| 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 | 43.1 | Very low | 52.1 | Low | 166 Ų | 166 | 132.7 Ų | 132.7 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | 0 | 149.4 | 0 | -63.9 | -162.4 | 72.4 | 0 | 0 | 108.1 | E5 | M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 VanDerWaalsContact CB-OE2 3.25Å; M1-E5 WeakPolarHBondContact CB-OE2 3.31Å; M1-E5 HydrophobicContact CE-CB 3.59Å; M1-E5 HydrophobicContact CE-CG 4.34Å | |||
| 2 | T | 55.8 | Low | 51.5 | Low | 80 Ų | 80 | 129 Ų | 129 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | trans | -96 | 156.5 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 111 | R4 E5 | T2-R4 PolarHBondContact O-N 2.98Å; T2-E5 PolarHBondContact N-OE2 2.77Å; T2-E5 WeakPolarHBondContact O-CB 3.22Å; T2-E5 PolarHBondContact O-N 2.89Å | ||
| 3 | P | 56.3 | Low | 51 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 69% | 0.688 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -54.9 | -30.2 | -179.6 | -28.3 | 36 | 0 | 0 | 0 | 114.2 | E5 Q6 L7 | P3-E5 PolarHBondContact O-N 3.1Å; P3-Q6 PolarHBondContact O-N 2.84Å; P3-L7 PolarHBondContact O-N 3.2Å |
| 4 | R | 54.5 | Low | 50.5 | Low | 208 Ų | 208 | 127.3 Ų | 127.3 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.2 | -12.1 | 177.8 | -164.9 | 171.7 | -176.9 | 167.4 | 1.6 | 114.3 | T2 R8 | T2-R4 PolarHBondContact O-N 2.98Å; R4-R8 PolarHBondContact O-NE 2.89Å |
| 5 | E | 54.4 | Low | 50.2 | Low | 64 Ų | 64 | 130.1 Ų | 130.1 | 30% | 0.299 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -93.4 | -29.3 | 174.1 | -59.7 | 171.9 | 140 | 0 | 0 | 111.7 | M1 T2 P3 R8 K9 | M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 VanDerWaalsContact CB-OE2 3.25Å; M1-E5 WeakPolarHBondContact CB-OE2 3.31Å; M1-E5 HydrophobicContact CE-CB 3.59Å; M1-E5 HydrophobicContact CE-CG 4.34Å; T2-E5 PolarHBondContact N-OE2 2.77Å; T2-E5 WeakPolarHBondContact O-CB 3.22Å; T2-E5 PolarHBondContact O-N 2.89Å; P3-E5 PolarHBondContact O-N 3.1Å; E5-R8 PolarHBondContact O-N 2.88Å; E5-K9 PolarHBondContact O-N 3.39Å; E5-K9 VanDerWaalsContact O-N 3.09Å |
| 6 | Q | 55.4 | Low | 50.1 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.3 | -43.3 | 177.9 | -166.4 | 161.9 | -26.7 | 0 | 0 | 111.3 | P3 R8 K9 M10 | P3-Q6 PolarHBondContact O-N 2.84Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-R8 PolarHBondContact O-N 2.87Å; Q6-K9 PolarHBondContact O-N 2.85Å; Q6-M10 PolarHBondContact O-N 3.39Å; Q6-M10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 53 | Low | 49.6 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 63% | 0.634 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -56.7 | -45.6 | 171.1 | -92.8 | 81.3 | 0 | 0 | 0 | 112.2 | P3 K9 M10 T11 | P3-L7 PolarHBondContact O-N 3.2Å; L7-K9 VanDerWaalsContact C-N 3.33Å; L7-K9 PolarHBondContact O-N 3.46Å; L7-M10 WeakPolarHBondContact O-CA 3.42Å; L7-M10 WeakPolarHBondContact O-CB 3.34Å; L7-M10 PolarHBondContact O-N 3.45Å; L7-T11 PolarHBondContact O-N 2.99Å; L7-T11 PolarHBondContact O-OG1 3.29Å |
| 8 | R | 55 | Low | 49.4 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.3 | -33.2 | -179.2 | -81.3 | -172.3 | -70.9 | 163.3 | 0.8 | 113.2 | R4 E5 Q6 | R4-R8 PolarHBondContact O-NE 2.89Å; E5-R8 PolarHBondContact O-N 2.88Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-R8 PolarHBondContact O-N 2.87Å |
| 9 | K | 50.5 | Low | 49.3 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.5 | -38.2 | 170.4 | -79.3 | -176.9 | 170.1 | 179.3 | 0 | 111.8 | E5 Q6 L7 T11 A12 | E5-K9 PolarHBondContact O-N 3.39Å; E5-K9 VanDerWaalsContact O-N 3.09Å; Q6-K9 PolarHBondContact O-N 2.85Å; L7-K9 VanDerWaalsContact C-N 3.33Å; L7-K9 PolarHBondContact O-N 3.46Å; K9-T11 PolarHBondContact O-N 3.19Å; K9-A12 PolarHBondContact O-N 3.04Å |
| 10 | M | 44.7 | Very low | 49.2 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.7 | -33.6 | 177.6 | -132.8 | 170 | 75.4 | 0 | 0 | 112.8 | Q6 L7 A12 | Q6-M10 PolarHBondContact O-N 3.39Å; Q6-M10 VanDerWaalsContact O-N 3.09Å; L7-M10 WeakPolarHBondContact O-CA 3.42Å; L7-M10 WeakPolarHBondContact O-CB 3.34Å; L7-M10 PolarHBondContact O-N 3.45Å; M10-A12 PolarHBondContact O-N 2.74Å |
| 11 | T | 50.3 | Low | 49 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66 | -22.1 | 175.9 | -39.7 | 0 | 0 | 0 | 0 | 113.5 | L7 K9 L13 | L7-T11 PolarHBondContact O-N 2.99Å; L7-T11 PolarHBondContact O-OG1 3.29Å; K9-T11 PolarHBondContact O-N 3.19Å; T11-L13 VanDerWaalsContact C-N 3.35Å |
| 12 | A | 44.5 | Very low | 49 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 2.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | K9 M10 | K9-A12 PolarHBondContact O-N 3.04Å; M10-A12 PolarHBondContact O-N 2.74Å |
| 13 | L | 45.8 | Very low | 48.6 | Very low | 156 Ų | 156 | 123.3 Ų | 123.3 | 82% | 0.817 | 64% | 0.643 | S | S | * | * | trans | -130.8 | 37.2 | -167.3 | -126.6 | 160.5 | 0 | 0 | 0 | 112.7 | T11 | T11-L13 VanDerWaalsContact C-N 3.35Š| ||
| 14 | G | 43.3 | Very low | 48.1 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -112.9 | 82.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 15 | E | 46.6 | Very low | 47.7 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | trans | -106.9 | 143.7 | 171.2 | -144.8 | -169.3 | 126.3 | 0 | 0 | 111.4 | ||||
| 16 | Q | 48.9 | Very low | 47.7 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | trans | 59.4 | 56.5 | 174.6 | -51.5 | -160.2 | 21.5 | 0 | 0 | 118.2 | ||||
| 17 | G | 41.3 | Very low | 47.6 | Very low | 39 Ų | 39 | 127.9 Ų | 127.9 | 40% | 0.402 | 65% | 0.646 | S | S | . | * | trans | -88.9 | 143.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K22 | G17-K22 PolarHBondContact O-NZ 3.27Š| ||
| 18 | T | 45.4 | Very low | 47.5 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | trans | -68.7 | 166.1 | -173.3 | 57 | 0 | 0 | 0 | 0 | 113 | D20 | T18-D20 VanDerWaalsContact C-N 3.25Å; T18-D20 PolarHBondContact O-N 3.15Å | ||
| 19 | L | 48 | Very low | 47.4 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -17.2 | -167.9 | -152.6 | 100.3 | 0 | 0 | 0 | 114.3 | H23 | L19-H23 PolarHBondContact O-CE1 3.24Å; L19-H23 PolarHBondContact O-ND1 3.2Å; L19-H23 VanDerWaalsContact O-ND1 3.09Å |
| 20 | D | 47 | Very low | 47.5 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 54% | 0.54 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -44.7 | -174.9 | -163.6 | 62.6 | 0 | 0 | 0 | 113.2 | T18 K22 H23 W24 | T18-D20 VanDerWaalsContact C-N 3.25Å; T18-D20 PolarHBondContact O-N 3.15Å; D20-K22 PolarHBondContact O-N 2.76Å; D20-H23 WeakPolarHBondContact O-CB 3.2Å; D20-H23 PolarHBondContact O-N 3.01Å; D20-W24 PolarHBondContact OD2-NE1 3.19Å; D20-W24 VanDerWaalsContact OD2-NE1 3.16Å |
| 21 | E | 44.6 | Very low | 48.4 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 45% | 0.449 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -51.9 | -36.2 | 175.4 | -81.8 | -167.5 | 103.6 | 0 | 0 | 112.4 | H23 W24 Y25 | E21-H23 PolarHBondContact O-N 2.96Å; E21-W24 PolarHBondContact O-N 3.27Å; E21-W24 VanDerWaalsContact O-N 3.12Å; E21-Y25 HydrophobicContact CB-CD2 4.31Å; E21-Y25 HydrophobicContact CB-CE2 4.27Å; E21-Y25 VanDerWaalsContact O-CD2 3.26Å; E21-Y25 WeakPolarHBondContact O-CD2 3.17Å; E21-Y25 PolarHBondContact O-N 3Å |
| 22 | K | 43.9 | Very low | 49.2 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 54% | 0.543 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62 | -23.4 | -179.9 | -64.4 | 177.4 | -176.1 | 172 | 0 | 112.8 | G17 D20 R26 | G17-K22 PolarHBondContact O-NZ 3.27Å; D20-K22 PolarHBondContact O-N 2.76Å; K22-R26 WeakPolarHBondContact O-CB 3.22Å; K22-R26 PolarHBondContact O-N 2.77Å |
| 23 | H | 46.8 | Very low | 50.2 | Low | 110 Ų | 110 | 114.6 Ų | 114.6 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.6 | -42.8 | 173.2 | -66.2 | 99 | 0 | 0 | 0 | 111.9 | L19 D20 E21 R26 L27 | L19-H23 PolarHBondContact O-CE1 3.24Å; L19-H23 PolarHBondContact O-ND1 3.2Å; L19-H23 VanDerWaalsContact O-ND1 3.09Å; D20-H23 WeakPolarHBondContact O-CB 3.2Å; D20-H23 PolarHBondContact O-N 3.01Å; E21-H23 PolarHBondContact O-N 2.96Å; H23-R26 PolarHBondContact O-N 3.01Å; H23-L27 WeakPolarHBondContact O-CB 3.25Å; H23-L27 PolarHBondContact O-N 3.32Å |
| 24 | W | 45.8 | Very low | 51.3 | Low | 165 Ų | 165 | 109.4 Ų | 109.4 | 63% | 0.625 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.7 | -49.8 | 177.1 | -67.2 | 101.5 | 0 | 0 | 0 | 112.4 | D20 E21 R26 L27 V28 | D20-W24 PolarHBondContact OD2-NE1 3.19Å; D20-W24 VanDerWaalsContact OD2-NE1 3.16Å; E21-W24 PolarHBondContact O-N 3.27Å; E21-W24 VanDerWaalsContact O-N 3.12Å; W24-R26 VanDerWaalsContact C-N 3.29Å; W24-R26 PolarHBondContact O-N 2.95Å; W24-L27 PolarHBondContact O-N 3.37Å; W24-V28 PolarHBondContact O-N 3.11Å |
| 25 | Y | 46.7 | Very low | 52.8 | Low | 153 Ų | 153 | 110.1 Ų | 110.1 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.4 | -32.2 | 176.7 | -72.4 | -69.4 | 0 | 0 | 0 | 112.9 | E21 N29 | E21-Y25 HydrophobicContact CB-CD2 4.31Å; E21-Y25 HydrophobicContact CB-CE2 4.27Å; E21-Y25 VanDerWaalsContact O-CD2 3.26Å; E21-Y25 WeakPolarHBondContact O-CD2 3.17Å; E21-Y25 PolarHBondContact O-N 3Å; Y25-N29 WeakPolarHBondContact O-CB 3.44Å; Y25-N29 PolarHBondContact O-N 2.7Å |
| 26 | R | 53.5 | Low | 54.1 | Low | 197 Ų | 197 | 107 Ų | 107 | 74% | 0.743 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.8 | -34 | 176.3 | -164.6 | 176.1 | -155.2 | 166.9 | 6.6 | 112.7 | K22 H23 W24 V28 G30 | K22-R26 WeakPolarHBondContact O-CB 3.22Å; K22-R26 PolarHBondContact O-N 2.77Å; H23-R26 PolarHBondContact O-N 3.01Å; W24-R26 VanDerWaalsContact C-N 3.29Å; W24-R26 PolarHBondContact O-N 2.95Å; R26-V28 VanDerWaalsContact C-N 3.35Å; R26-G30 PolarHBondContact O-N 3.14Å |
| 27 | L | 54.2 | Low | 55.3 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.4 | -34.6 | 176.8 | -163.9 | 72.1 | 0 | 0 | 0 | 111.9 | H23 W24 | H23-L27 WeakPolarHBondContact O-CB 3.25Å; H23-L27 PolarHBondContact O-N 3.32Å; W24-L27 PolarHBondContact O-N 3.37Å |
| 28 | V | 49.8 | Very low | 57 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -79.1 | -45.7 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | W24 R26 G30 M31 | W24-V28 PolarHBondContact O-N 3.11Å; R26-V28 VanDerWaalsContact C-N 3.35Å; V28-G30 PolarHBondContact O-N 3.3Å; V28-M31 PolarHBondContact O-N 3.46Å |
| 29 | N | 54.6 | Low | 58.3 | Low | 143 Ų | 143 | 113 Ų | 113 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.6 | -11 | 179.2 | -76.1 | 8.5 | 0 | 0 | 0 | 114.1 | Y25 | Y25-N29 WeakPolarHBondContact O-CB 3.44Å; Y25-N29 PolarHBondContact O-N 2.7Å |
| 30 | G | 52.8 | Low | 59.4 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -14.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | R26 V28 | R26-G30 PolarHBondContact O-N 3.14Å; V28-G30 PolarHBondContact O-N 3.3Å |
| 31 | M | 62.2 | Low | 60.6 | Low | 50 Ų | 50 | 111.4 Ų | 111.4 | 25% | 0.246 | 55% | 0.552 | C | S | . | * | trans | -79 | 132.2 | -176.9 | -69.5 | -177.8 | 63 | 0 | 0 | 111.8 | V28 E35 L36 R39 | V28-M31 PolarHBondContact O-N 3.46Å; M31-E35 HydrophobicContact CE-CB 3.83Å; M31-E35 WeakPolarHBondContact CE-O 3.48Å; M31-L36 HydrophobicContact CE-CB 4.46Å; M31-R39 HydrophobicContact CE-CB 4.23Å | ||
| 32 | S | 67.9 | Low | 61.8 | Low | 62 Ų | 62 | 111.5 Ų | 111.5 | 43% | 0.434 | 56% | 0.555 | S | S | . | * | trans | -67.3 | 157.7 | 168.9 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | G34 E35 L36 | S32-G34 PolarHBondContact O-N 2.85Å; S32-G34 VanDerWaalsContact O-N 3.1Å; S32-E35 WeakPolarHBondContact CB-OE2 3.38Å; S32-E35 PolarHBondContact N-OE2 2.78Å; S32-E35 PolarHBondContact O-N 2.91Å; S32-E35 VanDerWaalsContact O-N 3.12Å; S32-E35 WeakPolarHBondContact OG-CG 3.43Å; S32-E35 PolarHBondContact OG-N 3.11Å; S32-E35 PolarHBondContact OG-OE2 2.93Å; S32-L36 PolarHBondContact O-N 2.73Å | ||
| 33 | A | 64.5 | Low | 63 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 69% | 0.694 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.7 | -22.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R37 | A33-R37 PolarHBondContact O-N 3.39Å |
| 34 | G | 69.2 | Low | 63.7 | Low | 47 Ų | 47 | 110.9 Ų | 110.9 | 49% | 0.485 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.3 | -48.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S32 L36 R37 Q38 | S32-G34 PolarHBondContact O-N 2.85Å; S32-G34 VanDerWaalsContact O-N 3.1Å; G34-L36 VanDerWaalsContact C-N 3.33Å; G34-L36 PolarHBondContact O-N 3.47Å; G34-R37 WeakPolarHBondContact O-CB 3.39Å; G34-R37 PolarHBondContact O-N 2.67Å; G34-Q38 WeakPolarHBondContact O-CB 3.23Å; G34-Q38 PolarHBondContact O-N 3.33Å |
