1 | Very high | 146 Ų | 146 | 75.2 Ų | 75.2 | 68% | 0.682 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | -179.9 | -172.7 | 61.3 | 21.9 | 0 | 0 | 112.4 | C458 S464 | C458-Q460 VanDerWaalsContact C-N 3.28Å; C458-Q460 PolarHBondContact O-N 2.93Å; Q460-S464 WeakPolarHBondContact O-CB 3.35Å; Q460-S464 PolarHBondContact O-N 3.47Å |
| 461 | C | 95.2 | Very high | 91.9 | Very high | 17 Ų | 17 | 75.6 Ų | 75.6 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 175.7 | -79.5 | 0 | 0 | 0 | 0 | 111.3 | C437 Q439 C440 L457 C458 T463 S464 N465 | C437-C461 VanDerWaalsContact SG-SG 3.66Å; Q439-C461 HydrophobicContact CB-CB 4.4Å; C440-C461 VanDerWaalsContact SG-SG 3.63Å; L457-C461 HydrophobicContact CB-CB 4.47Å; L457-C461 HydrophobicContact CD2-CB 4.44Å; C458-C461 PolarHBondContact O-N 3.37Å; C458-C461 PolarHBondContact SG-N 3.01Å; C458-C461 VanDerWaalsContact SG-SG 3.62Å; C461-T463 PolarHBondContact O-N 3.47Å; C461-S464 PolarHBondContact O-N 3.15Å; C461-N465 WeakPolarHBondContact O-CB 3.44Å; C461-N465 PolarHBondContact O-N 3.13Å; C461-N465 PolarHBondContact O-ND2 3.31Å |
| 462 | M | 93.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 75.1 Ų | 75.1 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.6 | -51 | 176.5 | -172.2 | -75.6 | -59.8 | 0 | 0 | 111.2 | L393 K449 C458 E459 N465 Q466 | L393-M462 HydrophobicContact CD1-CE 3.87Å; K449-M462 HydrophobicContact CB-CG 4.43Å; K449-M462 HydrophobicContact CD-CG 3.75Å; K449-M462 HydrophobicContact CD-SD 4.24Å; C458-M462 WeakPolarHBondContact O-CB 3.34Å; C458-M462 PolarHBondContact O-N 3.06Å; E459-M462 PolarHBondContact O-N 2.93Å; M462-N465 PolarHBondContact O-N 3.07Å; M462-Q466 WeakPolarHBondContact O-CB 3.33Å; M462-Q466 PolarHBondContact O-N 3.46Å |
| 463 | T | 90.8 | Very high | 91.9 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | E459 C461 Q466 K467 | E459-T463 WeakPolarHBondContact O-CB 3.32Å; E459-T463 PolarHBondContact O-N 3.03Å; E459-T463 PolarHBondContact O-OG1 3.26Å; C461-T463 PolarHBondContact O-N 3.47Å; T463-Q466 PolarHBondContact O-N 3.22Å; T463-K467 WeakPolarHBondContact O-CB 3.31Å; T463-K467 PolarHBondContact O-N 2.84Å |
| 464 | S | 93 | Very high | 91.6 | Very high | 46 Ų | 46 | 68 Ų | 68 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.1 | -174.3 | 0 | 0 | 0 | 0 | 112 | Q460 C461 K467 K468 | Q460-S464 WeakPolarHBondContact O-CB 3.35Å; Q460-S464 PolarHBondContact O-N 3.47Å; C461-S464 PolarHBondContact O-N 3.15Å; S464-K467 PolarHBondContact O-N 3.16Å; S464-K468 VanDerWaalsContact O-CG 3.28Å; S464-K468 WeakPolarHBondContact O-CG 3.23Å; S464-K468 PolarHBondContact O-N 3.37Å |
| 465 | N | 92.3 | Very high | 91.6 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 177.9 | -64.6 | -27.8 | 0 | 0 | 0 | 112 | Q439 C461 M462 K467 K468 A469 | Q439-N465 PolarHBondContact NE2-ND2 3.01Å; Q439-N465 PolarHBondContact OE1-ND2 3.48Å; Q439-N465 PolarHBondContact OE1-OD1 3.12Å; C461-N465 WeakPolarHBondContact O-CB 3.44Å; C461-N465 PolarHBondContact O-N 3.13Å; C461-N465 PolarHBondContact O-ND2 3.31Å; M462-N465 PolarHBondContact O-N 3.07Å; N465-K467 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.4Å; N465-K468 PolarHBondContact O-N 3.1Å; N465-A469 WeakPolarHBondContact O-CB 3.49Å; N465-A469 PolarHBondContact O-N 3.03Å |
| 466 | Q | 89.9 | Confident | 91.4 | Very high | 75 Ų | 75 | 66.9 Ų | 66.9 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175 | -168.5 | 168.5 | 33.4 | 0 | 0 | 111.3 | M462 T463 K468 A469 L470 | M462-Q466 WeakPolarHBondContact O-CB 3.33Å; M462-Q466 PolarHBondContact O-N 3.46Å; T463-Q466 PolarHBondContact O-N 3.22Å; Q466-K468 PolarHBondContact O-N 2.93Å; Q466-A469 PolarHBondContact O-N 2.8Å; Q466-L470 HydrophobicContact CG-CD1 4.27Å; Q466-L470 WeakPolarHBondContact O-CG 3.26Å; Q466-L470 PolarHBondContact O-N 3.07Å |
| 467 | K | 89.5 | Confident | 91.1 | Very high | 138 Ų | 138 | 70.5 Ų | 70.5 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 174.2 | -171.7 | 172.1 | -174.8 | 171.5 | 0 | 112.4 | T463 S464 N465 K471 | T463-K467 WeakPolarHBondContact O-CB 3.31Å; T463-K467 PolarHBondContact O-N 2.84Å; S464-K467 PolarHBondContact O-N 3.16Å; N465-K467 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.4Å; K467-K471 WeakPolarHBondContact O-CB 3.38Å; K467-K471 VanDerWaalsContact O-CG 3.3Å; K467-K471 WeakPolarHBondContact O-CG 3.46Å; K467-K471 PolarHBondContact O-N 2.83Å; K467-K471 VanDerWaalsContact O-N 3.08Å |
| 468 | K | 92.5 | Very high | 90.7 | Very high | 128 Ų | 128 | 72.6 Ų | 72.6 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 174.1 | -72.6 | 169 | -174.1 | 175.9 | 0 | 111.8 | S464 N465 Q466 K471 A472 | S464-K468 VanDerWaalsContact O-CG 3.28Å; S464-K468 WeakPolarHBondContact O-CG 3.23Å; S464-K468 PolarHBondContact O-N 3.37Å; N465-K468 PolarHBondContact O-N 3.1Å; Q466-K468 PolarHBondContact O-N 2.93Å; K468-K471 PolarHBondContact O-N 2.91Å; K468-A472 WeakPolarHBondContact O-CB 3.26Å; K468-A472 PolarHBondContact O-N 3.46Å |
| 469 | A | 89.2 | Confident | 90.4 | Very high | 59 Ų | 59 | 78.8 Ų | 78.8 | 49% | 0.488 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N465 Q466 K471 A472 E473 | N465-A469 WeakPolarHBondContact O-CB 3.49Å; N465-A469 PolarHBondContact O-N 3.03Å; Q466-A469 PolarHBondContact O-N 2.8Å; A469-K471 VanDerWaalsContact C-N 3.34Å; A469-K471 PolarHBondContact O-N 3.42Å; A469-A472 PolarHBondContact O-N 3.32Å; A469-E473 WeakPolarHBondContact O-CB 3.28Å; A469-E473 PolarHBondContact O-N 3.12Å |
| 470 | L | 86.8 | Confident | 90.2 | Very high | 45 Ų | 45 | 78.6 Ų | 78.6 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 177.4 | -66.6 | 173.4 | 0 | 0 | 0 | 112.4 | P387 Q466 H474 | P387-L470 HydrophobicContact CB-CB 4.39Å; P387-L470 HydrophobicContact CB-CD2 4.15Å; P387-L470 HydrophobicContact CG-CB 4.43Å; Q466-L470 HydrophobicContact CG-CD1 4.27Å; Q466-L470 WeakPolarHBondContact O-CG 3.26Å; Q466-L470 PolarHBondContact O-N 3.07Å; L470-H474 WeakPolarHBondContact O-CB 3.42Å; L470-H474 PolarHBondContact O-N 2.65Å |
| 471 | K | 89.1 | Confident | 89.7 | Confident | 136 Ų | 136 | 72.7 Ų | 72.7 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 171.8 | -80.4 | -175.9 | 171.6 | -160.8 | 0 | 111.8 | K467 K468 A469 E473 H474 T475 | K467-K471 WeakPolarHBondContact O-CB 3.38Å; K467-K471 VanDerWaalsContact O-CG 3.3Å; K467-K471 WeakPolarHBondContact O-CG 3.46Å; K467-K471 PolarHBondContact O-N 2.83Å; K467-K471 VanDerWaalsContact O-N 3.08Å; K468-K471 PolarHBondContact O-N 2.91Å; A469-K471 VanDerWaalsContact C-N 3.34Å; A469-K471 PolarHBondContact O-N 3.42Å; K471-E473 VanDerWaalsContact C-N 3.32Å; K471-E473 PolarHBondContact O-N 2.85Å; K471-H474 PolarHBondContact O-N 3.27Å; K471-T475 PolarHBondContact O-N 3.39Å; K471-T475 PolarHBondContact O-OG1 2.95Å; K471-T475 VanDerWaalsContact O-OG1 3.12Å |