| 35 | E | 74.1 | Confident | 64.4 | Low | 93 Ų | 93 | 110.8 Ų | 110.8 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65 | -36.4 | 179.1 | -67.4 | 159.5 | 109.5 | 0 | 0 | 112 | M31 S32 Q38 R39 | M31-E35 HydrophobicContact CE-CB 3.83Å; M31-E35 WeakPolarHBondContact CE-O 3.48Å; S32-E35 WeakPolarHBondContact CB-OE2 3.38Å; S32-E35 PolarHBondContact N-OE2 2.78Å; S32-E35 PolarHBondContact O-N 2.91Å; S32-E35 VanDerWaalsContact O-N 3.12Å; S32-E35 WeakPolarHBondContact OG-CG 3.43Å; S32-E35 PolarHBondContact OG-N 3.11Å; S32-E35 PolarHBondContact OG-OE2 2.93Å; E35-Q38 PolarHBondContact O-N 3.24Å; E35-R39 VanDerWaalsContact O-CB 3.3Å; E35-R39 WeakPolarHBondContact O-CB 3.44Å; E35-R39 PolarHBondContact O-N 3.21Å |
| 36 | L | 75.2 | Confident | 64.7 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 173.8 | -174 | 64.3 | 0 | 0 | 0 | 111.2 | M31 S32 G34 R39 Q40 | M31-L36 HydrophobicContact CE-CB 4.46Å; S32-L36 PolarHBondContact O-N 2.73Å; G34-L36 VanDerWaalsContact C-N 3.33Å; G34-L36 PolarHBondContact O-N 3.47Å; L36-R39 PolarHBondContact O-N 3.41Å; L36-Q40 WeakPolarHBondContact O-CB 3.44Å; L36-Q40 PolarHBondContact O-N 3.45Å |
| 37 | R | 73.5 | Confident | 64.5 | Low | 175 Ų | 175 | 104.6 Ų | 104.6 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 174.8 | -125.6 | -179.5 | -177.4 | 85.7 | -0.4 | 111.9 | A33 G34 R39 Q40 E41 | A33-R37 PolarHBondContact O-N 3.39Å; G34-R37 WeakPolarHBondContact O-CB 3.39Å; G34-R37 PolarHBondContact O-N 2.67Å; R37-R39 VanDerWaalsContact C-N 3.32Å; R37-R39 PolarHBondContact O-N 3.28Å; R37-Q40 PolarHBondContact O-N 2.88Å; R37-E41 PolarHBondContact O-N 3.44Å |
| 38 | Q | 77.1 | Confident | 64.2 | Low | 128 Ų | 128 | 108.3 Ų | 108.3 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -40.7 | 177.5 | -171.8 | -178.3 | 11 | 0 | 0 | 111.4 | G34 E35 E41 L42 | G34-Q38 WeakPolarHBondContact O-CB 3.23Å; G34-Q38 PolarHBondContact O-N 3.33Å; E35-Q38 PolarHBondContact O-N 3.24Å; Q38-E41 PolarHBondContact O-N 3.09Å; Q38-L42 WeakPolarHBondContact O-CB 3.33Å; Q38-L42 PolarHBondContact O-N 3.41Å |
| 39 | R | 72.8 | Confident | 64.2 | Low | 139 Ų | 139 | 106.9 Ų | 106.9 | 53% | 0.525 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69 | -39.3 | 176.8 | -162.9 | 171.2 | -167.8 | 161.1 | 4.6 | 111.9 | M31 E35 L36 R37 L42 I43 | M31-R39 HydrophobicContact CE-CB 4.23Å; E35-R39 VanDerWaalsContact O-CB 3.3Å; E35-R39 WeakPolarHBondContact O-CB 3.44Å; E35-R39 PolarHBondContact O-N 3.21Å; L36-R39 PolarHBondContact O-N 3.41Å; R37-R39 VanDerWaalsContact C-N 3.32Å; R37-R39 PolarHBondContact O-N 3.28Å; R39-L42 PolarHBondContact O-N 3.2Å; R39-I43 HydrophobicContact CG-CD1 4.36Å; R39-I43 VanDerWaalsContact O-CG1 3.29Å; R39-I43 WeakPolarHBondContact O-CG1 3.42Å; R39-I43 PolarHBondContact O-N 3.47Å |
| 40 | Q | 71.9 | Confident | 63.8 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -44.8 | 172.4 | -170.4 | 174.4 | 26.7 | 0 | 0 | 111.4 | L36 R37 L42 I43 M44 | L36-Q40 WeakPolarHBondContact O-CB 3.44Å; L36-Q40 PolarHBondContact O-N 3.45Å; R37-Q40 PolarHBondContact O-N 2.88Å; Q40-L42 PolarHBondContact O-N 3.02Å; Q40-I43 PolarHBondContact O-N 3.4Å; Q40-M44 WeakPolarHBondContact O-CG 3.4Å; Q40-M44 PolarHBondContact O-N 2.8Å |
| 41 | E | 71.7 | Confident | 62.8 | Low | 84 Ų | 84 | 108 Ų | 108 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.6 | -39.8 | 172.1 | -85.8 | -165 | -147.7 | 0 | 0 | 112.9 | R37 Q38 I43 M44 R45 | R37-E41 PolarHBondContact O-N 3.44Å; Q38-E41 PolarHBondContact O-N 3.09Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3Å; E41-M44 PolarHBondContact O-N 3.25Å; E41-R45 WeakPolarHBondContact O-CG 3.5Å; E41-R45 PolarHBondContact O-N 3.31Å; E41-R45 IonicContact OE2-CZ 3.12Å; E41-R45 IonicContact OE2-NH1 2.78Å; E41-R45 PolarHBondContact OE2-NH1 3.37Å; E41-R45 IonicContact OE2-NH2 3.27Å; E41-R45 PolarHBondContact OE2-NH2 3.43Å |
| 42 | L | 69.3 | Low | 61.8 | Low | 98 Ų | 98 | 111.2 Ų | 111.2 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -39.5 | 177.4 | -131.6 | 87.1 | 0 | 0 | 0 | 111.9 | Q38 R39 Q40 N46 | Q38-L42 WeakPolarHBondContact O-CB 3.33Å; Q38-L42 PolarHBondContact O-N 3.41Å; R39-L42 PolarHBondContact O-N 3.2Å; Q40-L42 PolarHBondContact O-N 3.02Å; L42-N46 WeakPolarHBondContact O-CB 3.4Å; L42-N46 PolarHBondContact O-N 3.41Å; L42-N46 PolarHBondContact O-ND2 3.22Å; L42-N46 VanDerWaalsContact O-ND2 3.15Å |
| 43 | I | 68.5 | Low | 60.1 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 53% | 0.533 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69 | -45.1 | 176.3 | -69.2 | 164.1 | 0 | 0 | 0 | 110.1 | R39 Q40 E41 R45 N46 Q47 | R39-I43 HydrophobicContact CG-CD1 4.36Å; R39-I43 VanDerWaalsContact O-CG1 3.29Å; R39-I43 WeakPolarHBondContact O-CG1 3.42Å; R39-I43 PolarHBondContact O-N 3.47Å; Q40-I43 PolarHBondContact O-N 3.4Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 3Å; I43-N46 PolarHBondContact O-N 3.42Å; I43-N46 VanDerWaalsContact O-N 3.17Å; I43-Q47 PolarHBondContact O-N 2.99Å; I43-Q47 VanDerWaalsContact O-N 3.13Å |
| 44 | M | 62 | Low | 59 | Low | 118 Ų | 118 | 120 Ų | 120 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.4 | -36.2 | 176.8 | -68.6 | -152.4 | -54.2 | 0 | 0 | 112.7 | Q40 E41 | Q40-M44 WeakPolarHBondContact O-CG 3.4Å; Q40-M44 PolarHBondContact O-N 2.8Å; E41-M44 PolarHBondContact O-N 3.25Å |
| 45 | R | 61.6 | Low | 57.6 | Low | 163 Ų | 163 | 124.4 Ų | 124.4 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.3 | -35.4 | 172.1 | -69 | -173.3 | -175.2 | 98.8 | 7 | 112.7 | E41 I43 Q47 M48 | E41-R45 WeakPolarHBondContact O-CG 3.5Å; E41-R45 PolarHBondContact O-N 3.31Å; E41-R45 IonicContact OE2-CZ 3.12Å; E41-R45 IonicContact OE2-NH1 2.78Å; E41-R45 PolarHBondContact OE2-NH1 3.37Å; E41-R45 IonicContact OE2-NH2 3.27Å; E41-R45 PolarHBondContact OE2-NH2 3.43Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 3Å; R45-Q47 VanDerWaalsContact C-N 3.3Å; R45-Q47 PolarHBondContact O-N 3.44Å; R45-M48 PolarHBondContact O-N 2.91Å |
| 46 | N | 53.1 | Low | 55.6 | Low | 70 Ų | 70 | 123.7 Ų | 123.7 | 37% | 0.374 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.3 | -18.4 | 177.3 | -99 | -77.2 | 0 | 0 | 0 | 114.8 | L42 I43 M48 A49 M50 | L42-N46 WeakPolarHBondContact O-CB 3.4Å; L42-N46 PolarHBondContact O-N 3.41Å; L42-N46 PolarHBondContact O-ND2 3.22Å; L42-N46 VanDerWaalsContact O-ND2 3.15Å; I43-N46 PolarHBondContact O-N 3.42Å; I43-N46 VanDerWaalsContact O-N 3.17Å; N46-M48 PolarHBondContact O-N 3.07Å; N46-M48 VanDerWaalsContact O-N 3.11Å; N46-A49 PolarHBondContact O-N 3.29Å; N46-M50 PolarHBondContact O-N 2.81Å |
| 47 | Q | 48.7 | Very low | 53.7 | Low | 150 Ų | 150 | 128.4 Ų | 128.4 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -13.6 | 174 | -76 | -174.8 | 105.8 | 0 | 0 | 113.8 | I43 R45 | I43-Q47 PolarHBondContact O-N 2.99Å; I43-Q47 VanDerWaalsContact O-N 3.13Å; R45-Q47 VanDerWaalsContact C-N 3.3Å; R45-Q47 PolarHBondContact O-N 3.44Å |
| 48 | M | 47.9 | Very low | 51.7 | Low | 184 Ų | 184 | 123.4 Ų | 123.4 | 91% | 0.906 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -4.5 | 169.4 | -67.7 | -176.9 | 172.8 | 0 | 0 | 114 | R45 N46 | R45-M48 PolarHBondContact O-N 2.91Å; N46-M48 PolarHBondContact O-N 3.07Å; N46-M48 VanDerWaalsContact O-N 3.11Å |
| 49 | A | 50 | Low | 49.8 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -25.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | N46 A51 | N46-A49 PolarHBondContact O-N 3.29Å; A49-A51 PolarHBondContact O-N 3.41Å |
| 50 | M | 45.9 | Very low | 48 | Very low | 154 Ų | 154 | 128 Ų | 128 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -82.4 | 57.7 | 177.8 | -73 | -65.2 | -166.4 | 0 | 0 | 113.2 | N46 | N46-M50 PolarHBondContact O-N 2.81Š| ||
| 51 | A | 32.6 | Very low | 45.9 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | trans | -74.1 | 122.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108 | A49 Q53 | A49-A51 PolarHBondContact O-N 3.41Å; A51-Q53 PolarHBondContact O-N 2.96Å | ||
| 52 | P | 39.3 | Very low | 44.2 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -69 | 98.5 | 179.2 | 27.5 | -33.4 | 0 | 0 | 0 | 109.8 | I54 | P52-I54 VanDerWaalsContact C-N 3.35Å; P52-I54 PolarHBondContact O-N 3.36Å | ||
| 53 | Q | 32.8 | Very low | 42.3 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -69.5 | 92.5 | 172.7 | -68.6 | -170.1 | 7.1 | 0 | 0 | 109.5 | A51 L55 | A51-Q53 PolarHBondContact O-N 2.96Å; Q53-L55 PolarHBondContact O-N 3.45Å | ||
| 54 | I | 42.2 | Very low | 40.4 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | -69.2 | 82.1 | 163.5 | -57.8 | 175.9 | 0 | 0 | 0 | 107.2 | P52 A56 | P52-I54 VanDerWaalsContact C-N 3.35Å; P52-I54 PolarHBondContact O-N 3.36Å; I54-A56 VanDerWaalsContact C-N 3.34Å; I54-A56 PolarHBondContact O-N 3.15Å; I54-A56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | L | 38.8 | Very low | 39.1 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -82 | 85.4 | 175.6 | -159.7 | 155.9 | 0 | 0 | 0 | 108.5 | Q53 | Q53-L55 PolarHBondContact O-N 3.45Š| ||
| 56 | A | 33.3 | Very low | 38.4 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | trans | -58.8 | 141.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I54 G58 | I54-A56 VanDerWaalsContact C-N 3.34Å; I54-A56 PolarHBondContact O-N 3.15Å; I54-A56 VanDerWaalsContact O-N 3.08Å; A56-G58 PolarHBondContact O-N 3.4Å; A56-G58 VanDerWaalsContact O-N 3.07Å | ||
| 57 | Q | 34.3 | Very low | 37.4 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -64.2 | 111.1 | -178.6 | -71.5 | -177.8 | -42.1 | 0 | 0 | 111.4 | ||||
| 58 | G | 31.7 | Very low | 36.6 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -111.6 | 134.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A56 Q60 | A56-G58 PolarHBondContact O-N 3.4Å; A56-G58 VanDerWaalsContact O-N 3.07Å; G58-Q60 PolarHBondContact O-N 3.09Å | ||
| 59 | Q | 37.6 | Very low | 35.8 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -73.3 | 121.4 | -170.8 | -59.2 | 164.7 | -55 | 0 | 0 | 113.2 | ||||
| 60 | Q | 34 | Very low | 34.9 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -150.6 | 103.7 | 148.5 | -67.3 | -59.3 | -54.3 | 0 | 0 | 106.5 | G58 | G58-Q60 PolarHBondContact O-N 3.09Š| ||
| 61 | R | 29.7 | Very low | 34.2 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 76.5 | 118.5 | 72.4 | -154 | -146.7 | 172.1 | 101.8 | -0.7 | 113.8 | |||||
| 62 | L | 34.8 | Very low | 34.2 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | 85.4 | 96.2 | 167.7 | -54.8 | -177.5 | 0 | 0 | 0 | 120.7 | ||||
| 63 | Q | 28.9 | Very low | 33.8 | Very low | 190 Ų | 190 | 153 Ų | 153 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | 62.3 | 120 | 108.7 | -174.4 | 176.6 | 73.4 | 0 | 0 | 121 | |||||
| 64 | G | 29.8 | Very low | 33.7 | Very low | 68 Ų | 68 | 152.6 Ų | 152.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 164.6 | 55.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 65 | V | 34.8 | Very low | 33.1 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 153.7 | 145.8 | 172.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 66 | P | 46.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 158.6 Ų | 158.6 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -131.5 | 175.2 | -156.2 | 44.4 | -29.1 | 0 | 0 | 0 | 118.2 | ||||
| 67 | A | 31.4 | Very low | 32.8 | Very low | 92 Ų | 92 | 163 Ų | 163 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -154.4 | 116.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 68 | Q | 32.2 | Very low | 33 | Very low | 174 Ų | 174 | 160.5 Ų | 160.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | 55.2 | 106 | 85.6 | -72.6 | -159.4 | -31.7 | 0 | 0 | 115.6 | |||||
| 69 | F | 32 | Very low | 33.1 | Very low | 206 Ų | 206 | 163.7 Ų | 163.7 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | -158.3 | 152.8 | 104 | -117.5 | -83.6 | 0 | 0 | 0 | 111.2 | |||||
| 70 | E | 29.7 | Very low | 33.4 | Very low | 124 Ų | 124 | 159.4 Ų | 159.4 | 58% | 0.579 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 146.4 | 179.5 | -92 | -176.7 | 111.4 | 0 | 0 | 113 | R72 | E70-R72 IonicContact OE1-CZ 3.18Å; E70-R72 IonicContact OE1-NE 2.7Å; E70-R72 PolarHBondContact OE1-NE 3.29Å; E70-R72 IonicContact OE1-NH2 3.19Å; E70-R72 PolarHBondContact OE1-NH2 3.41Å; E70-R72 IonicContact OE2-NH2 2.78Å | ||
| 71 | H | 32.7 | Very low | 33.5 | Very low | 195 Ų | 195 | 157.2 Ų | 157.2 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -141.4 | 91.9 | 151.9 | -118.5 | -86.4 | 0 | 0 | 0 | 109.7 | ||||
| 72 | R | 31.7 | Very low | 33.9 | Very low | 185 Ų | 185 | 153 Ų | 153 | 70% | 0.698 | 79% | 0.792 | S | S | * | * | trans | -79 | 140.9 | 164.3 | -55.1 | -175.4 | -156 | 172.8 | 12.2 | 108.4 | E70 | E70-R72 IonicContact OE1-CZ 3.18Å; E70-R72 IonicContact OE1-NE 2.7Å; E70-R72 PolarHBondContact OE1-NE 3.29Å; E70-R72 IonicContact OE1-NH2 3.19Å; E70-R72 PolarHBondContact OE1-NH2 3.41Å; E70-R72 IonicContact OE2-NH2 2.78Å | ||
| 73 | F | 30.2 | Very low | 33.8 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | -169.4 | 119.8 | 104.3 | -121.3 | -101.5 | 0 | 0 | 0 | 111.8 | |||||
| 74 | M | 30.8 | Very low | 34.2 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 41.8 | 93.3 | 150.7 | -52.2 | -82.1 | 71.7 | 0 | 0 | 118.6 | ||||
| 75 | E | 30.4 | Very low | 34.6 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 153.1 | 134.8 | -169 | 161.6 | -161.2 | 0 | 0 | 108.5 | ||
| 76 | R | 34.7 | Very low | 34.3 | Very low | 234 Ų | 234 | 152.1 Ų | 152.1 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 143 | -169.1 | 173.7 | 174.8 | -82.9 | 149.6 | -6.9 | 111 | L78 | R76-L78 PolarHBondContact O-N 3.36Š|
| 77 | E | 30.2 | Very low | 33.6 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 129.9 | 176.6 | -72.6 | 170.7 | 115.7 | 0 | 0 | 112.3 | ||
| 78 | L | 38.1 | Very low | 33.6 | Very low | 153 Ų | 153 | 154 Ų | 154 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | 54 | 126.1 | 83.6 | -86.1 | 100.9 | 0 | 0 | 0 | 114.5 | R76 | R76-L78 PolarHBondContact O-N 3.36Š| |||
| 79 | V | 35.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | -172.3 | 139.2 | 121.5 | 141 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 80 | P | 43.3 | Very low | 34.2 | Very low | 97 Ų | 97 | 150.3 Ų | 150.3 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | trans | -89.6 | 159.7 | 172.8 | 36.8 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 81 | P | 37 | Very low | 34.7 | Very low | 130 Ų | 130 | 154 Ų | 154 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -90.8 | 105.4 | 179.6 | 33.8 | -32.4 | 0 | 0 | 0 | 113.3 | ||||
| 82 | T | 36.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -150.7 | 113.6 | 157.3 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 83 | D | 32.3 | Very low | 34.9 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -125.4 | 120.4 | 144.7 | -88.8 | -53.8 | 0 | 0 | 0 | 105.3 | ||||
| 84 | M | 37.5 | Very low | 35.4 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | 70.6 | 144.8 | 77.3 | -65.2 | -152.6 | 73.2 | 0 | 0 | 112.1 | T86 | M84-T86 HydrophobicContact CE-CG2 3.97Š| |||
| 85 | V | 38 | Very low | 35.7 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | cis | -138.2 | 161.3 | 33.5 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 86 | T | 30.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | -53.6 | -179.2 | 179.5 | 59.9 | 0 | 0 | 0 | 0 | 116.4 | M84 | M84-T86 HydrophobicContact CE-CG2 3.97Š| ||
| 87 | S | 31.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -161.1 | 170.5 | 39.6 | -61.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 88 | E | 30.6 | Very low | 37.4 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | trans | 67.9 | 82.6 | 155.2 | -154.4 | 178.9 | 146.2 | 0 | 0 | 118.7 | R90 | E88-R90 HydrophobicContact CG-CG 4.29Å; E88-R90 PolarHBondContact O-N 3.09Å; E88-R90 IonicContact OE1-CZ 3.67Å; E88-R90 IonicContact OE1-NE 2.89Å; E88-R90 PolarHBondContact OE1-NE 3.06Å; E88-R90 IonicContact OE1-NH2 3.52Å | ||
| 89 | A | 35.3 | Very low | 38.2 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -71.4 | 84.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 90 | R | 41.8 | Very low | 38.8 | Very low | 198 Ų | 198 | 133 Ų | 133 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -65.3 | 140.4 | 159.9 | -73.7 | -166 | 174.5 | -153.7 | -4.7 | 110.1 | E88 M92 | E88-R90 HydrophobicContact CG-CG 4.29Å; E88-R90 PolarHBondContact O-N 3.09Å; E88-R90 IonicContact OE1-CZ 3.67Å; E88-R90 IonicContact OE1-NE 2.89Å; E88-R90 PolarHBondContact OE1-NE 3.06Å; E88-R90 IonicContact OE1-NH2 3.52Å; R90-M92 PolarHBondContact O-N 3.41Å | ||
| 91 | Q | 40.4 | Very low | 38.9 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | trans | -62.2 | 90.7 | -177.8 | -67.6 | 176.2 | -15.8 | 0 | 0 | 112 | H93 | Q91-H93 PolarHBondContact O-N 3.28Š| ||
| 92 | M | 33.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -84.3 | 89.6 | 164.9 | -68.8 | -129.3 | -70.3 | 0 | 0 | 109.1 | R90 M94 | R90-M92 PolarHBondContact O-N 3.41Å; M92-M94 VanDerWaalsContact C-N 3.29Å; M92-M94 PolarHBondContact O-N 3.3Å | ||
| 93 | H | 33.7 | Very low | 40.5 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -65.6 | 86 | 173.9 | -167.8 | 102.3 | 0 | 0 | 0 | 109.3 | Q91 G95 | Q91-H93 PolarHBondContact O-N 3.28Å; H93-G95 PolarHBondContact O-N 3.49Å | ||
| 94 | M | 42.1 | Very low | 41.1 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -71.8 | 67.5 | 179.7 | -73.3 | -61.8 | -67.2 | 0 | 0 | 111.4 | M92 | M92-M94 VanDerWaalsContact C-N 3.29Å; M92-M94 PolarHBondContact O-N 3.3Å | ||
| 95 | G | 36.9 | Very low | 41.2 | Very low | 28 Ų | 28 | 135.5 Ų | 135.5 | 29% | 0.289 | 76% | 0.758 | S | S | . | * | trans | -64.7 | 137 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H93 H97 | H93-G95 PolarHBondContact O-N 3.49Å; G95-H97 VanDerWaalsContact C-N 3.32Å; G95-H97 PolarHBondContact O-N 3.06Å; G95-H97 PolarHBondContact O-ND1 3.24Å; G95-H97 VanDerWaalsContact O-ND1 3.1Å | ||
| 96 | P | 42.2 | Very low | 41.5 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -70.9 | 88.7 | 174.8 | 29.9 | -34.1 | 0 | 0 | 0 | 109.7 | L98 | P96-L98 PolarHBondContact O-N 2.9Š| ||
| 97 | H | 41.3 | Very low | 42.2 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | trans | -78.9 | 55 | -178.1 | 53.9 | -86.1 | 0 | 0 | 0 | 112.2 | G95 | G95-H97 VanDerWaalsContact C-N 3.32Å; G95-H97 PolarHBondContact O-N 3.06Å; G95-H97 PolarHBondContact O-ND1 3.24Å; G95-H97 VanDerWaalsContact O-ND1 3.1Å | ||
| 98 | L | 47.9 | Very low | 42.7 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -90 | 152.6 | 161.7 | -65.6 | 179.7 | 0 | 0 | 0 | 109.7 | P96 | P96-L98 PolarHBondContact O-N 2.9Š|
| 99 | G | 53.7 | Low | 43.3 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65 | 172.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 100 | P | 49.1 | Very low | 43.7 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.9 | -173.2 | 24.4 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 101 | P | 44.9 | Very low | 43.7 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 136 | -173.6 | 29.5 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 102 | L | 53.9 | Low | 43.8 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 150.2 | 164.5 | -69.2 | 174 | 0 | 0 | 0 | 110 | ||
| 103 | P | 53 | Low | 44.1 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 149.7 | -169.1 | 27.3 | -35.5 | 0 | 0 | 0 | 113.5 | H105 | P103-H105 PolarHBondContact O-N 3.48Š|
| 104 | P | 45.7 | Very low | 44.5 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -78.1 | 110.8 | -174.3 | 30.6 | -34.7 | 0 | 0 | 0 | 112.4 | A106 | P104-A106 PolarHBondContact O-N 3.09Š| ||
| 105 | H | 39.6 | Very low | 45 | Very low | 184 Ų | 184 | 132 Ų | 132 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -81.6 | 109.3 | 162.4 | -76.1 | -82.7 | 0 | 0 | 0 | 109.9 | P103 N107 | P103-H105 PolarHBondContact O-N 3.48Å; H105-N107 PolarHBondContact O-N 3.29Å | ||
| 106 | A | 44.4 | Very low | 45.2 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 119.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P104 | P104-A106 PolarHBondContact O-N 3.09Š| ||
| 107 | N | 44.1 | Very low | 45.7 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 170.3 | 76.1 | 143.1 | -88 | -27.8 | 0 | 0 | 0 | 111.6 | H105 | H105-N107 PolarHBondContact O-N 3.29Š| ||
| 108 | V | 41.4 | Very low | 46.1 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -136.1 | 117.7 | 162.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 109 | L | 44.3 | Very low | 45.7 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -86.4 | 129.9 | 171.9 | -71.3 | 164.2 | 0 | 0 | 0 | 109.2 | G111 | L109-G111 PolarHBondContact O-N 3.46Š| ||
| 110 | P | 42.9 | Very low | 45.6 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -76 | 94.3 | 176.2 | 30.4 | -33.2 | 0 | 0 | 0 | 110.3 | ||||
| 111 | G | 42.5 | Very low | 45.2 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | -154.9 | 136.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L109 | L109-G111 PolarHBondContact O-N 3.46Š| ||
| 112 | R | 42.6 | Very low | 45.6 | Very low | 217 Ų | 217 | 136.9 Ų | 136.9 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | 63.8 | 87.6 | -176.9 | -66.2 | -177.6 | 161.5 | -154.3 | -6.1 | 116 | ||||
| 113 | T | 39.3 | Very low | 46 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.1 | 142.6 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 114 | F | 42.9 | Very low | 46.4 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 139.5 | 160.1 | -90.5 | -89.7 | 0 | 0 | 0 | 108 | ||
| 115 | P | 53.3 | Low | 47.4 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 129.1 | 176.8 | 29.9 | -33 | 0 | 0 | 0 | 111.1 | ||
| 116 | G | 39.4 | Very low | 48.9 | Very low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81 | 152.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A118 | G116-A118 VanDerWaalsContact C-N 3.34Å; G116-A118 PolarHBondContact O-N 3.17Å |
| 117 | P | 53.8 | Low | 50.7 | Low | 145 Ų | 145 | 131.4 Ų | 131.4 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -84.8 | 65.4 | -171.7 | 35.5 | -37.3 | 0 | 0 | 0 | 113.2 | ||
| 118 | A | 48.6 | Very low | 52.4 | Low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -156.3 | 133.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G116 | G116-A118 VanDerWaalsContact C-N 3.34Å; G116-A118 PolarHBondContact O-N 3.17Å | ||
| 119 | G | 41 | Very low | 54.6 | Low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 117.3 | 147 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G121 | G119-G121 PolarHBondContact O-N 2.94Š|
| 120 | Y | 50.3 | Low | 56.7 | Low | 246 Ų | 246 | 124.2 Ų | 124.2 | 97% | 0.965 | 73% | 0.732 | S | S | * | * | trans | -60.5 | 126.6 | 179.3 | -78 | -106.2 | 0 | 0 | 0 | 110.9 | F122 | Y120-F122 VanDerWaalsContact C-N 3.3Å; Y120-F122 PolarHBondContact O-N 3.38Å | ||
| 121 | G | 40.4 | Very low | 58.9 | Low | 77 Ų | 77 | 119.6 Ų | 119.6 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | -73.1 | 74.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | G119 L123 | G119-G121 PolarHBondContact O-N 2.94Å; G121-L123 PolarHBondContact O-N 3.31Å | ||
| 122 | F | 53.8 | Low | 61.3 | Low | 197 Ų | 197 | 118.8 Ų | 118.8 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | trans | -69 | 107.6 | 160.4 | -155.9 | -87 | 0 | 0 | 0 | 107.5 | Y120 | Y120-F122 VanDerWaalsContact C-N 3.3Å; Y120-F122 PolarHBondContact O-N 3.38Å | ||
| 123 | L | 62.9 | Low | 63.8 | Low | 146 Ų | 146 | 117.1 Ų | 117.1 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 138.1 | 179.3 | -70.5 | 172.1 | 0 | 0 | 0 | 109.5 | G121 S125 | G121-L123 PolarHBondContact O-N 3.31Å; L123-S125 PolarHBondContact O-N 3.35Å; L123-S125 VanDerWaalsContact O-N 3.11Å |
| 124 | P | 60.4 | Low | 66.4 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 118.8 | 172 | 26.6 | -33 | 0 | 0 | 0 | 108.4 | E126 | P124-E126 PolarHBondContact O-N 2.94Š|
| 125 | S | 67.1 | Low | 68.9 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125.1 | 176.4 | 49.8 | 0 | 0 | 0 | 0 | 110 | L123 | L123-S125 PolarHBondContact O-N 3.35Å; L123-S125 VanDerWaalsContact O-N 3.11Å |
| 126 | E | 71.2 | Confident | 70.9 | Confident | 98 Ų | 98 | 113.5 Ų | 113.5 | 46% | 0.458 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 130.4 | 172.8 | -89.6 | -156.4 | 129.7 | 0 | 0 | 109.3 | P124 V131 R134 | P124-E126 PolarHBondContact O-N 2.94Å; E126-V131 HydrophobicContact CB-CG2 3.79Å; E126-R134 IonicContact OE1-NH2 2.77Å; E126-R134 PolarHBondContact OE1-NH2 2.94Å; E126-R134 IonicContact OE2-CZ 2.65Å; E126-R134 IonicContact OE2-NE 2.86Å; E126-R134 PolarHBondContact OE2-NE 3.4Å; E126-R134 IonicContact OE2-NH2 3.5Å; E126-R134 PolarHBondContact OE2-NH2 2.68Å |
| 127 | P | 82.6 | Confident | 73.6 | Confident | 76 Ų | 76 | 116.7 Ų | 116.7 | 49% | 0.494 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -63 | 141.1 | 177 | 27.1 | -33.9 | 0 | 0 | 0 | 109.5 | E129 T130 V131 | P127-E129 WeakPolarHBondContact CB-OE2 3.46Å; P127-E129 PolarHBondContact O-N 3.42Å; P127-T130 WeakPolarHBondContact CD-OG1 3.42Å; P127-T130 HydrophobicContact CG-CG2 3.86Å; P127-T130 PolarHBondContact O-N 2.83Å; P127-T130 PolarHBondContact O-OG1 3.07Å; P127-V131 PolarHBondContact O-N 2.98Å |
| 128 | M | 79.8 | Confident | 75.7 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.5 | -31.2 | -167.5 | -167.5 | 65.5 | -118.1 | 0 | 0 | 112.7 | T130 V131 A132 | M128-T130 VanDerWaalsContact C-N 3.34Å; M128-T130 PolarHBondContact O-N 3.23Å; M128-V131 HydrophobicContact CE-CB 3.98Å; M128-V131 HydrophobicContact CE-CG1 3.96Å; M128-V131 PolarHBondContact O-N 2.96Å; M128-A132 VanDerWaalsContact O-CB 3.31Å; M128-A132 WeakPolarHBondContact O-CB 3.43Å; M128-A132 PolarHBondContact O-N 3.23Å |
| 129 | E | 86.8 | Confident | 77.9 | Confident | 134 Ų | 134 | 114.8 Ų | 114.8 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -33.3 | 177.8 | -58.6 | 71 | -155.2 | 0 | 0 | 112.9 | P127 R133 | P127-E129 WeakPolarHBondContact CB-OE2 3.46Å; P127-E129 PolarHBondContact O-N 3.42Å; E129-R133 VanDerWaalsContact O-CB 3.31Å; E129-R133 WeakPolarHBondContact O-CB 3.38Å; E129-R133 PolarHBondContact O-N 3.23Å |