| 472 | A | 91 | Very high | 89.2 | Confident | 60 Ų | 60 | 77.4 Ų | 77.4 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | K468 A469 T475 N476 | K468-A472 WeakPolarHBondContact O-CB 3.26Å; K468-A472 PolarHBondContact O-N 3.46Å; A469-A472 PolarHBondContact O-N 3.32Å; A472-T475 PolarHBondContact O-N 2.99Å; A472-N476 VanDerWaalsContact O-CB 3.27Å; A472-N476 WeakPolarHBondContact O-CB 3.48Å; A472-N476 PolarHBondContact O-N 3.42Å |
| 473 | E | 88.1 | Confident | 89.1 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 174.1 | -167.7 | -161.3 | 159.3 | 0 | 0 | 111.5 | A469 K471 T475 N476 R477 | A469-E473 WeakPolarHBondContact O-CB 3.28Å; A469-E473 PolarHBondContact O-N 3.12Å; K471-E473 VanDerWaalsContact C-N 3.32Å; K471-E473 PolarHBondContact O-N 2.85Å; E473-T475 PolarHBondContact O-N 3.08Å; E473-N476 WeakPolarHBondContact O-CB 3.42Å; E473-N476 PolarHBondContact O-N 2.78Å; E473-N476 VanDerWaalsContact O-N 3.11Å; E473-R477 WeakPolarHBondContact O-CG 3.3Å; E473-R477 PolarHBondContact O-N 2.85Å; E473-R477 IonicContact OE1-CZ 3.75Å; E473-R477 IonicContact OE1-NE 2.66Å; E473-R477 PolarHBondContact OE1-NE 3.03Å; E473-R477 IonicContact OE1-NH2 3.75Å; E473-R477 PolarHBondContact OE1-NH2 3.31Å |
| 474 | H | 85.3 | Confident | 88.9 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 30% | 0.296 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.5 | 179.3 | 71.9 | 0 | 0 | 0 | 112 | L470 K471 N476 R477 L478 | L470-H474 WeakPolarHBondContact O-CB 3.42Å; L470-H474 PolarHBondContact O-N 2.65Å; K471-H474 PolarHBondContact O-N 3.27Å; H474-N476 VanDerWaalsContact C-N 3.29Å; H474-N476 PolarHBondContact O-N 2.84Å; H474-R477 PolarHBondContact O-N 2.97Å; H474-L478 WeakPolarHBondContact O-CG 3.42Å; H474-L478 PolarHBondContact O-N 2.85Å |
| 475 | T | 89.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 83.5 Ų | 83.5 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -34.8 | 172.8 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | K471 A472 E473 K479 | K471-T475 PolarHBondContact O-N 3.39Å; K471-T475 PolarHBondContact O-OG1 2.95Å; K471-T475 VanDerWaalsContact O-OG1 3.12Å; A472-T475 PolarHBondContact O-N 2.99Å; E473-T475 PolarHBondContact O-N 3.08Å; T475-K479 HydrophobicContact CG2-CD 4.35Å; T475-K479 WeakPolarHBondContact O-CB 3.34Å; T475-K479 WeakPolarHBondContact O-CG 3.26Å; T475-K479 PolarHBondContact O-N 2.59Å |
| 476 | N | 91.5 | Very high | 88 | Confident | 89 Ų | 89 | 86.4 Ų | 86.4 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.9 | -44 | 176.5 | -164 | -64.1 | 0 | 0 | 0 | 111.2 | A472 E473 H474 L478 K479 N480 | A472-N476 VanDerWaalsContact O-CB 3.27Å; A472-N476 WeakPolarHBondContact O-CB 3.48Å; A472-N476 PolarHBondContact O-N 3.42Å; E473-N476 WeakPolarHBondContact O-CB 3.42Å; E473-N476 PolarHBondContact O-N 2.78Å; E473-N476 VanDerWaalsContact O-N 3.11Å; H474-N476 VanDerWaalsContact C-N 3.29Å; H474-N476 PolarHBondContact O-N 2.84Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 3.13Å; N476-K479 PolarHBondContact O-N 3.35Å; N476-N480 VanDerWaalsContact O-CG 3.24Å; N476-N480 PolarHBondContact O-N 3.41Å; N476-N480 PolarHBondContact O-ND2 3.31Å; N476-N480 PolarHBondContact OD1-ND2 2.9Å |
| 477 | R | 88.3 | Confident | 87.9 | Confident | 109 Ų | 109 | 88.2 Ų | 88.2 | 41% | 0.411 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.5 | -46.9 | 171.8 | -68.9 | 174.5 | -178.6 | -148.5 | 1 | 111.6 | E473 H474 N480 A481 | E473-R477 WeakPolarHBondContact O-CG 3.3Å; E473-R477 PolarHBondContact O-N 2.85Å; E473-R477 IonicContact OE1-CZ 3.75Å; E473-R477 IonicContact OE1-NE 2.66Å; E473-R477 PolarHBondContact OE1-NE 3.03Å; E473-R477 IonicContact OE1-NH2 3.75Å; E473-R477 PolarHBondContact OE1-NH2 3.31Å; H474-R477 PolarHBondContact O-N 2.97Å; R477-N480 PolarHBondContact O-N 3.34Å; R477-A481 PolarHBondContact O-N 3.33Å |
| 478 | L | 86.2 | Confident | 87.6 | Confident | 46 Ų | 46 | 85.8 Ų | 85.8 | 24% | 0.241 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.7 | -51.7 | 174.4 | -76.7 | 165.8 | 0 | 0 | 0 | 112 | L381 I384 H474 N476 N480 A481 F482 | L381-L478 HydrophobicContact CD2-CD2 3.62Å; I384-L478 HydrophobicContact CD1-CD2 3.79Å; I384-L478 HydrophobicContact CD1-CG 4.23Å; H474-L478 WeakPolarHBondContact O-CG 3.42Å; H474-L478 PolarHBondContact O-N 2.85Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 3.13Å; L478-N480 VanDerWaalsContact C-N 3.32Å; L478-N480 PolarHBondContact O-N 3.42Å; L478-A481 WeakPolarHBondContact O-CB 3.4Å; L478-A481 PolarHBondContact O-N 3.38Å; L478-A481 VanDerWaalsContact O-N 3.13Å; L478-F482 WeakPolarHBondContact O-CD2 3.37Å; L478-F482 PolarHBondContact O-N 2.83Å |
| 479 | K | 88.9 | Confident | 87.1 | Confident | 136 Ų | 136 | 81.7 Ų | 81.7 | 59% | 0.591 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.4 | -43.3 | 178.3 | -76.1 | 176.8 | 177.3 | -172.9 | 0 | 112.2 | T475 N476 A481 F482 V483 | T475-K479 HydrophobicContact CG2-CD 4.35Å; T475-K479 WeakPolarHBondContact O-CB 3.34Å; T475-K479 WeakPolarHBondContact O-CG 3.26Å; T475-K479 PolarHBondContact O-N 2.59Å; N476-K479 PolarHBondContact O-N 3.35Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.04Å; K479-F482 PolarHBondContact O-N 3.48Å; K479-V483 WeakPolarHBondContact O-CG2 3.34Å; K479-V483 PolarHBondContact O-N 2.98Å |
| 480 | N | 88.8 | Confident | 87 | Confident | 85 Ų | 85 | 84.1 Ų | 84.1 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 177.8 | -66.2 | -27.2 | 0 | 0 | 0 | 112.3 | N476 R477 L478 K484 | N476-N480 VanDerWaalsContact O-CG 3.24Å; N476-N480 PolarHBondContact O-N 3.41Å; N476-N480 PolarHBondContact O-ND2 3.31Å; N476-N480 PolarHBondContact OD1-ND2 2.9Å; R477-N480 PolarHBondContact O-N 3.34Å; L478-N480 VanDerWaalsContact C-N 3.32Å; L478-N480 PolarHBondContact O-N 3.42Å; N480-K484 WeakPolarHBondContact O-CB 3.46Å; N480-K484 WeakPolarHBondContact O-CG 3.22Å; N480-K484 PolarHBondContact O-N 2.95Å |