| 130 | T | 88.3 | Confident | 80.6 | Confident | 56 Ų | 56 | 116.9 Ų | 116.9 | 34% | 0.344 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75.4 | -40.6 | 176.4 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | P127 M128 R133 R134 | P127-T130 WeakPolarHBondContact CD-OG1 3.42Å; P127-T130 HydrophobicContact CG-CG2 3.86Å; P127-T130 PolarHBondContact O-N 2.83Å; P127-T130 PolarHBondContact O-OG1 3.07Å; M128-T130 VanDerWaalsContact C-N 3.34Å; M128-T130 PolarHBondContact O-N 3.23Å; T130-R133 PolarHBondContact O-N 3.32Å; T130-R134 VanDerWaalsContact O-CB 3.31Å; T130-R134 WeakPolarHBondContact O-CB 3.18Å; T130-R134 PolarHBondContact O-N 2.97Å |
| 131 | V | 90.7 | Very high | 82.8 | Confident | 39 Ų | 39 | 111.7 Ų | 111.7 | 24% | 0.236 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -65 | -42.4 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | E126 P127 M128 R134 Q135 | E126-V131 HydrophobicContact CB-CG2 3.79Å; P127-V131 PolarHBondContact O-N 2.98Å; M128-V131 HydrophobicContact CE-CB 3.98Å; M128-V131 HydrophobicContact CE-CG1 3.96Å; M128-V131 PolarHBondContact O-N 2.96Å; V131-R134 WeakPolarHBondContact O-CB 3.28Å; V131-R134 PolarHBondContact O-N 2.9Å; V131-Q135 WeakPolarHBondContact O-CG 3.49Å; V131-Q135 PolarHBondContact O-N 2.99Å |
| 132 | A | 93.2 | Very high | 85.4 | Confident | 48 Ų | 48 | 111.9 Ų | 111.9 | 40% | 0.397 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M128 R134 Q135 E136 | M128-A132 VanDerWaalsContact O-CB 3.31Å; M128-A132 WeakPolarHBondContact O-CB 3.43Å; M128-A132 PolarHBondContact O-N 3.23Å; A132-R134 VanDerWaalsContact C-N 3.31Å; A132-R134 PolarHBondContact O-N 3.09Å; A132-Q135 PolarHBondContact O-N 2.65Å; A132-E136 PolarHBondContact O-N 2.9Å |
| 133 | R | 94.5 | Very high | 87.4 | Confident | 183 Ų | 183 | 105.7 Ų | 105.7 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -36.6 | 175.9 | -171.2 | -177.3 | -61.3 | -150.2 | -0.3 | 112.5 | E129 T130 E136 L137 | E129-R133 VanDerWaalsContact O-CB 3.31Å; E129-R133 WeakPolarHBondContact O-CB 3.38Å; E129-R133 PolarHBondContact O-N 3.23Å; T130-R133 PolarHBondContact O-N 3.32Å; R133-E136 PolarHBondContact O-N 2.77Å; R133-L137 PolarHBondContact O-N 2.67Å |
| 134 | R | 94.2 | Very high | 89 | Confident | 134 Ų | 134 | 101.2 Ų | 101.2 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 173.9 | -173.6 | -166.8 | -63.9 | -84.3 | 3.7 | 110.7 | E126 T130 V131 A132 L137 I138 | E126-R134 IonicContact OE1-NH2 2.77Å; E126-R134 PolarHBondContact OE1-NH2 2.94Å; E126-R134 IonicContact OE2-CZ 2.65Å; E126-R134 IonicContact OE2-NE 2.86Å; E126-R134 PolarHBondContact OE2-NE 3.4Å; E126-R134 IonicContact OE2-NH2 3.5Å; E126-R134 PolarHBondContact OE2-NH2 2.68Å; T130-R134 VanDerWaalsContact O-CB 3.31Å; T130-R134 WeakPolarHBondContact O-CB 3.18Å; T130-R134 PolarHBondContact O-N 2.97Å; V131-R134 WeakPolarHBondContact O-CB 3.28Å; V131-R134 PolarHBondContact O-N 2.9Å; A132-R134 VanDerWaalsContact C-N 3.31Å; A132-R134 PolarHBondContact O-N 3.09Å; R134-L137 PolarHBondContact O-N 3.25Å; R134-I138 HydrophobicContact CG-CD1 4.14Å; R134-I138 WeakPolarHBondContact O-CD1 3.36Å; R134-I138 VanDerWaalsContact O-CG1 3.3Å; R134-I138 WeakPolarHBondContact O-CG1 3.36Å; R134-I138 PolarHBondContact O-N 3.01Å; R134-I138 VanDerWaalsContact O-N 3.13Å |
| 135 | Q | 95.3 | Very high | 90.7 | Very high | 124 Ų | 124 | 103.1 Ų | 103.1 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 176.2 | -69.9 | -176.2 | 34.4 | 0 | 0 | 112.3 | V131 A132 L137 I138 H139 | V131-Q135 WeakPolarHBondContact O-CG 3.49Å; V131-Q135 PolarHBondContact O-N 2.99Å; A132-Q135 PolarHBondContact O-N 2.65Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-L137 PolarHBondContact O-N 3.43Å; Q135-I138 PolarHBondContact O-N 2.61Å; Q135-H139 VanDerWaalsContact O-CB 3.29Å; Q135-H139 WeakPolarHBondContact O-CB 3.5Å; Q135-H139 PolarHBondContact O-N 2.84Å |
| 136 | E | 95 | Very high | 92.1 | Very high | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176 | -167.6 | -161.9 | 162.5 | 0 | 0 | 111.8 | A132 R133 H139 K140 | A132-E136 PolarHBondContact O-N 2.9Å; R133-E136 PolarHBondContact O-N 2.77Å; E136-H139 PolarHBondContact O-N 3.35Å; E136-K140 HydrophobicContact CG-CD 4.37Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.35Å; E136-K140 PolarHBondContact O-N 2.86Å; E136-K140 VanDerWaalsContact OE1-CE 3.32Å; E136-K140 WeakPolarHBondContact OE1-CE 3.34Å; E136-K140 IonicContact OE1-NZ 3.93Å; E136-K140 PolarHBondContact OE1-NZ 3.41Å |
| 137 | L | 96.6 | Very high | 93.2 | Very high | 125 Ų | 125 | 105.7 Ų | 105.7 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 177.4 | -174.2 | 66.7 | 0 | 0 | 0 | 112 | R133 R134 Q135 H139 K140 Q141 | R133-L137 PolarHBondContact O-N 2.67Å; R134-L137 PolarHBondContact O-N 3.25Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-L137 PolarHBondContact O-N 3.43Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-K140 PolarHBondContact O-N 3.29Å; L137-Q141 WeakPolarHBondContact O-CB 3.25Å; L137-Q141 PolarHBondContact O-N 3.25Å |
| 138 | I | 96.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 108.5 Ų | 108.5 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.6 | -67.9 | 164.7 | 0 | 0 | 0 | 110.6 | R134 Q135 Q141 N142 | R134-I138 HydrophobicContact CG-CD1 4.14Å; R134-I138 WeakPolarHBondContact O-CD1 3.36Å; R134-I138 VanDerWaalsContact O-CG1 3.3Å; R134-I138 WeakPolarHBondContact O-CG1 3.36Å; R134-I138 PolarHBondContact O-N 3.01Å; R134-I138 VanDerWaalsContact O-N 3.13Å; Q135-I138 PolarHBondContact O-N 2.61Å; I138-Q141 PolarHBondContact O-N 3.21Å; I138-N142 WeakPolarHBondContact O-CB 3.05Å; I138-N142 PolarHBondContact O-N 3.45Å; I138-N142 PolarHBondContact O-ND2 3.25Å |
| 139 | H | 96.3 | Very high | 94.4 | Very high | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -45.8 | 177.4 | -174.9 | 67 | 0 | 0 | 0 | 111.6 | Q135 E136 L137 Q141 N142 I143 | Q135-H139 VanDerWaalsContact O-CB 3.29Å; Q135-H139 WeakPolarHBondContact O-CB 3.5Å; Q135-H139 PolarHBondContact O-N 2.84Å; E136-H139 PolarHBondContact O-N 3.35Å; L137-H139 VanDerWaalsContact C-N 3.34Å; H139-Q141 PolarHBondContact O-N 2.86Å; H139-N142 PolarHBondContact O-N 3.05Å; H139-I143 WeakPolarHBondContact O-CG1 3.44Å; H139-I143 PolarHBondContact O-N 3.41Å |
| 140 | K | 97.2 | Very high | 94.7 | Very high | 119 Ų | 119 | 102.2 Ų | 102.2 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.1 | -75.5 | 173.4 | 173.7 | 175.6 | 0 | 112.6 | E136 L137 I143 A144 | E136-K140 HydrophobicContact CG-CD 4.37Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.35Å; E136-K140 PolarHBondContact O-N 2.86Å; E136-K140 VanDerWaalsContact OE1-CE 3.32Å; E136-K140 WeakPolarHBondContact OE1-CE 3.34Å; E136-K140 IonicContact OE1-NZ 3.93Å; E136-K140 PolarHBondContact OE1-NZ 3.41Å; L137-K140 PolarHBondContact O-N 3.29Å; K140-I143 PolarHBondContact O-N 3.5Å; K140-A144 WeakPolarHBondContact O-CB 3.49Å; K140-A144 PolarHBondContact O-N 3.44Å |
| 141 | Q | 96.7 | Very high | 95 | Very high | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 174.2 | -171.7 | 179.1 | 32 | 0 | 0 | 111.9 | L137 I138 H139 A144 R145 | L137-Q141 WeakPolarHBondContact O-CB 3.25Å; L137-Q141 PolarHBondContact O-N 3.25Å; I138-Q141 PolarHBondContact O-N 3.21Å; H139-Q141 PolarHBondContact O-N 2.86Å; Q141-A144 PolarHBondContact O-N 2.98Å; Q141-R145 WeakPolarHBondContact O-CB 3.46Å; Q141-R145 PolarHBondContact O-N 2.75Å |
| 142 | N | 94.3 | Very high | 95.1 | Very high | 82 Ų | 82 | 107.8 Ų | 107.8 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 177.3 | -76.3 | -32.6 | 0 | 0 | 0 | 112.8 | I138 H139 R145 M146 | I138-N142 WeakPolarHBondContact O-CB 3.05Å; I138-N142 PolarHBondContact O-N 3.45Å; I138-N142 PolarHBondContact O-ND2 3.25Å; H139-N142 PolarHBondContact O-N 3.05Å; N142-R145 PolarHBondContact O-N 3.33Å; N142-M146 WeakPolarHBondContact O-CB 3.21Å; N142-M146 PolarHBondContact O-N 3.21Å |
| 143 | I | 96.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 110.8 Ų | 110.8 | 34% | 0.338 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -52.9 | 171.8 | -69.4 | 167.2 | 0 | 0 | 0 | 110.1 | H139 K140 R145 M146 E147 | H139-I143 WeakPolarHBondContact O-CG1 3.44Å; H139-I143 PolarHBondContact O-N 3.41Å; K140-I143 PolarHBondContact O-N 3.5Å; I143-R145 PolarHBondContact O-N 3Å; I143-M146 WeakPolarHBondContact O-CA 3.38Å; I143-M146 WeakPolarHBondContact O-CB 3.33Å; I143-M146 PolarHBondContact O-N 3.05Å; I143-E147 HydrophobicContact CG2-CG 4.18Å; I143-E147 WeakPolarHBondContact O-CG 3.5Å; I143-E147 PolarHBondContact O-N 3.16Å |
| 144 | A | 97 | Very high | 95.1 | Very high | 52 Ų | 52 | 108.5 Ų | 108.5 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.8 | -35.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K140 Q141 M148 | K140-A144 WeakPolarHBondContact O-CB 3.49Å; K140-A144 PolarHBondContact O-N 3.44Å; Q141-A144 PolarHBondContact O-N 2.98Å; A144-M148 VanDerWaalsContact O-CB 3.26Å; A144-M148 WeakPolarHBondContact O-CB 3.31Å; A144-M148 PolarHBondContact O-N 2.93Å |
| 145 | R | 95.8 | Very high | 95 | Very high | 162 Ų | 162 | 108.6 Ų | 108.6 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 173.4 | -162.4 | 179.6 | 81 | 102.5 | -1 | 112.5 | Q141 N142 I143 N149 | Q141-R145 WeakPolarHBondContact O-CB 3.46Å; Q141-R145 PolarHBondContact O-N 2.75Å; N142-R145 PolarHBondContact O-N 3.33Å; I143-R145 PolarHBondContact O-N 3Å; R145-N149 WeakPolarHBondContact O-CB 3.47Å; R145-N149 PolarHBondContact O-N 3.02Å; R145-N149 PolarHBondContact O-OD1 2.67Å |
| 146 | M | 95 | Very high | 94.9 | Very high | 140 Ų | 140 | 108.4 Ų | 108.4 | 69% | 0.69 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.1 | -46.2 | 176.2 | -169.3 | -175.4 | -60.1 | 0 | 0 | 111.3 | N142 I143 N149 A150 | N142-M146 WeakPolarHBondContact O-CB 3.21Å; N142-M146 PolarHBondContact O-N 3.21Å; I143-M146 WeakPolarHBondContact O-CA 3.38Å; I143-M146 WeakPolarHBondContact O-CB 3.33Å; I143-M146 PolarHBondContact O-N 3.05Å; M146-N149 PolarHBondContact O-N 2.9Å; M146-A150 WeakPolarHBondContact O-CB 3.28Å; M146-A150 PolarHBondContact O-N 2.85Å |
| 147 | E | 94.4 | Very high | 94.5 | Very high | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 176.1 | -68.7 | 177.4 | 158.1 | 0 | 0 | 111.5 | I143 N149 A150 I151 | I143-E147 HydrophobicContact CG2-CG 4.18Å; I143-E147 WeakPolarHBondContact O-CG 3.5Å; I143-E147 PolarHBondContact O-N 3.16Å; E147-N149 VanDerWaalsContact C-N 3.35Å; E147-N149 PolarHBondContact O-N 3.25Å; E147-A150 PolarHBondContact O-N 3.22Å; E147-I151 WeakPolarHBondContact O-CB 3.28Å; E147-I151 WeakPolarHBondContact O-CD1 3.15Å; E147-I151 VanDerWaalsContact O-CG1 3.26Å; E147-I151 WeakPolarHBondContact O-CG1 3.43Å; E147-I151 PolarHBondContact O-N 3.4Å |
| 148 | M | 94.7 | Very high | 94 | Very high | 135 Ų | 135 | 107.8 Ų | 107.8 | 67% | 0.665 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 176.3 | -177.6 | 176.8 | 176.8 | 0 | 0 | 112.3 | A144 I151 L152 | A144-M148 VanDerWaalsContact O-CB 3.26Å; A144-M148 WeakPolarHBondContact O-CB 3.31Å; A144-M148 PolarHBondContact O-N 2.93Å; M148-I151 PolarHBondContact O-N 3.12Å; M148-L152 WeakPolarHBondContact O-CB 3.36Å; M148-L152 PolarHBondContact O-N 3.18Å |
| 149 | N | 92.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 107 Ų | 107 | 35% | 0.348 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.9 | -73.2 | 1 | 0 | 0 | 0 | 112 | R145 M146 E147 L152 H153 | R145-N149 WeakPolarHBondContact O-CB 3.47Å; R145-N149 PolarHBondContact O-N 3.02Å; R145-N149 PolarHBondContact O-OD1 2.67Å; M146-N149 PolarHBondContact O-N 2.9Å; E147-N149 VanDerWaalsContact C-N 3.35Å; E147-N149 PolarHBondContact O-N 3.25Å; N149-L152 PolarHBondContact O-N 3.03Å; N149-H153 PolarHBondContact O-CD2 3.34Å; N149-H153 VanDerWaalsContact O-CD2 3.28Å; N149-H153 PolarHBondContact O-N 2.68Å |
| 150 | A | 94.5 | Very high | 92.7 | Very high | 58 Ų | 58 | 103.9 Ų | 103.9 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M146 E147 L152 H153 Q154 | M146-A150 WeakPolarHBondContact O-CB 3.28Å; M146-A150 PolarHBondContact O-N 2.85Å; E147-A150 PolarHBondContact O-N 3.22Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 2.81Å; A150-H153 PolarHBondContact O-N 3.3Å; A150-Q154 VanDerWaalsContact O-CB 3.31Å; A150-Q154 WeakPolarHBondContact O-CB 3.43Å; A150-Q154 PolarHBondContact O-N 3.35Å |
| 151 | I | 93.6 | Very high | 91.6 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 56% | 0.559 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 174.8 | -67.8 | 163.1 | 0 | 0 | 0 | 111 | E147 M148 Q154 K155 | E147-I151 WeakPolarHBondContact O-CB 3.28Å; E147-I151 WeakPolarHBondContact O-CD1 3.15Å; E147-I151 VanDerWaalsContact O-CG1 3.26Å; E147-I151 WeakPolarHBondContact O-CG1 3.43Å; E147-I151 PolarHBondContact O-N 3.4Å; M148-I151 PolarHBondContact O-N 3.12Å; I151-Q154 PolarHBondContact O-N 2.61Å; I151-K155 WeakPolarHBondContact O-CB 3.38Å; I151-K155 PolarHBondContact O-N 2.85Å |