| 481 | A | 84.4 | Confident | 87.1 | Confident | 21 Ų | 21 | 85.9 Ų | 85.9 | 17% | 0.174 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L381 I384 R477 L478 K479 V483 K484 A485 | L381-A481 HydrophobicContact CD2-CB 4.34Å; I384-A481 HydrophobicContact CD1-CB 4.43Å; R477-A481 PolarHBondContact O-N 3.33Å; L478-A481 WeakPolarHBondContact O-CB 3.4Å; L478-A481 PolarHBondContact O-N 3.38Å; L478-A481 VanDerWaalsContact O-N 3.13Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.04Å; A481-V483 PolarHBondContact O-N 3.36Å; A481-K484 PolarHBondContact O-N 3.07Å; A481-A485 VanDerWaalsContact O-CB 3.31Å; A481-A485 WeakPolarHBondContact O-CB 3.48Å; A481-A485 PolarHBondContact O-N 2.84Å |
| 482 | F | 85.2 | Confident | 86.8 | Confident | 117 Ų | 117 | 82.2 Ų | 82.2 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 175.9 | -74.4 | -65.1 | 0 | 0 | 0 | 113.9 | L381 L478 K479 A485 L486 | L381-F482 HydrophobicContact CD1-CD1 4.4Å; L381-F482 HydrophobicContact CD1-CE1 3.58Å; L381-F482 HydrophobicContact CD1-CZ 3.67Å; L381-F482 HydrophobicContact CD2-CD2 4.36Å; L381-F482 HydrophobicContact CD2-CE1 4.21Å; L381-F482 HydrophobicContact CD2-CE2 3.79Å; L381-F482 HydrophobicContact CD2-CZ 3.71Å; L381-F482 HydrophobicContact CG-CZ 4.37Å; L478-F482 WeakPolarHBondContact O-CD2 3.37Å; L478-F482 PolarHBondContact O-N 2.83Å; K479-F482 PolarHBondContact O-N 3.48Å; F482-A485 VanDerWaalsContact O-CB 3.32Å; F482-A485 WeakPolarHBondContact O-CB 3.21Å; F482-A485 PolarHBondContact O-N 2.83Å; F482-L486 WeakPolarHBondContact O-CB 3.27Å; F482-L486 PolarHBondContact O-N 3.34Å |
| 483 | V | 90.1 | Very high | 86.5 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 58% | 0.582 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.8 | -43.7 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | K479 A481 A485 L486 Q487 | K479-V483 WeakPolarHBondContact O-CG2 3.34Å; K479-V483 PolarHBondContact O-N 2.98Å; A481-V483 PolarHBondContact O-N 3.36Å; V483-A485 VanDerWaalsContact C-N 3.29Å; V483-A485 PolarHBondContact O-N 3.41Å; V483-L486 PolarHBondContact O-N 3.25Å; V483-Q487 WeakPolarHBondContact O-CB 3.47Å; V483-Q487 PolarHBondContact O-N 2.85Å |
| 484 | K | 86.9 | Confident | 86.5 | Confident | 157 Ų | 157 | 84.5 Ų | 84.5 | 68% | 0.683 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 173.7 | -74.3 | -178.8 | 176.3 | -171.3 | 0 | 112.1 | N480 A481 Q487 Q488 | N480-K484 WeakPolarHBondContact O-CB 3.46Å; N480-K484 WeakPolarHBondContact O-CG 3.22Å; N480-K484 PolarHBondContact O-N 2.95Å; A481-K484 PolarHBondContact O-N 3.07Å; K484-Q487 PolarHBondContact O-N 3.09Å; K484-Q488 WeakPolarHBondContact O-CB 3.3Å; K484-Q488 PolarHBondContact O-N 3.38Å |
| 485 | A | 80.4 | Confident | 86.4 | Confident | 11 Ų | 11 | 88.6 Ų | 88.6 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.6 | -53.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L377 A481 F482 V483 Q487 Q488 E489 | L377-A485 HydrophobicContact CD1-CB 3.54Å; L377-A485 HydrophobicContact CD2-CB 3.33Å; L377-A485 HydrophobicContact CG-CB 3.98Å; A481-A485 VanDerWaalsContact O-CB 3.31Å; A481-A485 WeakPolarHBondContact O-CB 3.48Å; A481-A485 PolarHBondContact O-N 2.84Å; F482-A485 VanDerWaalsContact O-CB 3.32Å; F482-A485 WeakPolarHBondContact O-CB 3.21Å; F482-A485 PolarHBondContact O-N 2.83Å; V483-A485 VanDerWaalsContact C-N 3.29Å; V483-A485 PolarHBondContact O-N 3.41Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 2.79Å; A485-Q488 PolarHBondContact O-N 3.08Å; A485-E489 PolarHBondContact O-N 3.29Å |
| 486 | L | 86.3 | Confident | 86 | Confident | 97 Ų | 97 | 87 Ų | 87 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | -178.9 | -169 | 68.8 | 0 | 0 | 0 | 111.5 | F482 V483 E489 Q490 | F482-L486 WeakPolarHBondContact O-CB 3.27Å; F482-L486 PolarHBondContact O-N 3.34Å; V483-L486 PolarHBondContact O-N 3.25Å; L486-E489 PolarHBondContact O-N 3.37Å; L486-Q490 WeakPolarHBondContact O-CG 3.46Å; L486-Q490 PolarHBondContact O-N 3.15Å |
| 487 | Q | 88.8 | Confident | 85.6 | Confident | 113 Ų | 113 | 88.4 Ų | 88.4 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.7 | -171.8 | 61.3 | 70.4 | 0 | 0 | 112.2 | V483 K484 A485 Q490 E491 | V483-Q487 WeakPolarHBondContact O-CB 3.47Å; V483-Q487 PolarHBondContact O-N 2.85Å; K484-Q487 PolarHBondContact O-N 3.09Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 2.79Å; Q487-Q490 PolarHBondContact O-N 3.46Å; Q487-E491 PolarHBondContact O-N 2.93Å |
| 488 | Q | 82 | Confident | 85.3 | Confident | 87 Ų | 87 | 88.5 Ų | 88.5 | 41% | 0.407 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 177.6 | -164.6 | 179.6 | -4.1 | 0 | 0 | 111.9 | L373 K484 A485 E491 I492 | L373-Q488 HydrophobicContact CD1-CB 4.43Å; L373-Q488 VanDerWaalsContact CD1-CD 3.44Å; L373-Q488 HydrophobicContact CD1-CG 3.8Å; K484-Q488 WeakPolarHBondContact O-CB 3.3Å; K484-Q488 PolarHBondContact O-N 3.38Å; A485-Q488 PolarHBondContact O-N 3.08Å; Q488-E491 PolarHBondContact O-N 2.96Å; Q488-I492 HydrophobicContact CG-CD1 4.34Å; Q488-I492 WeakPolarHBondContact O-CG1 3.38Å; Q488-I492 PolarHBondContact O-N 2.9Å; Q488-I492 VanDerWaalsContact O-N 3.13Å |
| 489 | E | 81.5 | Confident | 84.7 | Confident | 42 Ų | 42 | 92.4 Ų | 92.4 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 171.9 | -170.2 | 170.5 | -172.9 | 0 | 0 | 110.8 | K370 L373 R374 A485 L486 I492 E493 | K370-E489 WeakPolarHBondContact CE-OE1 3.2Å; K370-E489 IonicContact NZ-OE1 3.81Å; K370-E489 PolarHBondContact NZ-OE1 2.69Å; L373-E489 HydrophobicContact CD2-CB 3.83Å; L373-E489 HydrophobicContact CD2-CG 4.38Å; R374-E489 IonicContact NH2-OE1 2.83Å; A485-E489 PolarHBondContact O-N 3.29Å; L486-E489 PolarHBondContact O-N 3.37Å; E489-I492 PolarHBondContact O-N 3.1Å; E489-E493 PolarHBondContact O-N 3.25Å |
| 490 | Q | 87.5 | Confident | 83.8 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 176.2 | -71.4 | 178.5 | 4.2 | 0 | 0 | 113.5 | L486 Q487 E493 Q494 | L486-Q490 WeakPolarHBondContact O-CG 3.46Å; L486-Q490 PolarHBondContact O-N 3.15Å; Q487-Q490 PolarHBondContact O-N 3.46Å; Q490-E493 PolarHBondContact O-N 3.45Å; Q490-Q494 WeakPolarHBondContact O-CB 3.35Å; Q490-Q494 PolarHBondContact O-N 2.86Å |
| 491 | E | 88.8 | Confident | 82.6 | Confident | 82 Ų | 82 | 88.4 Ų | 88.4 | 38% | 0.383 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.1 | -168 | -171.6 | 157.8 | 0 | 0 | 111.6 | Q487 Q488 Q494 R495 | Q487-E491 PolarHBondContact O-N 2.93Å; Q488-E491 PolarHBondContact O-N 2.96Å; E491-Q494 PolarHBondContact O-N 2.87Å; E491-R495 WeakPolarHBondContact O-CB 3.25Å; E491-R495 VanDerWaalsContact O-CG 3.29Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.12Å; E491-R495 IonicContact OE1-CZ 2.69Å; E491-R495 IonicContact OE1-NE 2.9Å; E491-R495 PolarHBondContact OE1-NE 2.98Å; E491-R495 IonicContact OE1-NH2 3.83Å; E491-R495 PolarHBondContact OE1-NH2 3.33Å |