| 152 | L | 93.6 | Very high | 90.4 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 177.1 | -178.3 | 61.4 | 0 | 0 | 0 | 111.6 | M148 N149 A150 K155 E156 | M148-L152 WeakPolarHBondContact O-CB 3.36Å; M148-L152 PolarHBondContact O-N 3.18Å; N149-L152 PolarHBondContact O-N 3.03Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 2.81Å; L152-K155 PolarHBondContact O-N 2.99Å; L152-E156 WeakPolarHBondContact O-CB 3.22Å; L152-E156 PolarHBondContact O-N 3.25Å |
| 153 | H | 93.6 | Very high | 89 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 177.4 | -71.7 | -52.8 | 0 | 0 | 0 | 113 | N149 A150 K155 E156 L157 | N149-H153 PolarHBondContact O-CD2 3.34Å; N149-H153 VanDerWaalsContact O-CD2 3.28Å; N149-H153 PolarHBondContact O-N 2.68Å; A150-H153 PolarHBondContact O-N 3.3Å; H153-K155 VanDerWaalsContact C-N 3.34Å; H153-E156 IonicContact CE1-OE2 2.68Å; H153-E156 IonicContact CG-OE2 2.6Å; H153-E156 IonicContact ND1-OE2 2.67Å; H153-E156 PolarHBondContact ND1-OE2 2.82Å; H153-E156 PolarHBondContact O-N 3.45Å; H153-L157 VanDerWaalsContact O-CB 3.32Å; H153-L157 WeakPolarHBondContact O-CB 3.31Å; H153-L157 PolarHBondContact O-N 2.97Å |
| 154 | Q | 93.9 | Very high | 87.3 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 171.7 | -176.8 | 176.8 | -5 | 0 | 0 | 111.1 | A150 I151 L157 E158 | A150-Q154 VanDerWaalsContact O-CB 3.31Å; A150-Q154 WeakPolarHBondContact O-CB 3.43Å; A150-Q154 PolarHBondContact O-N 3.35Å; I151-Q154 PolarHBondContact O-N 2.61Å; Q154-L157 PolarHBondContact O-N 3.27Å; Q154-E158 WeakPolarHBondContact O-CB 3.26Å; Q154-E158 PolarHBondContact O-N 3.19Å |
| 155 | K | 92.6 | Very high | 85.3 | Confident | 136 Ų | 136 | 109.2 Ų | 109.2 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.6 | -34.9 | 176.3 | -173.4 | 176.5 | -175.3 | -179 | 0 | 112.7 | I151 L152 H153 E158 N159 | I151-K155 WeakPolarHBondContact O-CB 3.38Å; I151-K155 PolarHBondContact O-N 2.85Å; L152-K155 PolarHBondContact O-N 2.99Å; H153-K155 VanDerWaalsContact C-N 3.34Å; K155-E158 PolarHBondContact O-N 3.25Å; K155-N159 WeakPolarHBondContact O-CB 3.42Å; K155-N159 PolarHBondContact O-N 2.69Å |
| 156 | E | 91.7 | Very high | 83.3 | Confident | 119 Ų | 119 | 109.1 Ų | 109.1 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -46.4 | 172.2 | -179.8 | 175.2 | -145.2 | 0 | 0 | 110.9 | L152 H153 N159 A160 | L152-E156 WeakPolarHBondContact O-CB 3.22Å; L152-E156 PolarHBondContact O-N 3.25Å; H153-E156 IonicContact CE1-OE2 2.68Å; H153-E156 IonicContact CG-OE2 2.6Å; H153-E156 IonicContact ND1-OE2 2.67Å; H153-E156 PolarHBondContact ND1-OE2 2.82Å; H153-E156 PolarHBondContact O-N 3.45Å; E156-N159 PolarHBondContact O-N 2.87Å; E156-A160 WeakPolarHBondContact O-CB 3.28Å; E156-A160 PolarHBondContact O-N 3.3Å |
| 157 | L | 87.8 | Confident | 81.2 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.7 | -40.2 | 175.7 | -171.2 | 66.8 | 0 | 0 | 0 | 112.1 | H153 Q154 A160 H161 | H153-L157 VanDerWaalsContact O-CB 3.32Å; H153-L157 WeakPolarHBondContact O-CB 3.31Å; H153-L157 PolarHBondContact O-N 2.97Å; Q154-L157 PolarHBondContact O-N 3.27Å; L157-A160 PolarHBondContact O-N 2.87Å; L157-H161 PolarHBondContact O-N 3.09Å; L157-H161 PolarHBondContact O-ND1 2.97Å |
| 158 | E | 86.1 | Confident | 79.3 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -43.7 | 173.3 | -169.9 | -165.6 | 99.4 | 0 | 0 | 111.5 | Q154 K155 H161 Q162 | Q154-E158 WeakPolarHBondContact O-CB 3.26Å; Q154-E158 PolarHBondContact O-N 3.19Å; K155-E158 PolarHBondContact O-N 3.25Å; E158-H161 PolarHBondContact O-N 2.9Å; E158-Q162 WeakPolarHBondContact O-CG 3.44Å; E158-Q162 PolarHBondContact O-N 3.43Å; E158-Q162 PolarHBondContact OE1-NE2 3.03Å |
| 159 | N | 84.9 | Confident | 76.7 | Confident | 66 Ų | 66 | 109 Ų | 109 | 35% | 0.353 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.5 | -39.6 | 177.4 | -169.3 | -51.3 | 0 | 0 | 0 | 111.4 | K155 E156 Q162 K163 | K155-N159 WeakPolarHBondContact O-CB 3.42Å; K155-N159 PolarHBondContact O-N 2.69Å; E156-N159 PolarHBondContact O-N 2.87Å; N159-Q162 PolarHBondContact O-N 3.13Å; N159-K163 WeakPolarHBondContact O-CB 2.97Å; N159-K163 WeakPolarHBondContact O-CG 3.5Å; N159-K163 PolarHBondContact O-N 3.45Å; N159-K163 WeakPolarHBondContact OD1-CD 3.28Å; N159-K163 WeakPolarHBondContact OD1-CE 3.48Å; N159-K163 PolarHBondContact OD1-NZ 2.86Å |
| 160 | A | 79.1 | Confident | 74.3 | Confident | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -42.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | E156 L157 K163 G164 | E156-A160 WeakPolarHBondContact O-CB 3.28Å; E156-A160 PolarHBondContact O-N 3.3Å; L157-A160 PolarHBondContact O-N 2.87Å; A160-K163 PolarHBondContact O-N 3.32Å; A160-G164 PolarHBondContact O-N 3.4Å |
| 161 | H | 75.8 | Confident | 72.1 | Confident | 125 Ų | 125 | 116.2 Ų | 116.2 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 174.6 | -79.4 | 76.5 | 0 | 0 | 0 | 112.2 | L157 E158 K163 G164 L165 | L157-H161 PolarHBondContact O-N 3.09Å; L157-H161 PolarHBondContact O-ND1 2.97Å; E158-H161 PolarHBondContact O-N 2.9Å; H161-K163 PolarHBondContact O-N 2.88Å; H161-G164 PolarHBondContact O-N 3.08Å; H161-L165 WeakPolarHBondContact O-CB 3.35Å; H161-L165 PolarHBondContact O-N 3.44Å |
| 162 | Q | 71 | Confident | 69.5 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 49% | 0.486 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.3 | -41.4 | 176.6 | -74 | 169.4 | 11.5 | 0 | 0 | 111.8 | E158 N159 L165 M166 | E158-Q162 WeakPolarHBondContact O-CG 3.44Å; E158-Q162 PolarHBondContact O-N 3.43Å; E158-Q162 PolarHBondContact OE1-NE2 3.03Å; N159-Q162 PolarHBondContact O-N 3.13Å; Q162-L165 PolarHBondContact O-N 3.02Å; Q162-M166 VanDerWaalsContact O-CG 3.29Å; Q162-M166 WeakPolarHBondContact O-CG 3.36Å; Q162-M166 PolarHBondContact O-N 3.21Å |
| 163 | K | 65.1 | Low | 66.7 | Low | 145 Ų | 145 | 118.3 Ų | 118.3 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.3 | -40 | 173.7 | -76.5 | 168.2 | 173.6 | 158.5 | 0 | 112.6 | N159 A160 H161 M166 G167 | N159-K163 WeakPolarHBondContact O-CB 2.97Å; N159-K163 WeakPolarHBondContact O-CG 3.5Å; N159-K163 PolarHBondContact O-N 3.45Å; N159-K163 WeakPolarHBondContact OD1-CD 3.28Å; N159-K163 WeakPolarHBondContact OD1-CE 3.48Å; N159-K163 PolarHBondContact OD1-NZ 2.86Å; A160-K163 PolarHBondContact O-N 3.32Å; H161-K163 PolarHBondContact O-N 2.88Å; K163-M166 PolarHBondContact O-N 3.24Å; K163-G167 PolarHBondContact O-N 2.92Å |
| 164 | G | 59.8 | Low | 64.1 | Low | 44 Ų | 44 | 122.6 Ų | 122.6 | 45% | 0.454 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.1 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A160 H161 G167 | A160-G164 PolarHBondContact O-N 3.4Å; H161-G164 PolarHBondContact O-N 3.08Å; G164-G167 PolarHBondContact O-N 3.07Å; G164-G167 VanDerWaalsContact O-N 3.15Å |
| 165 | L | 55.9 | Low | 61.3 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.4 | -35.1 | 179.3 | -147.4 | 77.6 | 0 | 0 | 0 | 112.7 | H161 Q162 G167 | H161-L165 WeakPolarHBondContact O-CB 3.35Å; H161-L165 PolarHBondContact O-N 3.44Å; Q162-L165 PolarHBondContact O-N 3.02Å; L165-G167 PolarHBondContact O-N 3.35Å |
| 166 | M | 53.4 | Low | 58.5 | Low | 161 Ų | 161 | 122.9 Ų | 122.9 | 79% | 0.793 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.8 | -16.2 | 173.2 | -70.5 | -71.8 | -65.1 | 0 | 0 | 113.3 | Q162 K163 | Q162-M166 VanDerWaalsContact O-CG 3.29Å; Q162-M166 WeakPolarHBondContact O-CG 3.36Å; Q162-M166 PolarHBondContact O-N 3.21Å; K163-M166 PolarHBondContact O-N 3.24Å |
| 167 | G | 50.3 | Low | 55.7 | Low | 58 Ų | 58 | 124.6 Ų | 124.6 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 7.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K163 G164 L165 | K163-G167 PolarHBondContact O-N 2.92Å; G164-G167 PolarHBondContact O-N 3.07Å; G164-G167 VanDerWaalsContact O-N 3.15Å; L165-G167 PolarHBondContact O-N 3.35Å |
| 168 | M | 54.9 | Low | 53.8 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 79% | 0.793 | 67% | 0.673 | S | S | * | * | trans | -117.2 | 61.1 | 179 | -66.3 | -159.7 | 73.9 | 0 | 0 | 111.9 | ||||
| 169 | E | 41.1 | Very low | 51.7 | Low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -76.8 | 127.9 | 167.5 | 56.4 | -158.2 | 142.3 | 0 | 0 | 111.2 | P171 | E169-P171 WeakPolarHBondContact O-CD 3.17Š| ||
| 170 | N | 40.7 | Very low | 49.3 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -62.5 | 123.8 | -165.2 | -80.3 | -17.8 | 0 | 0 | 0 | 114.1 | M172 | N170-M172 VanDerWaalsContact C-N 3.26Å; N170-M172 PolarHBondContact O-N 3.06Å | ||
| 171 | P | 48.4 | Very low | 47.6 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -80.9 | 70.5 | 167.6 | 34.9 | -34.9 | 0 | 0 | 0 | 111 | E169 | E169-P171 WeakPolarHBondContact O-CD 3.17Š|
| 172 | M | 39.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 146 Ų | 146 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | -169.8 | 114.6 | 139.9 | -127.1 | 58.3 | -177.4 | 0 | 0 | 112 | N170 Y174 | N170-M172 VanDerWaalsContact C-N 3.26Å; N170-M172 PolarHBondContact O-N 3.06Å; M172-Y174 HydrophobicContact CE-CD2 4.38Å; M172-Y174 HydrophobicContact CE-CE2 3.52Å; M172-Y174 HydrophobicContact CG-CD2 4.03Å; M172-Y174 HydrophobicContact CG-CE2 4.09Å | ||
| 173 | S | 35 | Very low | 43.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -122 | 100 | 165.9 | -74.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 174 | Y | 39 | Very low | 42 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 136 | 171 | -93.9 | -70 | 0 | 0 | 0 | 111.3 | M172 | M172-Y174 HydrophobicContact CE-CD2 4.38Å; M172-Y174 HydrophobicContact CE-CE2 3.52Å; M172-Y174 HydrophobicContact CG-CD2 4.03Å; M172-Y174 HydrophobicContact CG-CE2 4.09Å |
| 175 | H | 34.8 | Very low | 41.1 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 143 | -170.3 | -157.6 | 89.2 | 0 | 0 | 0 | 112.2 | ||
| 176 | S | 33.7 | Very low | 40 | Very low | 95 Ų | 95 | 157.6 Ų | 157.6 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 144.7 | -178.5 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 177 | N | 33 | Very low | 39.5 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | -171.9 | 160.4 | 130 | -99.8 | -51.7 | 0 | 0 | 0 | 111.9 | |||||
| 178 | P | 47.8 | Very low | 39.2 | Very low | 104 Ų | 104 | 159.4 Ų | 159.4 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -103.2 | 171 | -162.4 | 39.6 | -37.4 | 0 | 0 | 0 | 116 | ||||
| 179 | M | 42 | Very low | 38.4 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 84% | 0.837 | 79% | 0.794 | S | S | * | * | trans | 68.6 | 106.8 | 160.1 | -68.6 | -93.7 | -80.7 | 0 | 0 | 118.8 | ||||
| 180 | L | 35.4 | Very low | 37.9 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | -172.7 | 156.7 | 113.8 | -101.7 | 166.5 | 0 | 0 | 0 | 113.3 | |||||
| 181 | F | 43 | Very low | 37.8 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -101.7 | 123.6 | -176.2 | -114.6 | -95 | 0 | 0 | 0 | 112.3 | ||||
| 182 | R | 32 | Very low | 37 | Very low | 256 Ų | 256 | 154 Ų | 154 | 97% | 0.966 | 78% | 0.778 | S | S | * | * | trans | 164.9 | 150.2 | 152 | -96.1 | 168.3 | -173.2 | -142.2 | 4.1 | 108.8 | ||||
| 183 | G | 29.1 | Very low | 36.9 | Very low | 70 Ų | 70 | 154.1 Ų | 154.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 151.6 | 133.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 184 | R | 33.1 | Very low | 37 | Very low | 215 Ų | 215 | 156.9 Ų | 156.9 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 63.6 | 101.1 | 176.3 | -75.1 | -172.9 | 165.8 | -79.9 | 3.6 | 119 | ||||
| 185 | Q | 41 | Very low | 36.8 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | 33.5 | 116.6 | 100.9 | -176.2 | -168.7 | 52.3 | 0 | 0 | 118.4 | |||||
| 186 | R | 32.1 | Very low | 36.6 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -157 | 116.2 | 144.1 | -111.9 | -177.9 | -173.5 | 163.9 | 1.9 | 111.6 | ||||
| 187 | M | 43 | Very low | 37.3 | Very low | 146 Ų | 146 | 160 Ų | 160 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -87 | 151 | 143.3 | -64 | -61.8 | -67 | 0 | 0 | 106.2 | ||||
| 188 | P | 45.8 | Very low | 37.5 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | -135.1 | -179.3 | 65.9 | 34.7 | -16.9 | 0 | 0 | 0 | 114.1 | |||||
| 189 | D | 36.5 | Very low | 36.9 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | cis | -175.4 | 169.2 | -34.4 | -83.3 | -28.7 | 0 | 0 | 0 | 105.5 | ||||
| 190 | G | 31 | Very low | 36.9 | Very low | 55 Ų | 55 | 157.8 Ų | 157.8 | 57% | 0.567 | 79% | 0.793 | S | S | * | * | cis | 170.9 | 179.6 | 0.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 191 | H | 38 | Very low | 36.9 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 65.3 | 128.6 | 179.3 | -54.4 | -65.1 | 0 | 0 | 0 | 117.1 | ||||
| 192 | D | 33.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 154.9 Ų | 154.9 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | cis | -160.9 | -177.7 | -12.5 | -134 | -59.3 | 0 | 0 | 0 | 111.8 | ||||