| 492 | I | 83.2 | Confident | 81.3 | Confident | 60 Ų | 60 | 94 Ų | 94 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 177 | -69 | 166.4 | 0 | 0 | 0 | 110.8 | L373 Q488 E489 Q494 R495 L496 | L373-I492 HydrophobicContact CD1-CD1 3.77Å; L373-I492 HydrophobicContact CD2-CD1 4.16Å; L373-I492 HydrophobicContact CG-CD1 4.45Å; Q488-I492 HydrophobicContact CG-CD1 4.34Å; Q488-I492 WeakPolarHBondContact O-CG1 3.38Å; Q488-I492 PolarHBondContact O-N 2.9Å; Q488-I492 VanDerWaalsContact O-N 3.13Å; E489-I492 PolarHBondContact O-N 3.1Å; I492-Q494 PolarHBondContact O-N 3.27Å; I492-R495 PolarHBondContact O-N 2.84Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 PolarHBondContact O-N 3.3Å |
| 493 | E | 84.7 | Confident | 79.3 | Confident | 65 Ų | 65 | 91.9 Ų | 91.9 | 30% | 0.304 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 174.8 | -148.8 | 86.6 | -101.5 | 0 | 0 | 110.2 | Q366 K370 E489 Q490 L496 Q497 | Q366-E493 PolarHBondContact NE2-OE1 3.2Å; K370-E493 IonicContact NZ-OE2 2.82Å; K370-E493 PolarHBondContact NZ-OE2 3.38Å; K370-E493 VanDerWaalsContact NZ-OE2 3.07Å; E489-E493 PolarHBondContact O-N 3.25Å; Q490-E493 PolarHBondContact O-N 3.45Å; E493-L496 PolarHBondContact O-N 3.31Å; E493-Q497 PolarHBondContact O-N 3.45Å; E493-Q497 PolarHBondContact O-OE1 2.78Å |
| 494 | Q | 88.4 | Confident | 77.2 | Confident | 123 Ų | 123 | 92.6 Ų | 92.6 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 178.6 | -178.3 | 177 | 93 | 0 | 0 | 113.3 | Q490 E491 I492 L496 Q497 Q498 | Q490-Q494 WeakPolarHBondContact O-CB 3.35Å; Q490-Q494 PolarHBondContact O-N 2.86Å; E491-Q494 PolarHBondContact O-N 2.87Å; I492-Q494 PolarHBondContact O-N 3.27Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 3.41Å; Q494-Q497 PolarHBondContact O-N 3.46Å; Q494-Q498 WeakPolarHBondContact O-CG 3.26Å; Q494-Q498 PolarHBondContact O-N 3.26Å |
| 495 | R | 83.5 | Confident | 75.1 | Confident | 150 Ų | 150 | 91.1 Ų | 91.1 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -37.8 | 177.2 | -77.4 | 175.4 | -179.5 | -107.6 | 6.2 | 111.4 | E491 I492 Q498 Q499 | E491-R495 WeakPolarHBondContact O-CB 3.25Å; E491-R495 VanDerWaalsContact O-CG 3.29Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.12Å; E491-R495 IonicContact OE1-CZ 2.69Å; E491-R495 IonicContact OE1-NE 2.9Å; E491-R495 PolarHBondContact OE1-NE 2.98Å; E491-R495 IonicContact OE1-NH2 3.83Å; E491-R495 PolarHBondContact OE1-NH2 3.33Å; I492-R495 PolarHBondContact O-N 2.84Å; R495-Q498 PolarHBondContact O-N 3.49Å; R495-Q499 WeakPolarHBondContact O-CG 3.35Å; R495-Q499 PolarHBondContact O-N 3.34Å; R495-Q499 VanDerWaalsContact O-N 3.08Å |
| 496 | L | 81 | Confident | 73.4 | Confident | 33 Ų | 33 | 95.9 Ų | 95.9 | 17% | 0.173 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -74.1 | -39.2 | 178.5 | -173.2 | 63.1 | 0 | 0 | 0 | 112.3 | Q366 I492 E493 Q494 Q498 Q499 A500 | Q366-L496 HydrophobicContact CB-CD2 3.5Å; Q366-L496 HydrophobicContact CG-CD2 3.3Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 PolarHBondContact O-N 3.3Å; E493-L496 PolarHBondContact O-N 3.31Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 3.41Å; L496-Q498 VanDerWaalsContact C-N 3.26Å; L496-Q498 PolarHBondContact O-N 2.99Å; L496-Q499 PolarHBondContact O-N 2.9Å; L496-Q499 VanDerWaalsContact O-N 3.11Å; L496-A500 PolarHBondContact O-N 3.21Å |
| 497 | Q | 82.4 | Confident | 71.4 | Confident | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.6 | -39.7 | 170.4 | -115.8 | 80.4 | 53.7 | 0 | 0 | 111.9 | E493 Q494 A500 A501 | E493-Q497 PolarHBondContact O-N 3.45Å; E493-Q497 PolarHBondContact O-OE1 2.78Å; Q494-Q497 PolarHBondContact O-N 3.46Å; Q497-A500 PolarHBondContact O-N 3.12Å; Q497-A501 WeakPolarHBondContact O-CB 3.44Å; Q497-A501 PolarHBondContact O-N 3.48Å |
| 498 | Q | 81.7 | Confident | 69 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.3 | -73.2 | 177.8 | 16.2 | 0 | 0 | 112.4 | Q494 R495 L496 A501 L502 | Q494-Q498 WeakPolarHBondContact O-CG 3.26Å; Q494-Q498 PolarHBondContact O-N 3.26Å; R495-Q498 PolarHBondContact O-N 3.49Å; L496-Q498 VanDerWaalsContact C-N 3.26Å; L496-Q498 PolarHBondContact O-N 2.99Å; Q498-A501 PolarHBondContact O-N 2.98Å; Q498-L502 VanDerWaalsContact O-CG 3.26Å; Q498-L502 WeakPolarHBondContact O-CG 3.48Å; Q498-L502 PolarHBondContact O-N 2.88Å |
| 499 | Q | 73.8 | Confident | 66.8 | Low | 128 Ų | 128 | 98.5 Ų | 98.5 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.7 | -38.5 | 174.9 | -74 | 179.6 | -9.3 | 0 | 0 | 112.4 | R495 L496 A501 L502 | R495-Q499 WeakPolarHBondContact O-CG 3.35Å; R495-Q499 PolarHBondContact O-N 3.34Å; R495-Q499 VanDerWaalsContact O-N 3.08Å; L496-Q499 PolarHBondContact O-N 2.9Å; L496-Q499 VanDerWaalsContact O-N 3.11Å; Q499-A501 VanDerWaalsContact C-N 3.34Å; Q499-A501 PolarHBondContact O-N 3.42Å; Q499-L502 PolarHBondContact O-N 3.47Å |
| 500 | A | 70.3 | Confident | 64.7 | Low | 52 Ų | 52 | 99.9 Ų | 99.9 | 43% | 0.43 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.3 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L496 Q497 L502 | L496-A500 PolarHBondContact O-N 3.21Å; Q497-A500 PolarHBondContact O-N 3.12Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 3.5Å |
| 501 | A | 63.8 | Low | 62.2 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.5 | -15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q497 Q498 Q499 | Q497-A501 WeakPolarHBondContact O-CB 3.44Å; Q497-A501 PolarHBondContact O-N 3.48Å; Q498-A501 PolarHBondContact O-N 2.98Å; Q499-A501 VanDerWaalsContact C-N 3.34Å; Q499-A501 PolarHBondContact O-N 3.42Å |
| 502 | L | 57.1 | Low | 59.6 | Low | 139 Ų | 139 | 102.6 Ų | 102.6 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 9.6 | -176.9 | -71 | 171.8 | 0 | 0 | 0 | 114.1 | Q498 Q499 A500 P504 | Q498-L502 VanDerWaalsContact O-CG 3.26Å; Q498-L502 WeakPolarHBondContact O-CG 3.48Å; Q498-L502 PolarHBondContact O-N 2.88Å; Q499-L502 PolarHBondContact O-N 3.47Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 3.5Å; L502-P504 VanDerWaalsContact O-CD 3.3Å; L502-P504 WeakPolarHBondContact O-CD 3.41Å |
| 503 | S | 43.2 | Very low | 57.5 | Low | 72 Ų | 72 | 105.7 Ų | 105.7 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | trans | -78.6 | 114.3 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 111 | S505 | S503-S505 PolarHBondContact O-N 3.36Š| ||