| 193 | V | 36.3 | Very low | 36.8 | Very low | 135 Ų | 135 | 148 Ų | 148 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 83.8 | 119.1 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 194 | F | 37.2 | Very low | 37.6 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -78.1 | 147.3 | 178 | -80.1 | -125.1 | 0 | 0 | 0 | 112.9 | ||||
| 195 | V | 34 | Very low | 37.9 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | -157.3 | 136.3 | 94.6 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 196 | H | 32.3 | Very low | 37.9 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 134.1 | -173.9 | -124.7 | -83.3 | 0 | 0 | 0 | 113.7 | ||
| 197 | R | 46.8 | Very low | 37.9 | Very low | 230 Ų | 230 | 140.6 Ų | 140.6 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 144.7 | 153.6 | -92.2 | -175.4 | 176.3 | 167.1 | -3.4 | 109.6 | ||
| 198 | P | 38.3 | Very low | 38.1 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 131.8 | 148.6 | 33.8 | -25.8 | 0 | 0 | 0 | 111 | ||
| 199 | S | 34.2 | Very low | 38.1 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -77 | 147 | 149.1 | 56.9 | 0 | 0 | 0 | 0 | 107.4 | ||
| 200 | L | 43.3 | Very low | 37.9 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | S | Bend | 33 | 94.7 | 86.5 | -163 | 151.8 | 0 | 0 | 0 | 109.6 | |||
| 201 | D | 35.2 | Very low | 38.2 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | -159.9 | 125.3 | 52.9 | -178.5 | 34 | 0 | 0 | 0 | 111.2 | |||||
| 202 | E | 31.6 | Very low | 38.3 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -143.4 | 118.5 | 158.5 | -171 | 159.7 | -152.1 | 0 | 0 | 109 | ||||
| 203 | L | 40.6 | Very low | 38.2 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 58% | 0.576 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 162 | -167.1 | -71.8 | 113.7 | 0 | 0 | 0 | 113.7 | ||||
| 204 | H | 45.2 | Very low | 38.4 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 61.1 | 80.1 | 155.8 | -53 | 136.6 | 0 | 0 | 0 | 117.5 | ||||
| 205 | S | 40.6 | Very low | 38.5 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | 177.8 | 162.8 | 109.2 | 49 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 206 | N | 40.3 | Very low | 38.9 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 61.5 | 65.2 | 162.3 | -49.7 | -49.1 | 0 | 0 | 0 | 117.3 | I208 | N206-I208 PolarHBondContact O-N 3.13Š| ||
| 207 | S | 32.7 | Very low | 39.4 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -86.3 | 97.3 | 149.9 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 208 | I | 46.2 | Very low | 39.2 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -133.4 | 137.2 | 173.6 | -45.9 | 179.4 | 0 | 0 | 0 | 107 | N206 | N206-I208 PolarHBondContact O-N 3.13Š| ||
| 209 | L | 45.6 | Very low | 39.1 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 70.1 | 130.7 | -175.5 | -40 | 180 | 0 | 0 | 0 | 112.2 | ||||
| 210 | M | 34 | Very low | 39.3 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | cis | -139.7 | 125.6 | 22.8 | -70.9 | -103.2 | 66.1 | 0 | 0 | 112.8 | ||||
| 211 | S | 37.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -146.3 | 122.9 | 140.1 | 56.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 212 | A | 38.9 | Very low | 39 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -88.8 | 112.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 213 | S | 31.1 | Very low | 39.1 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -136.8 | 125 | 170.6 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | Y215 | S213-Y215 PolarHBondContact O-N 2.71Å; S213-Y215 VanDerWaalsContact O-N 3.09Å | ||
| 214 | P | 40.8 | Very low | 38.8 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -84.7 | 80.5 | -175.3 | 33.6 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 215 | Y | 38.6 | Very low | 38.2 | Very low | 221 Ų | 221 | 142.3 Ų | 142.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 176.8 | 153.6 | 148.8 | -90 | -56.7 | 0 | 0 | 0 | 109.5 | S213 | S213-Y215 PolarHBondContact O-N 2.71Å; S213-Y215 VanDerWaalsContact O-N 3.09Å |
| 216 | P | 44.3 | Very low | 37.8 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 141.8 | -166.7 | 31.8 | -35.4 | 0 | 0 | 0 | 114.1 | I218 | P216-I218 PolarHBondContact O-N 3.2Š| ||
| 217 | P | 41.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -76.9 | 121.3 | 173.1 | 30.8 | -33.2 | 0 | 0 | 0 | 111.4 | S219 | P217-S219 PolarHBondContact O-N 2.86Š| ||
| 218 | I | 43 | Very low | 37.9 | Very low | 169 Ų | 169 | 147 Ų | 147 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -84.3 | 98.4 | 177 | -57.4 | 175.3 | 0 | 0 | 0 | 109.5 | P216 | P216-I218 PolarHBondContact O-N 3.2Š| ||
| 219 | S | 37.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -153.2 | 73.3 | 170.7 | -162.8 | 0 | 0 | 0 | 0 | 112.9 | P217 | P217-S219 PolarHBondContact O-N 2.86Š| ||
| 220 | S | 37.7 | Very low | 36.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -160.3 | 42.7 | 175.6 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 221 | L | 33.6 | Very low | 37 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -117.8 | 68.3 | 164.7 | -76.2 | -178.4 | 0 | 0 | 0 | 112.6 | ||||
| 222 | H | 38.8 | Very low | 36.9 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -97.8 | 88.8 | 161.7 | 173.2 | -85.6 | 0 | 0 | 0 | 110.4 | ||||
| 223 | R | 34.2 | Very low | 36.8 | Very low | 209 Ų | 209 | 153.7 Ų | 153.7 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | trans | 177.1 | 148.8 | 155.7 | -106.9 | 175.1 | 158.6 | 129.1 | -1.3 | 109.3 | ||||
| 224 | E | 32.6 | Very low | 36.8 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | cis | -144 | 165.6 | -3.2 | -163.7 | 160.7 | 108.2 | 0 | 0 | 112.3 | G226 | E224-G226 PolarHBondContact O-N 2.94Å; E224-G226 VanDerWaalsContact O-N 3.14Å | ||
| 225 | R | 34.3 | Very low | 36.4 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -77.1 | 85 | -172.2 | -174.7 | -165.8 | -165 | 165.4 | 9.1 | 113.8 | R227 | R225-R227 PolarHBondContact O-N 2.99Å; R225-R227 VanDerWaalsContact O-N 3.09Å | ||
| 226 | G | 32.3 | Very low | 36 | Very low | 82 Ų | 82 | 151.1 Ų | 151.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -65.3 | 100.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E224 | E224-G226 PolarHBondContact O-N 2.94Å; E224-G226 VanDerWaalsContact O-N 3.14Å | ||
| 227 | R | 37.5 | Very low | 35.6 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 159.9 | 165.1 | -58 | -174.9 | -172.2 | -110.6 | 18.2 | 108.8 | R225 | R225-R227 PolarHBondContact O-N 2.99Å; R225-R227 VanDerWaalsContact O-N 3.09Å | ||
| 228 | R | 36 | Very low | 34.9 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | cis | -162.6 | 167.2 | 23.7 | -145.9 | 164.1 | -161.4 | 161.8 | 0.7 | 111.2 | ||||
| 229 | A | 31 | Very low | 34.3 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -53.6 | 147.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 230 | G | 38.8 | Very low | 33.9 | Very low | 77 Ų | 77 | 153.3 Ų | 153.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 158.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 231 | R | 37.2 | Very low | 33.3 | Very low | 247 Ų | 247 | 153.1 Ų | 153.1 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -140.5 | 147.3 | 162.8 | -76.1 | -170.6 | 173.8 | -108.4 | -2.1 | 109.5 | ||||
| 232 | R | 36.3 | Very low | 33.1 | Very low | 242 Ų | 242 | 152.5 Ų | 152.5 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -77.5 | 141.9 | 175.5 | -55.7 | 173.6 | -178.4 | 131.2 | -2.8 | 110.6 | ||||
| 233 | P | 37.1 | Very low | 32.6 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -68.2 | 163.3 | 150.4 | -16.9 | 32.7 | 0 | 0 | 0 | 111.2 | ||||
| 234 | A | 30.9 | Very low | 32.4 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -108 | 136.6 | -167 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 235 | V | 32 | Very low | 32.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 21.1 | 144.2 | 142.8 | -146.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 236 | H | 29.6 | Very low | 32 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | 82.3 | 99.1 | 162.2 | -65 | -65.4 | 0 | 0 | 0 | 119.7 | ||||
| 237 | K | 36.1 | Very low | 31.9 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | -166.5 | 113.8 | 105.3 | -94.3 | 174.3 | -177.6 | -177.1 | 0 | 106.8 | |||||
| 238 | S | 26.3 | Very low | 31.5 | Very low | 88 Ų | 88 | 141 Ų | 141 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | 73.9 | 124.2 | 73.9 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 239 | T | 30.9 | Very low | 31.2 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 60.7 | 148.9 | 163.2 | 44 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 240 | E | 27.8 | Very low | 31.1 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -169.7 | 153.1 | -14.6 | 171.8 | 174.4 | 145.8 | 0 | 0 | 111.5 | ||||
| 241 | N | 26.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 57% | 0.572 | 77% | 0.772 | S | S | * | * | trans | 51.3 | 135.1 | 158.6 | -82.3 | -48.4 | 0 | 0 | 0 | 124.1 | ||||
| 242 | Q | 29.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 65.1 | 154.5 | 133.2 | -67.3 | 173.2 | 52.2 | 0 | 0 | 120.6 | ||||
| 243 | A | 27.8 | Very low | 30.5 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | cis | -168.5 | 171.2 | -21.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 244 | A | 29 | Very low | 29.9 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | 66.2 | 168.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 245 | N | 26.5 | Very low | 30 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -170.7 | 169.3 | -38.8 | -170.8 | 2.3 | 0 | 0 | 0 | 107.7 | ||||
| 246 | L | 33.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 72.4 | 148.4 | 169.9 | -47.9 | 174.1 | 0 | 0 | 0 | 116.1 | ||||
| 247 | K | 30.4 | Very low | 29.9 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | cis | 117.5 | 116.7 | 0.7 | -174.1 | -177.7 | 175.4 | -175.9 | 0 | 114.5 | ||||
| 248 | G | 27.2 | Very low | 29.5 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | 153.8 | 131.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 249 | Q | 30.6 | Very low | 30.5 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | 62.1 | 144.8 | 68.8 | -74.9 | -173.8 | -50.2 | 0 | 0 | 113.7 | |||||
| 250 | T | 29.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | cis | -152 | -176.6 | 41.1 | -40.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 251 | E | 29.9 | Very low | 30.4 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -90.1 | 173.4 | -180 | -57.5 | 161.8 | 85.7 | 0 | 0 | 114.6 | ||||
| 252 | D | 28.7 | Very low | 30.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | -173.8 | -175.9 | 116.2 | -134.4 | -48.2 | 0 | 0 | 0 | 115 | |||||
| 253 | K | 39.8 | Very low | 30.5 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -136.8 | 164 | -165.7 | -59.5 | 167.4 | 177.8 | 166.6 | 0 | 116.2 | ||||
| 254 | S | 25.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -178.7 | 144.6 | 143.1 | -82.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 255 | V | 32.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | cis | 83 | 127.2 | 43.2 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 256 | E | 29 | Very low | 31.1 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -142.1 | -155.5 | 2.9 | -133.6 | 169.9 | 90.1 | 0 | 0 | 109.7 | ||||
| 257 | Q | 30.6 | Very low | 31.2 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | -159.8 | -159.7 | 8.2 | -148.6 | 158.5 | 55.9 | 0 | 0 | 112.2 | ||||
| 258 | S | 28.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -152.4 | 165.7 | 168.7 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 259 | P | 46.5 | Very low | 31.7 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | -160.7 | -171.3 | 71 | 44.7 | -21.9 | 0 | 0 | 0 | 118.2 | |||||
| 260 | E | 25.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | 56.3 | 168.4 | 154.2 | -73.7 | 168.5 | 98.5 | 0 | 0 | 121.6 | ||||
| 261 | A | 31.1 | Very low | 31.9 | Very low | 82 Ų | 82 | 134 Ų | 134 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | cis | -173 | -177.9 | -40 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 262 | T | 30.3 | Very low | 32.3 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -155.8 | 169.8 | 8.3 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 263 | S | 27.7 | Very low | 32.3 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | 56.9 | 155.6 | 151.8 | -117 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 264 | G | 29.9 | Very low | 31.9 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | cis | 164.8 | 163.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 265 | E | 31.7 | Very low | 32.4 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | 68.4 | 150.3 | 158.2 | -71.2 | 173.2 | 130.8 | 0 | 0 | 119.8 | ||||
| 266 | E | 33.9 | Very low | 32.2 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | cis | -164.6 | 164.6 | -9 | 55.7 | 172.2 | 142.1 | 0 | 0 | 114.7 | ||||
| 267 | K | 37.3 | Very low | 32.3 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | trans | 64.5 | 126.7 | 153 | -74.3 | -162.3 | -174.4 | 86 | 0 | 122.1 | ||||
| 268 | E | 34.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | 82.4 | 144.8 | 71.4 | -80.8 | -170.9 | 119.8 | 0 | 0 | 113.9 | |||||
| 269 | L | 33 | Very low | 32.5 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | cis | -159.9 | 155.1 | 17.2 | -118.7 | 155.2 | 0 | 0 | 0 | 111.1 | ||||
| 270 | E | 30.9 | Very low | 31.6 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | 34.8 | 160.3 | 146.2 | -85.3 | -178.5 | 167.3 | 0 | 0 | 123.4 | ||||
| 271 | A | 34 | Very low | 31.8 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | -173.1 | 171.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 272 | K | 37.3 | Very low | 31.7 | Very low | 197 Ų | 197 | 126.4 Ų | 126.4 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | cis | 177.1 | 115.7 | -20.8 | 171.5 | -158 | 169.9 | -171.5 | 0 | 111.1 | ||||
| 273 | G | 29.2 | Very low | 31.9 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 74.7 | 176.7 | 159 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 274 | D | 31 | Very low | 32 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | cis | -167.4 | 154.4 | -17.4 | -175.1 | 32.1 | 0 | 0 | 0 | 111.2 | ||||
| 275 | A | 35.3 | Very low | 32 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 54.5 | 157.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 276 | G | 30.2 | Very low | 31.9 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | cis | 162.6 | 156.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 277 | E | 30.6 | Very low | 31.7 | Very low | 198 Ų | 198 | 131 Ų | 131 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | 63.2 | 160.8 | 162.3 | -80 | -178.7 | 148.2 | 0 | 0 | 118.9 | ||||
| 278 | E | 33.6 | Very low | 31.3 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | -162.2 | 166 | -20.9 | -164.2 | -104.9 | 136.1 | 0 | 0 | 109.6 | ||||
| 279 | C | 29.1 | Very low | 31.3 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | 53.7 | 163.9 | 168.3 | -111.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 280 | G | 27.4 | Very low | 31.2 | Very low | 50 Ų | 50 | 131.7 Ų | 131.7 | 52% | 0.515 | 75% | 0.752 | S | S | . | * | cis | 165.3 | 166.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 281 | T | 29.1 | Very low | 31.3 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | trans | 69.8 | 160.4 | 172.3 | 83.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 282 | S | 29.4 | Very low | 31 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -173.7 | -177.6 | -32.4 | 64.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 283 | K | 34.2 | Very low | 30.9 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | cis | -171.3 | 143.8 | 1.7 | -143.3 | -176.8 | -177.9 | 178.9 | 0 | 112 | ||||
| 284 | T | 31 | Very low | 31.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | 60.6 | 153.3 | 144.7 | 37.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 285 | H | 29.3 | Very low | 31.1 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | cis | -166.4 | 155.8 | -1.8 | -145.9 | -154.4 | 0 | 0 | 0 | 115.6 | ||||
| 286 | H | 29.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | 62.9 | 165.6 | 145.9 | -87.1 | 4.9 | 0 | 0 | 0 | 125.4 | ||||
| 287 | Q | 28.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | -177.4 | 167.9 | -51.8 | -167.6 | 160.4 | 30.5 | 0 | 0 | 112.5 | |||||
| 288 | T | 28.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 91.3 | 134.7 | 164.4 | 70.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 289 | K | 35.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | cis | 111.2 | 146.2 | 0.7 | -157.5 | -174.9 | 179.6 | -162.3 | 0 | 116.5 | ||||
| 290 | T | 31.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 101.6 | 129.5 | 170.9 | 66.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 291 | D | 32.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | cis | 95.5 | 127.2 | 4.9 | -156.1 | 2.9 | 0 | 0 | 0 | 117.2 | ||||
| 292 | S | 27.7 | Very low | 30.3 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 179.1 | 156 | 167.7 | -81 | 0 | 0 | 0 | 0 | 115 | ||||
| 293 | E | 35.1 | Very low | 30.5 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -99.2 | -150.8 | -178.2 | -55.3 | -175.8 | 78.5 | 0 | 0 | 113.8 | ||||
| 294 | L | 35.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | cis | -168.5 | -179.1 | 14 | -135.7 | 166.8 | 0 | 0 | 0 | 111.7 | ||||
| 295 | A | 30.8 | Very low | 30 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 63% | 0.628 | 78% | 0.783 | S | S | * | * | trans | 105.1 | 99.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 296 | T | 28.6 | Very low | 30 | Very low | 138 Ų | 138 | 148 Ų | 148 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | 48 | 104.4 | 127.4 | 61 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 297 | G | 26.9 | Very low | 29.9 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | 65.5 | 133.5 | 110.1 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 298 | S | 29 | Very low | 29.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -165.5 | -169.5 | 149.4 | -160.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 299 | R | 30.7 | Very low | 30 | Very low | 221 Ų | 221 | 143.5 Ų | 143.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -121.8 | 162.8 | -163.8 | -64.1 | 174.7 | 169 | 162.9 | -5.7 | 116.2 | ||||
| 300 | K | 32.4 | Very low | 29.8 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | 80.1 | 119.3 | 141.6 | -90.4 | -177 | 176.3 | -170.9 | 0 | 121.5 | ||||
| 301 | S | 23.8 | Very low | 29.9 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 74.1 | 122.3 | 117.6 | -163.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 302 | Y | 26.1 | Very low | 29.5 | Very low | 231 Ų | 231 | 148.4 Ų | 148.4 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -133.3 | 138.3 | 144.9 | -121.2 | -92.9 | 0 | 0 | 0 | 108.9 | ||||
| 303 | K | 34 | Very low | 29.4 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | -162.1 | 111.1 | 178.7 | -173.3 | -156.5 | 177.7 | -162.7 | 0 | 111.2 | ||||
| 304 | E | 27.1 | Very low | 29 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -164.8 | 143.9 | 174.2 | -170 | 163.7 | -145.2 | 0 | 0 | 107.6 | ||||
| 305 | G | 27.1 | Very low | 28.6 | Very low | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | -155.6 | 118.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 306 | E | 29.2 | Very low | 28.5 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -1.2 | 122 | 143.5 | -175 | 172.3 | -177.1 | 0 | 0 | 121.3 | ||||
| 307 | A | 28.9 | Very low | 28.6 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -167.8 | 142.4 | 133.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 308 | G | 27 | Very low | 28.8 | Very low | 58 Ų | 58 | 148.2 Ų | 148.2 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | cis | 131.5 | 130.4 | -3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 309 | L | 32.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 70.5 | 146.7 | 176.2 | -63 | 105 | 0 | 0 | 0 | 116 | ||||
| 310 | R | 30.8 | Very low | 28.7 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -168.9 | 149.7 | -7.4 | 49.9 | -168.6 | -174 | -138.4 | 4.3 | 112.9 | ||||
| 311 | K | 32.7 | Very low | 28.7 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 21.3 | 145 | 139.4 | -61.8 | 179 | 170.6 | 178.7 | 0 | 120 | ||||
| 312 | T | 24.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | cis | -153.3 | 167.4 | 26.8 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 313 | C | 26.1 | Very low | 29 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 161.7 | -178.7 | -31 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 314 | A | 26.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -170.9 | 142.8 | 119.5 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 315 | A | 27.4 | Very low | 29.2 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 65.6 | 102 | 149.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 316 | A | 28 | Very low | 29.2 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | 94.1 | 138.1 | 118.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 317 | Q | 31 | Very low | 29.3 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | 66.4 | 141 | 165.4 | -65.1 | -163.2 | -57.9 | 0 | 0 | 117.8 | ||||
| 318 | D | 31 | Very low | 29.4 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | cis | -156.3 | 172.1 | -14.7 | -133.2 | -49.4 | 0 | 0 | 0 | 110.3 | ||||
| 319 | G | 29.9 | Very low | 29.6 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | 94.8 | 113.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 320 | C | 27.6 | Very low | 29.6 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | trans | -92 | 170.3 | 161.5 | -126.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 321 | S | 32.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | cis | -161.6 | 147 | 8.3 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 322 | D | 25.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -146.7 | 151.5 | 152.3 | -163.5 | 4.2 | 0 | 0 | 0 | 109.5 | ||||
| 323 | M | 29.6 | Very low | 30.8 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 80% | 0.803 | 81% | 0.807 | S | S | * | * | trans | -137.6 | 107.2 | -169.4 | -110.6 | -91 | 80.6 | 0 | 0 | 111.6 | ||||
| 324 | T | 31.3 | Very low | 31.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -92.2 | 165.5 | 171.7 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | N | 34.9 | Very low | 31.9 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -53.6 | 145.2 | -169.1 | -56.4 | -60.7 | 0 | 0 | 0 | 115.5 | ||||
| 326 | G | 27.3 | Very low | 32.3 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -144.5 | 144.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 327 | A | 30.2 | Very low | 32.2 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -127.6 | 156.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 328 | S | 32.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -162.5 | 176 | 158.1 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 329 | N | 31.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -111.4 | 170.5 | -150.4 | -90 | 2.8 | 0 | 0 | 0 | 116.8 | ||||
| 330 | D | 32.9 | Very low | 32.2 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 82% | 0.817 | S | S | * | * | trans | 77.6 | 97.4 | 146.6 | -76 | -51.7 | 0 | 0 | 0 | 121.7 | ||||
| 331 | K | 36.3 | Very low | 32.4 | Very low | 181 Ų | 181 | 139 Ų | 139 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | trans | 16.2 | 126.5 | 130.7 | -62.5 | 168.2 | 179.2 | 168.3 | 0 | 119.2 | ||||
| 332 | E | 29.2 | Very low | 32.3 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | -145.8 | 159.2 | 106.9 | -123.8 | 177.3 | -174.8 | 0 | 0 | 111.4 | |||||
| 333 | I | 47.5 | Very low | 32.5 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -146.7 | 131.1 | -163 | -81.2 | 178.4 | 0 | 0 | 0 | 107.1 | ||||
| 334 | P | 44.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | -149 | 149.4 | 83.3 | 37.5 | -18.5 | 0 | 0 | 0 | 117.7 | |||||
| 335 | G | 30.1 | Very low | 32.8 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -175.7 | 73.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 336 | Q | 36.3 | Very low | 32.7 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | 72 | 151.9 | 165.5 | -54.8 | -176.7 | 3.9 | 0 | 0 | 118.5 | ||||
| 337 | C | 26.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -120.8 | 147.3 | -173.6 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 338 | S | 31.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | -169.4 | 150.3 | 110.6 | -163.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 339 | A | 31.7 | Very low | 33.5 | Very low | 85 Ų | 85 | 148.7 Ų | 148.7 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -102.6 | 147.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 340 | F | 28.3 | Very low | 33.6 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -161.7 | 144.8 | 131.7 | -128.9 | -104.8 | 0 | 0 | 0 | 109.9 | ||||
| 341 | Q | 31.6 | Very low | 33.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -81.9 | -166.4 | 161 | -68.5 | -172.7 | -4.6 | 0 | 0 | 109.3 | ||||
| 342 | E | 29.9 | Very low | 33.3 | Very low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | 64.4 | 105.2 | 150.9 | -171.1 | -159.5 | -120 | 0 | 0 | 116.9 | ||||
| 343 | K | 30.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 65% | 0.648 | 81% | 0.807 | S | S | * | * | -167.7 | 139.7 | 120.1 | -110.7 | 108.5 | -114.4 | 141.2 | 0 | 110.7 | |||||