| 504 | P | 45.4 | Very low | 55.5 | Low | 110 Ų | 110 | 107.4 Ų | 107.4 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | trans | -76.7 | 112.2 | 179.2 | 30.9 | -32.8 | 0 | 0 | 0 | 110.3 | L502 S506 | L502-P504 VanDerWaalsContact O-CD 3.3Å; L502-P504 WeakPolarHBondContact O-CD 3.41Å; P504-S506 PolarHBondContact O-N 3.06Å | ||
| 505 | S | 44 | Very low | 53.2 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | trans | -68.1 | 102.5 | 169.6 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | S503 | S503-S505 PolarHBondContact O-N 3.36Š| ||
| 506 | S | 44 | Very low | 51.2 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | -121.9 | 79.7 | -176.4 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | P504 | P504-S506 PolarHBondContact O-N 3.06Š| ||
| 507 | A | 44 | Very low | 49 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -151.1 | 79.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 508 | A | 38 | Very low | 46.9 | Very low | 105 Ų | 105 | 115.2 Ų | 115.2 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | trans | -152.7 | 115.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 509 | T | 37.3 | Very low | 44.9 | Very low | 151 Ų | 151 | 118.4 Ų | 118.4 | 93% | 0.926 | 75% | 0.745 | S | S | * | * | trans | -125.8 | 125.4 | -177.5 | -51 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 510 | G | 36.8 | Very low | 43.7 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 99.9 | 140.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 511 | S | 36 | Very low | 42.2 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -165.4 | 159.7 | -11.3 | 40 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 512 | N | 34.1 | Very low | 41.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 86.3 | 116.1 | 154.7 | -64.7 | -16.7 | 0 | 0 | 0 | 122.6 | ||||
| 513 | V | 38.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | 89.4 | 94.4 | 131.6 | 178.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 514 | S | 41.4 | Very low | 40 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 87.6 | 123.5 | 128.4 | -70.6 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 515 | K | 40.7 | Very low | 39.6 | Very low | 185 Ų | 185 | 136 Ų | 136 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 81.9 | 100.2 | 145.3 | -71.6 | -180 | 177.7 | 178.8 | 0 | 120.1 | ||||
| 516 | T | 42.1 | Very low | 39.3 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 52.8 | 103.6 | 130.8 | 57.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 517 | D | 34.3 | Very low | 38.6 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | -153.8 | 161.9 | 93.5 | -169.6 | 31.9 | 0 | 0 | 0 | 111.1 | |||||
| 518 | T | 38.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | -136.5 | 121 | -172.6 | 31.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 519 | M | 40.3 | Very low | 37.4 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | 173.1 | 96.7 | 116.2 | -90.8 | -166 | -147.4 | 0 | 0 | 112.3 | |||||
| 520 | I | 47.5 | Very low | 37.1 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -123.1 | 110.9 | 144.4 | -67.2 | 178.1 | 0 | 0 | 0 | 105.7 | ||||
| 521 | R | 39.9 | Very low | 37.7 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -145.4 | 76.7 | -177.3 | -151.2 | 179.1 | -170.2 | -172.6 | 0.6 | 111.8 | H523 | R521-H523 PolarHBondContact NE-CD2 2.94Å; R521-H523 PolarHBondContact O-N 3.33Å; R521-H523 VanDerWaalsContact O-N 3.1Å | ||
| 522 | Q | 38.8 | Very low | 37.4 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | trans | -72.1 | 97.6 | 161.3 | -76.4 | -175.1 | -14.3 | 0 | 0 | 108.9 | ||||
| 523 | H | 41 | Very low | 37.3 | Very low | 129 Ų | 129 | 151 Ų | 151 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | trans | -105.5 | 125.2 | 165.5 | -115.6 | -80.1 | 0 | 0 | 0 | 108.3 | R521 | R521-H523 PolarHBondContact NE-CD2 2.94Å; R521-H523 PolarHBondContact O-N 3.33Å; R521-H523 VanDerWaalsContact O-N 3.1Å | ||
| 524 | A | 36.9 | Very low | 36.9 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -130.2 | 102.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 525 | L | 37.8 | Very low | 36.4 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -153.9 | 138.6 | 174 | -95.7 | 176.6 | 0 | 0 | 0 | 110.5 | ||||
| 526 | R | 37.6 | Very low | 36 | Very low | 205 Ų | 205 | 150.5 Ų | 150.5 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | 67.5 | 145 | 168.5 | -86 | -177.4 | 70.8 | 163.2 | -0.7 | 116.4 | ||||
| 527 | Q | 28.8 | Very low | 35.5 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 66% | 0.659 | 79% | 0.792 | S | S | * | * | cis | -161 | 158.1 | -2.7 | -148.5 | 173.7 | 7.4 | 0 | 0 | 113.9 | ||||
| 528 | A | 29.5 | Very low | 35.2 | Very low | 89 Ų | 89 | 150.3 Ų | 150.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 9.8 | 141.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 529 | Q | 27.2 | Very low | 34.9 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -153.2 | 141.9 | 139.8 | -125.3 | 172.7 | -7.3 | 0 | 0 | 113.5 | ||||
| 530 | Q | 30.9 | Very low | 34.4 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -161.5 | 159.5 | 171.1 | -139.1 | -159.9 | 25.7 | 0 | 0 | 106.5 | ||||
| 531 | P | 49.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 150.5 Ų | 150.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -115.6 | 161.9 | -52.4 | 33.8 | -21.3 | 0 | 0 | 0 | 112.4 | |||||
| 532 | Q | 28.8 | Very low | 33.2 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -154 | 151.4 | 151.9 | -131.8 | 175.9 | -3.9 | 0 | 0 | 112.1 | ||||
| 533 | A | 32.2 | Very low | 32.9 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -101 | 143.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 534 | S | 30.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -178.4 | 131.6 | 132 | 36.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 535 | L | 32.2 | Very low | 32.3 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 46.3 | 124.8 | 140.2 | -63.8 | 172.1 | 0 | 0 | 0 | 123.1 | ||||
| 536 | Q | 31.9 | Very low | 32.9 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | 85.3 | 112.6 | 133.8 | -72.8 | -173.3 | 39.3 | 0 | 0 | 122.3 | ||||
| 537 | R | 31.3 | Very low | 33.2 | Very low | 223 Ų | 223 | 143.4 Ų | 143.4 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 85.9 | 109.7 | 121.3 | -163.2 | -166.8 | -57.5 | -174.1 | 3.8 | 119.1 | |||||
| 538 | G | 29 | Very low | 33.6 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | 120 | 95.1 | 123.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 539 | L | 32.1 | Very low | 34 | Very low | 178 Ų | 178 | 145 Ų | 145 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | 60.9 | 110.5 | 142.6 | -54 | 177.3 | 0 | 0 | 0 | 120.3 | ||||
| 540 | S | 28.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -100 | 144.3 | 160.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 541 | N | 29.9 | Very low | 35.2 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -101.1 | 132.1 | 171 | -116 | 0.3 | 0 | 0 | 0 | 111.6 | ||||
| 542 | S | 31.9 | Very low | 34.5 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 52.9 | 124.9 | 147.1 | -146.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 543 | A | 33.5 | Very low | 34.5 | Very low | 84 Ų | 84 | 140 Ų | 140 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | trans | 68.1 | 100.2 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 544 | R | 31.9 | Very low | 34.5 | Very low | 260 Ų | 260 | 140.2 Ų | 140.2 | 98% | 0.981 | 81% | 0.81 | S | S | * | * | 178.8 | 136.4 | 113.1 | -94.9 | 173.9 | -162.5 | -149.5 | 5.8 | 109.7 | |||||
| 545 | G | 32.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 148.5 | 71.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 546 | V | 50.6 | Low | 34.6 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -78.8 | 145.4 | 164.8 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 547 | L | 44.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 87.2 | 48.6 | -179.3 | -49.3 | 179.4 | 0 | 0 | 0 | 118.2 | ||
| 548 | S | 35.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -152.1 | 87.8 | 154.9 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 549 | N | 38.5 | Very low | 34.3 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | -158 | 68.9 | 167.7 | -127.8 | 14.9 | 0 | 0 | 0 | 114.3 | ||||
| 550 | F | 38.3 | Very low | 34.2 | Very low | 213 Ų | 213 | 137.7 Ų | 137.7 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -143.6 | 47.7 | 164.9 | -152.7 | -94.9 | 0 | 0 | 0 | 112.4 | ||
| 551 | A | 44.1 | Very low | 34.3 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -154.9 | 58.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 552 | Q | 35.1 | Very low | 34.4 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -141.2 | 93.1 | 161.2 | -103.4 | 177 | 11.9 | 0 | 0 | 110.3 | S554 | Q552-S554 PolarHBondContact O-N 3.34Š| ||
| 553 | A | 30.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -84 | 99.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q555 | A553-Q555 PolarHBondContact O-N 3.5Š| ||
| 554 | S | 30.8 | Very low | 34.3 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | trans | -67.1 | 121.6 | 175.5 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | Q552 L556 | Q552-S554 PolarHBondContact O-N 3.34Å; S554-L556 PolarHBondContact O-N 3.31Å | ||
| 555 | Q | 34.5 | Very low | 34.3 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -56.7 | 114.6 | 167.3 | -67.3 | -84.6 | -4.2 | 0 | 0 | 109.2 | A553 | A553-Q555 PolarHBondContact O-N 3.5Š| ||
| 556 | L | 30 | Very low | 34.1 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -99.2 | 98.9 | 170.2 | -77.7 | 177 | 0 | 0 | 0 | 110.1 | S554 | S554-L556 PolarHBondContact O-N 3.31Š| ||
| 557 | S | 28.4 | Very low | 33.2 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | trans | -61.8 | 128.1 | 164.9 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | A559 | S557-A559 PolarHBondContact O-N 3.03Š| ||
| 558 | V | 30.1 | Very low | 32.6 | Very low | 145 Ų | 145 | 134 Ų | 134 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -82.9 | 89.9 | 170.8 | -83.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 559 | A | 27.8 | Very low | 32.5 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | trans | -88.2 | 118.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | S557 | S557-A559 PolarHBondContact O-N 3.03Š| ||
| 560 | S | 30.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -66.7 | 133.4 | 167.3 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 561 | S | 29.8 | Very low | 32 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -144.6 | 126.6 | 153 | -75.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 562 | L | 33.5 | Very low | 31.4 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | -90 | 149.8 | -179.4 | -177.1 | 76.9 | 0 | 0 | 0 | 109.3 | ||||
| 563 | M | 34.7 | Very low | 31.3 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | 159.9 | 96.1 | 153.5 | -86.6 | -84.9 | -90.2 | 0 | 0 | 106.5 | ||||
| 564 | G | 26.7 | Very low | 31.6 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | 100.7 | 136.3 | 91.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 565 | M | 32.6 | Very low | 31.6 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | cis | -142.7 | 128.6 | 16.2 | -67.3 | 162.3 | 61.2 | 0 | 0 | 108.6 | ||||
| 566 | S | 29.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 82.6 | 89 | 91.7 | -53.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 567 | S | 31.4 | Very low | 31.7 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -176.8 | 121.1 | 142.5 | -79.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 568 | G | 31.6 | Very low | 32.1 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | cis | 153.3 | 49.5 | 3.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 569 | L | 33.2 | Very low | 32.5 | Very low | 181 Ų | 181 | 131 Ų | 131 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | trans | -131.9 | 129.6 | 171.8 | -72.6 | 178.2 | 0 | 0 | 0 | 110.6 | ||||
| 570 | N | 32.9 | Very low | 32.9 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -113.7 | 113.7 | -170.6 | -173.6 | -25.5 | 0 | 0 | 0 | 108.9 | A572 | N570-A572 PolarHBondContact OD1-N 3.14Š| ||
| 571 | I | 33.1 | Very low | 33 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -129.6 | 86.4 | 165.3 | -60.7 | -176.1 | 0 | 0 | 0 | 108.1 | ||||
| 572 | A | 32.6 | Very low | 33.3 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 104.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | N570 | N570-A572 PolarHBondContact OD1-N 3.14Š| ||
| 573 | Y | 32.8 | Very low | 33.6 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -177.8 | 90.4 | 142.3 | -155.3 | -96.2 | 0 | 0 | 0 | 112.1 | ||||
| 574 | L | 36.6 | Very low | 33.8 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 119.2 | 153.2 | -80.3 | -175.8 | 0 | 0 | 0 | 110.1 | ||||
| 575 | N | 30.4 | Very low | 34.9 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | trans | -78.5 | 126.9 | 179.5 | 177 | -2.5 | 0 | 0 | 0 | 110 | A577 | N575-A577 PolarHBondContact O-N 3.15Å; N575-A577 VanDerWaalsContact OD1-CB 3.26Å; N575-A577 WeakPolarHBondContact OD1-CB 3.33Å; N575-A577 PolarHBondContact OD1-N 3.35Å; N575-A577 VanDerWaalsContact OD1-N 3.1Å | ||
| 576 | P | 35.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -76.8 | 1.4 | -177.5 | 31.2 | -35.8 | 0 | 0 | 0 | 115 | A578 | P576-A578 VanDerWaalsContact C-N 3.3Å; P576-A578 PolarHBondContact O-N 3.24Å |
| 577 | A | 32.8 | Very low | 38.4 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 15.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | N575 | N575-A577 PolarHBondContact O-N 3.15Å; N575-A577 VanDerWaalsContact OD1-CB 3.26Å; N575-A577 WeakPolarHBondContact OD1-CB 3.33Å; N575-A577 PolarHBondContact OD1-N 3.35Å; N575-A577 VanDerWaalsContact OD1-N 3.1Å | ||
| 578 | A | 36.8 | Very low | 40 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -132.2 | 40.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P576 | P576-A578 VanDerWaalsContact C-N 3.3Å; P576-A578 PolarHBondContact O-N 3.24Å | ||
| 579 | V | 38.6 | Very low | 41.9 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 75% | 0.745 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -114.5 | 116 | 162.6 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 580 | G | 36 | Very low | 44 | Very low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | trans | -60.1 | 142.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H582 | G580-H582 PolarHBondContact O-N 2.87Š| ||
| 581 | A | 32.5 | Very low | 45.5 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | trans | -59.3 | 110.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K583 | A581-K583 PolarHBondContact O-N 3.02Š| ||
| 582 | H | 35.6 | Very low | 47.7 | Very low | 179 Ų | 179 | 122 Ų | 122 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | trans | -64.7 | 101.5 | 166.2 | -76 | -85 | 0 | 0 | 0 | 108.7 | G580 | G580-H582 PolarHBondContact O-N 2.87Š| ||
| 583 | K | 39.1 | Very low | 49.7 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.5 | 168.2 | -69.3 | -178.3 | 176.5 | -179.3 | 0 | 108.7 | A581 S585 | A581-K583 PolarHBondContact O-N 3.02Å; K583-S585 PolarHBondContact O-N 3.36Å |
| 584 | T | 40.7 | Very low | 51.9 | Low | 136 Ų | 136 | 122 Ų | 122 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.5 | 171.1 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | S586 | T584-S586 PolarHBondContact O-N 3.25Š|
| 585 | S | 49.5 | Very low | 53.9 | Low | 86 Ų | 86 | 119 Ų | 119 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.6 | -179.3 | -169 | 0 | 0 | 0 | 0 | 110.4 | K583 D589 | K583-S585 PolarHBondContact O-N 3.36Å; S585-D589 WeakPolarHBondContact OG-CB 3.46Å |
| 586 | S | 71.7 | Confident | 55.8 | Low | 52 Ų | 52 | 119.1 Ų | 119.1 | 36% | 0.364 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -79 | 164 | -176.6 | 78.4 | 0 | 0 | 0 | 0 | 111.2 | T584 A588 D589 R590 | T584-S586 PolarHBondContact O-N 3.25Å; S586-A588 PolarHBondContact O-N 3.23Å; S586-A588 PolarHBondContact OG-N 2.97Å; S586-D589 VanDerWaalsContact CB-OD2 3.28Å; S586-D589 WeakPolarHBondContact CB-OD2 3.41Å; S586-D589 PolarHBondContact N-OD2 2.85Å; S586-D589 PolarHBondContact O-N 3.42Å; S586-D589 PolarHBondContact OG-N 3.14Å; S586-D589 PolarHBondContact OG-OD2 3.49Å; S586-R590 PolarHBondContact O-N 2.93Å |
| 587 | L | 62.7 | Low | 57.7 | Low | 139 Ų | 139 | 120.4 Ų | 120.4 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.2 | -33.5 | 175 | -172.7 | 144.7 | 0 | 0 | 0 | 111.7 | Q591 | L587-Q591 WeakPolarHBondContact O-CB 3.44Å; L587-Q591 PolarHBondContact O-N 3.02Å |
| 588 | A | 65.4 | Low | 59.5 | Low | 64 Ų | 64 | 122.1 Ų | 122.1 | 53% | 0.529 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.5 | -34.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S586 Q591 R592 | S586-A588 PolarHBondContact O-N 3.23Å; S586-A588 PolarHBondContact OG-N 2.97Å; A588-Q591 PolarHBondContact O-N 3.27Å; A588-R592 WeakPolarHBondContact O-CB 3.47Å; A588-R592 PolarHBondContact O-N 3.39Å |
| 589 | D | 72.4 | Confident | 61.1 | Low | 77 Ų | 77 | 122.7 Ų | 122.7 | 41% | 0.412 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.8 | -43.9 | 178.1 | -61.1 | -59.8 | 0 | 0 | 0 | 111.2 | S585 S586 Q591 R592 E593 | S585-D589 WeakPolarHBondContact OG-CB 3.46Å; S586-D589 VanDerWaalsContact CB-OD2 3.28Å; S586-D589 WeakPolarHBondContact CB-OD2 3.41Å; S586-D589 PolarHBondContact N-OD2 2.85Å; S586-D589 PolarHBondContact O-N 3.42Å; S586-D589 PolarHBondContact OG-N 3.14Å; S586-D589 PolarHBondContact OG-OD2 3.49Å; D589-Q591 VanDerWaalsContact C-N 3.3Å; D589-Q591 PolarHBondContact O-N 3.31Å; D589-R592 WeakPolarHBondContact O-CB 3.46Å; D589-R592 PolarHBondContact O-N 3.47Å; D589-E593 WeakPolarHBondContact O-CB 3.45Å; D589-E593 PolarHBondContact O-N 2.88Å |
| 590 | R | 77 | Confident | 61.8 | Low | 184 Ų | 184 | 121.8 Ų | 121.8 | 69% | 0.694 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.6 | -36.1 | 172.5 | -77 | -169.6 | 66.2 | 145 | 1.4 | 112.9 | S586 R592 E593 Y594 | S586-R590 PolarHBondContact O-N 2.93Å; R590-R592 VanDerWaalsContact C-N 3.34Å; R590-E593 PolarHBondContact O-N 3.31Å; R590-Y594 WeakPolarHBondContact O-CB 3.08Å; R590-Y594 PolarHBondContact O-N 3.5Å |
| 591 | Q | 63.6 | Low | 62.5 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 55% | 0.547 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.4 | -32.7 | 178.5 | -160.4 | 165.4 | -1.8 | 0 | 0 | 111.4 | L587 A588 D589 L595 | L587-Q591 WeakPolarHBondContact O-CB 3.44Å; L587-Q591 PolarHBondContact O-N 3.02Å; A588-Q591 PolarHBondContact O-N 3.27Å; D589-Q591 VanDerWaalsContact C-N 3.3Å; D589-Q591 PolarHBondContact O-N 3.31Å; Q591-L595 VanDerWaalsContact O-CG 3.31Å; Q591-L595 WeakPolarHBondContact O-CG 3.34Å; Q591-L595 PolarHBondContact O-N 2.97Å; Q591-L595 VanDerWaalsContact O-N 3.12Å |
| 592 | R | 80.3 | Confident | 63.2 | Low | 175 Ų | 175 | 130.8 Ų | 130.8 | 66% | 0.66 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.2 | -41.3 | 170.4 | -168.9 | 179.8 | -172.2 | -179 | 2.9 | 112.3 | A588 D589 R590 L595 L596 | A588-R592 WeakPolarHBondContact O-CB 3.47Å; A588-R592 PolarHBondContact O-N 3.39Å; D589-R592 WeakPolarHBondContact O-CB 3.46Å; D589-R592 PolarHBondContact O-N 3.47Å; R590-R592 VanDerWaalsContact C-N 3.34Å; R592-L595 PolarHBondContact O-N 3.4Å; R592-L596 HydrophobicContact CG-CD1 4.45Å; R592-L596 WeakPolarHBondContact O-CG 3.44Å; R592-L596 PolarHBondContact O-N 3.01Å |
| 593 | E | 73.9 | Confident | 63.7 | Low | 132 Ų | 132 | 127.6 Ų | 127.6 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.5 | -46.5 | 175.6 | -168.2 | 170.5 | -139 | 0 | 0 | 111.1 | D589 R590 L595 L596 D597 | D589-E593 WeakPolarHBondContact O-CB 3.45Å; D589-E593 PolarHBondContact O-N 2.88Å; R590-E593 PolarHBondContact O-N 3.31Å; E593-L595 VanDerWaalsContact C-N 3.35Å; E593-L595 PolarHBondContact O-N 3.46Å; E593-L596 PolarHBondContact O-N 3.4Å; E593-L596 VanDerWaalsContact O-N 3.13Å; E593-D597 PolarHBondContact O-N 3.38Å |
| 594 | Y | 78.4 | Confident | 63.9 | Low | 156 Ų | 156 | 126 Ų | 126 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.2 | -39.5 | 173.9 | -176.4 | -97.8 | 0 | 0 | 0 | 113.3 | R590 L596 D597 M598 | R590-Y594 WeakPolarHBondContact O-CB 3.08Å; R590-Y594 PolarHBondContact O-N 3.5Å; Y594-L596 VanDerWaalsContact C-N 3.31Å; Y594-L596 PolarHBondContact O-N 3.17Å; Y594-D597 PolarHBondContact O-N 3.05Å; Y594-M598 HydrophobicContact CD1-CG 4.45Å; Y594-M598 HydrophobicContact CE1-CG 4.12Å; Y594-M598 WeakPolarHBondContact O-CG 3.48Å; Y594-M598 PolarHBondContact O-N 3.07Å |
| 595 | L | 79.6 | Confident | 63.9 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 58% | 0.581 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -27.6 | 176 | -76.2 | 170.8 | 0 | 0 | 0 | 113.3 | Q591 R592 E593 | Q591-L595 VanDerWaalsContact O-CG 3.31Å; Q591-L595 WeakPolarHBondContact O-CG 3.34Å; Q591-L595 PolarHBondContact O-N 2.97Å; Q591-L595 VanDerWaalsContact O-N 3.12Å; R592-L595 PolarHBondContact O-N 3.4Å; E593-L595 VanDerWaalsContact C-N 3.35Å; E593-L595 PolarHBondContact O-N 3.46Å |
| 596 | L | 70.3 | Confident | 63.3 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 58% | 0.581 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.3 | -38.6 | 175.2 | -70.5 | 167.1 | 0 | 0 | 0 | 111.7 | R592 E593 Y594 M598 I599 | R592-L596 HydrophobicContact CG-CD1 4.45Å; R592-L596 WeakPolarHBondContact O-CG 3.44Å; R592-L596 PolarHBondContact O-N 3.01Å; E593-L596 PolarHBondContact O-N 3.4Å; E593-L596 VanDerWaalsContact O-N 3.13Å; Y594-L596 VanDerWaalsContact C-N 3.31Å; Y594-L596 PolarHBondContact O-N 3.17Å; L596-M598 PolarHBondContact O-N 3.16Å; L596-I599 HydrophobicContact CD2-CD1 4.36Å; L596-I599 PolarHBondContact O-N 3.31Å; L596-I599 VanDerWaalsContact O-N 3.16Å |
| 597 | D | 75.6 | Confident | 61.8 | Low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68.3 | -23.5 | 178.1 | -144.5 | 38 | 0 | 0 | 0 | 112.4 | E593 Y594 I599 | E593-D597 PolarHBondContact O-N 3.38Å; Y594-D597 PolarHBondContact O-N 3.05Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 3.48Å |
| 598 | M | 70.4 | Confident | 60.7 | Low | 122 Ų | 122 | 134.4 Ų | 134.4 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -1.7 | 173.4 | -73.5 | -63.4 | -55.3 | 0 | 0 | 114.6 | Y594 L596 P600 | Y594-M598 HydrophobicContact CD1-CG 4.45Å; Y594-M598 HydrophobicContact CE1-CG 4.12Å; Y594-M598 WeakPolarHBondContact O-CG 3.48Å; Y594-M598 PolarHBondContact O-N 3.07Å; L596-M598 PolarHBondContact O-N 3.16Å; M598-P600 VanDerWaalsContact O-CD 3.26Å; M598-P600 WeakPolarHBondContact O-CD 3.45Å |
| 599 | I | 69.3 | Low | 59.5 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 55% | 0.549 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -91.7 | 106.4 | 175.1 | -59.7 | 172.4 | 0 | 0 | 0 | 108.7 | L596 D597 | L596-I599 HydrophobicContact CD2-CD1 4.36Å; L596-I599 PolarHBondContact O-N 3.31Å; L596-I599 VanDerWaalsContact O-N 3.16Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 3.48Å |
| 600 | P | 53.7 | Low | 58.2 | Low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | trans | -61 | 138.9 | 175.3 | 25.3 | -33.6 | 0 | 0 | 0 | 110 | M598 R602 | M598-P600 VanDerWaalsContact O-CD 3.26Å; M598-P600 WeakPolarHBondContact O-CD 3.45Å; P600-R602 PolarHBondContact O-N 2.92Å | ||
| 601 | P | 51.5 | Low | 56.3 | Low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | trans | -63.1 | 107.4 | -172.9 | 24.3 | -33.8 | 0 | 0 | 0 | 110.6 | S603 | P601-S603 PolarHBondContact O-N 3.24Å; P601-S603 VanDerWaalsContact O-N 3.1Å | ||
| 602 | R | 47.1 | Very low | 55.1 | Low | 222 Ų | 222 | 145.1 Ų | 145.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -58.9 | 114.1 | 171.1 | -74.7 | -82.8 | -152.1 | 143.5 | 8.5 | 108.3 | P600 I604 | P600-R602 PolarHBondContact O-N 2.92Å; R602-I604 PolarHBondContact O-N 3.25Å | ||
| 603 | S | 44.9 | Very low | 53.8 | Low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 99.9 | 168.6 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | P601 S605 | P601-S603 PolarHBondContact O-N 3.24Å; P601-S603 VanDerWaalsContact O-N 3.1Å; S603-S605 PolarHBondContact O-N 3.48Å; S603-S605 VanDerWaalsContact O-N 3.07Å | ||
| 604 | I | 44.5 | Very low | 52.8 | Low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 102.8 | 176.6 | -64.4 | 176.8 | 0 | 0 | 0 | 108.3 | R602 | R602-I604 PolarHBondContact O-N 3.25Š| ||
| 605 | S | 40.9 | Very low | 51.3 | Low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -141.2 | 81.7 | 167.1 | -70.6 | 0 | 0 | 0 | 0 | 108.1 | S603 | S603-S605 PolarHBondContact O-N 3.48Å; S603-S605 VanDerWaalsContact O-N 3.07Å | ||
| 606 | Q | 36.9 | Very low | 49.7 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -137 | 118.6 | 163.8 | -72.5 | -163.9 | -2.6 | 0 | 0 | 110 | ||||
| 607 | S | 40.2 | Very low | 48.4 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -72 | 125.5 | 167.2 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 608 | I | 38.7 | Very low | 46.6 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -88.4 | 110.1 | 171.1 | -162.5 | 166.9 | 0 | 0 | 0 | 109.5 | ||||
| 609 | S | 41.4 | Very low | 44.9 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -89.1 | 108.5 | 166.1 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | Q611 | S609-Q611 PolarHBondContact O-N 3.33Š| ||
| 610 | G | 43.2 | Very low | 43 | Very low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | trans | -75.3 | 120.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 611 | Q | 38.1 | Very low | 42.1 | Very low | 198 Ų | 198 | 156.5 Ų | 156.5 | 93% | 0.925 | 86% | 0.863 | S | S | * | * | trans | -74 | 125.1 | 157 | -79.6 | -179.3 | -29.1 | 0 | 0 | 109.1 | S609 | S609-Q611 PolarHBondContact O-N 3.33Š| ||
| 612 | K | 37.8 | Very low | 41.2 | Very low | 280 Ų | 280 | 159.1 Ų | 159.1 | 100% | 1.217 | 87% | 0.866 | S | S | * | * | trans | -157.5 | 0 | 139.3 | -140 | 179.4 | -176.8 | -176.6 | 0 | 110.7 |
Retrieved 612 of 612 residues in 351.8 ms
(Link to these results)