| 344 | F | 31.5 | Very low | 33 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 148.4 | 165.6 | -78.4 | -112.2 | 0 | 0 | 0 | 109.8 | ||||
| 345 | I | 33.8 | Very low | 32.3 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | trans | -110.4 | 126.3 | 166.7 | -64.6 | 179.1 | 0 | 0 | 0 | 108.8 | ||||
| 346 | Y | 33.8 | Very low | 32.6 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -126.9 | 135.1 | 179 | -161.5 | -78.5 | 0 | 0 | 0 | 108.2 | ||||
| 347 | P | 37.9 | Very low | 33 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -117.3 | 117.9 | 168 | 33.8 | -22.2 | 0 | 0 | 0 | 111.7 | ||||
| 348 | S | 32.4 | Very low | 33.4 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -157.4 | 112.7 | 163.1 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 349 | T | 37 | Very low | 33.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | 172.5 | 125.6 | 154.8 | 19.5 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 350 | G | 32.7 | Very low | 34 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | cis | 103.4 | 122.2 | 33 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 351 | G | 31.4 | Very low | 34.6 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | cis | 170.5 | 156.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 352 | A | 30.5 | Very low | 34.8 | Very low | 107 Ų | 107 | 139 Ų | 139 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -151.2 | 152.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 353 | L | 34.4 | Very low | 35.6 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -83.8 | 151.1 | -169.1 | -53.5 | 167.3 | 0 | 0 | 0 | 113 | ||||
| 354 | T | 35.7 | Very low | 35.6 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | 179.7 | 144.7 | 113.4 | 36 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 355 | G | 30.3 | Very low | 36.1 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 78.2 | 93.2 | 141.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 356 | M | 37.5 | Very low | 36 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -90.8 | 150.3 | 148.3 | -71.7 | -67.3 | -71.3 | 0 | 0 | 109.2 | ||||
| 357 | P | 43.2 | Very low | 36.5 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | -143.2 | 128.9 | 105.4 | 35.5 | -21 | 0 | 0 | 0 | 115.8 | |||||
| 358 | Y | 35.2 | Very low | 36.5 | Very low | 188 Ų | 188 | 131 Ų | 131 | 74% | 0.737 | 82% | 0.816 | S | S | * | * | trans | 38.3 | 99.3 | 131.6 | -154 | -87 | 0 | 0 | 0 | 120.1 | ||||
| 359 | V | 35.6 | Very low | 36.8 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -147.1 | 140.2 | 147.1 | -121.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 360 | F | 40.1 | Very low | 36.9 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 77% | 0.768 | 82% | 0.822 | S | S | * | * | trans | -90.5 | 144.4 | 170.6 | -103.3 | -95.1 | 0 | 0 | 0 | 110.7 | ||||
| 361 | P | 41.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -114.2 | 141.3 | 146.9 | -1.1 | 22.2 | 0 | 0 | 0 | 112.2 | ||||
| 362 | V | 36.8 | Very low | 37.6 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 146.9 | 167.7 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | G364 | V362-G364 PolarHBondContact O-N 2.85Š| ||
| 363 | P | 46.3 | Very low | 38.3 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -60.8 | 133.8 | -179.6 | 24.2 | -36 | 0 | 0 | 0 | 112.9 | ||||
| 364 | G | 31.2 | Very low | 38.3 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -144.5 | 144.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V362 G366 | V362-G364 PolarHBondContact O-N 2.85Å; G364-G366 PolarHBondContact O-N 2.91Å | ||
| 365 | N | 41.5 | Very low | 38.9 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -62.1 | 131.3 | -175.5 | -67.6 | 1.7 | 0 | 0 | 0 | 111.7 | ||||
| 366 | G | 32.4 | Very low | 39.6 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -156 | 121 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G364 | G364-G366 PolarHBondContact O-N 2.91Š| ||
| 367 | F | 44.1 | Very low | 40.1 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -75.9 | 130.5 | 178.1 | -77.3 | -110.2 | 0 | 0 | 0 | 111 | ||||
| 368 | L | 37.3 | Very low | 39.9 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -142.5 | 148.8 | 155 | -77.1 | -177.5 | 0 | 0 | 0 | 109.6 | ||||
| 369 | P | 39.3 | Very low | 39.8 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 138.7 | -172.5 | 32.1 | -35 | 0 | 0 | 0 | 112.9 | ||
| 370 | T | 37.7 | Very low | 40.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 131.2 | 174.7 | -39 | 0 | 0 | 0 | 0 | 110.8 | ||
| 371 | G | 37 | Very low | 40.5 | Very low | 52 Ų | 52 | 135.4 Ų | 135.4 | 54% | 0.536 | 80% | 0.796 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 165.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P373 | G371-P373 WeakPolarHBondContact O-CD 3.22Š|
| 372 | P | 42 | Very low | 40.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 118.6 | -166.6 | 27.6 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 373 | P | 44.6 | Very low | 41.9 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 149.1 | 156.6 | 34.1 | -32.4 | 0 | 0 | 0 | 109.6 | G371 | G371-P373 WeakPolarHBondContact O-CD 3.22Š|
| 374 | N | 34.4 | Very low | 42.7 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65 | 147.7 | -174.9 | -69.1 | -82.5 | 0 | 0 | 0 | 113.4 | F376 | N374-F376 PolarHBondContact O-N 3.49Š|
| 375 | L | 49.7 | Very low | 45.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -9.9 | 109.5 | 148.8 | -58 | 168.5 | 0 | 0 | 0 | 114.9 | ||||
| 376 | F | 44.5 | Very low | 47.5 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 89% | 0.886 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -177.7 | 135.4 | 132.8 | -89.1 | -58.2 | 0 | 0 | 0 | 108.8 | N374 | N374-F376 PolarHBondContact O-N 3.49Š|
| 377 | L | 47.8 | Very low | 50.3 | Low | 179 Ų | 179 | 128 Ų | 128 | 94% | 0.937 | 70% | 0.698 | S | S | * | * | trans | 54.8 | 67.3 | 174.8 | -56.5 | 174.6 | 0 | 0 | 0 | 115.2 | ||||
| 378 | N | 38.3 | Very low | 52.7 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 92% | 0.92 | 69% | 0.688 | S | S | * | * | trans | -98.4 | 143.5 | 152.1 | -171.1 | 23.9 | 0 | 0 | 0 | 109.2 | ||||
| 379 | G | 34.8 | Very low | 55.5 | Low | 60 Ų | 60 | 118.9 Ų | 118.9 | 62% | 0.619 | 65% | 0.651 | S | S | * | * | trans | 143.2 | 83.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110 | E381 | G379-E381 PolarHBondContact O-N 2.95Š| ||
| 380 | E | 43.6 | Very low | 58.2 | Low | 189 Ų | 189 | 116.5 Ų | 116.5 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -72.9 | 61.8 | 164.3 | -166.7 | -170.8 | 163.9 | 0 | 0 | 109.2 | V382 | E380-V382 PolarHBondContact O-N 3.42Å; E380-V382 VanDerWaalsContact O-N 3.13Å | ||
| 381 | E | 46 | Very low | 61.1 | Low | 106 Ų | 106 | 111.5 Ų | 111.5 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | trans | -75.4 | 100 | 171.6 | -163.6 | 171.1 | -109.1 | 0 | 0 | 106.2 | G379 R450 | G379-E381 PolarHBondContact O-N 2.95Å; E381-R450 IonicContact OE2-CZ 2.7Å; E381-R450 IonicContact OE2-NH1 2.86Å; E381-R450 PolarHBondContact OE2-NH1 3.16Å; E381-R450 IonicContact OE2-NH2 3.69Å; E381-R450 PolarHBondContact OE2-NH2 3.37Å | ||
| 382 | V | 49.4 | Very low | 64 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 67% | 0.667 | 60% | 0.595 | S | S | * | * | trans | -40.5 | 128.3 | 165.5 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | E380 E384 | E380-V382 PolarHBondContact O-N 3.42Å; E380-V382 VanDerWaalsContact O-N 3.13Å; V382-E384 VanDerWaalsContact C-N 3.32Å; V382-E384 PolarHBondContact O-N 3.12Å | ||
| 383 | P | 57.4 | Low | 66.6 | Low | 90 Ų | 90 | 109 Ų | 109 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | trans | -60.8 | 99 | -173.8 | 23.6 | -33.6 | 0 | 0 | 0 | 109.1 | D385 | P383-D385 PolarHBondContact O-N 3.41Š| ||
| 384 | E | 63.3 | Low | 69.1 | Low | 102 Ų | 102 | 103.6 Ų | 103.6 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | trans | -58 | 125.8 | 178.9 | -66 | -169 | 146.9 | 0 | 0 | 107.5 | V382 I386 W389 | V382-E384 VanDerWaalsContact C-N 3.32Å; V382-E384 PolarHBondContact O-N 3.12Å; E384-I386 PolarHBondContact O-N 2.73Å; E384-W389 PolarHBondContact OE2-NE1 2.82Å | ||
| 385 | D | 83.8 | Confident | 72.1 | Confident | 71 Ų | 71 | 99.4 Ų | 99.4 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | trans | -59.2 | 102.5 | 179 | 177 | 10.3 | 0 | 0 | 0 | 108.1 | P383 R387 K388 | P383-D385 PolarHBondContact O-N 3.41Å; D385-R387 PolarHBondContact O-N 3.37Å; D385-R387 WeakPolarHBondContact OD1-CB 3.49Å; D385-K388 HydrophobicContact CB-CD 4.06Å; D385-K388 HydrophobicContact CB-CG 4.36Å; D385-K388 WeakPolarHBondContact O-CB 3.41Å; D385-K388 PolarHBondContact O-N 3.29Å; D385-K388 WeakPolarHBondContact OD2-CE 3.49Å; D385-K388 IonicContact OD2-NZ 3.41Å; D385-K388 PolarHBondContact OD2-NZ 3.26Å | ||
| 386 | I | 90.3 | Very high | 74.4 | Confident | 3 Ų | 3 | 95.9 Ų | 95.9 | 2% | 0.015 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -48.7 | -34.7 | -170.5 | -56.4 | -178.7 | 0 | 0 | 0 | 110.4 | E384 K388 W389 G418 L421 P422 V447 R450 M451 | E384-I386 PolarHBondContact O-N 2.73Å; I386-K388 PolarHBondContact O-N 3.48Å; I386-W389 HydrophobicContact CG2-CD2 4.25Å; I386-W389 HydrophobicContact CG2-CE3 3.78Å; I386-W389 HydrophobicContact CG2-CZ3 4.13Å; I386-W389 VanDerWaalsContact O-CB 3.28Å; I386-W389 WeakPolarHBondContact O-CB 3.41Å; I386-W389 PolarHBondContact O-N 3.4Å; I386-G418 CarbonylContact C-O 3.5Å; I386-G418 CarbonylContact O-C 3.54Å; I386-G418 WeakPolarHBondContact O-CA 3.3Å; I386-L421 HydrophobicContact CG2-CD2 4.17Å; I386-P422 HydrophobicContact CG2-CG 4.23Å; I386-V447 HydrophobicContact CD1-CG1 4.23Å; I386-R450 HydrophobicContact CD1-CB 3.48Å; I386-R450 VanDerWaalsContact CD1-CB 3.48Å; I386-R450 HydrophobicContact CG1-CB 3.98Å; I386-M451 HydrophobicContact CD1-CB 4.4Å; I386-M451 HydrophobicContact CD1-CE 3.92Å; I386-M451 HydrophobicContact CD1-SD 3.85Å |
| 387 | R | 91.4 | Very high | 76.9 | Confident | 161 Ų | 161 | 87.1 Ų | 87.1 | 61% | 0.608 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -53.8 | -20.6 | 178.3 | -60.5 | 175.2 | 177.6 | -162.8 | -3.4 | 114.5 | D385 G418 E419 | D385-R387 PolarHBondContact O-N 3.37Å; D385-R387 WeakPolarHBondContact OD1-CB 3.49Å; R387-G418 WeakPolarHBondContact CA-O 2.95Å; R387-G418 PolarHBondContact N-O 3.47Å; R387-E419 HydrophobicContact CB-CG 4.38Å; R387-E419 WeakPolarHBondContact O-CG 3.49Å |
| 388 | K | 93.4 | Very high | 79.3 | Confident | 160 Ų | 160 | 78.6 Ų | 78.6 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -94.4 | -8.3 | 179.8 | -59.7 | 174.7 | -173.3 | 153.4 | 0 | 113.6 | D385 I386 | D385-K388 HydrophobicContact CB-CD 4.06Å; D385-K388 HydrophobicContact CB-CG 4.36Å; D385-K388 WeakPolarHBondContact O-CB 3.41Å; D385-K388 PolarHBondContact O-N 3.29Å; D385-K388 WeakPolarHBondContact OD2-CE 3.49Å; D385-K388 IonicContact OD2-NZ 3.41Å; D385-K388 PolarHBondContact OD2-NZ 3.26Å; I386-K388 PolarHBondContact O-N 3.48Å |
| 389 | W | 95.9 | Very high | 82.1 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | trans | -67 | 132.2 | 177.4 | -73 | -6.6 | 0 | 0 | 0 | 110.9 | E384 I386 D393 V394 F397 G418 L421 R450 | E384-W389 PolarHBondContact OE2-NE1 2.82Å; I386-W389 HydrophobicContact CG2-CD2 4.25Å; I386-W389 HydrophobicContact CG2-CE3 3.78Å; I386-W389 HydrophobicContact CG2-CZ3 4.13Å; I386-W389 VanDerWaalsContact O-CB 3.28Å; I386-W389 WeakPolarHBondContact O-CB 3.41Å; I386-W389 PolarHBondContact O-N 3.4Å; W389-D393 HydrophobicContact CB-CB 3.91Å; W389-D393 HydrophobicContact CG-CB 4.08Å; W389-V394 HydrophobicContact CB-CG2 4.28Å; W389-V394 HydrophobicContact CE3-CG2 4.44Å; W389-F397 HydrophobicContact CE3-CB 4.45Å; W389-F397 HydrophobicContact CH2-CB 4.21Å; W389-F397 HydrophobicContact CH2-CD1 4.46Å; W389-F397 AromaticContact CH2-CD2 3.62Å; W389-F397 HydrophobicContact CH2-CD2 3.62Å; W389-F397 HydrophobicContact CH2-CE2 4.02Å; W389-F397 AromaticContact CH2-CG 3.85Å; W389-F397 HydrophobicContact CH2-CG 3.85Å; W389-F397 HydrophobicContact CZ3-CB 3.84Å; W389-F397 AromaticContact CZ3-CD1 3.78Å; W389-F397 HydrophobicContact CZ3-CD1 3.78Å; W389-F397 AromaticContact CZ3-CD2 3.79Å; W389-F397 HydrophobicContact CZ3-CD2 3.79Å; W389-F397 HydrophobicContact CZ3-CE1 4.23Å; W389-F397 HydrophobicContact CZ3-CE2 4.23Å; W389-F397 AromaticContact CZ3-CG 3.53Å; W389-F397 HydrophobicContact CZ3-CG 3.53Å; W389-F397 HydrophobicContact CZ3-CZ 4.42Å; W389-G418 WeakPolarHBondContact O-CA 3.45Å; W389-G418 PolarHBondContact O-N 3.36Å; W389-L421 HydrophobicContact CE3-CD2 4.16Å; W389-L421 HydrophobicContact CZ3-CD2 4.12Å; W389-R450 HydrophobicContact CH2-CG 4.18Å | ||
| 390 | T | 97.3 | Very high | 85 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | trans | -75 | 167.8 | 169.9 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | N392 D393 V394 | T390-N392 PolarHBondContact O-N 3.29Å; T390-N392 VanDerWaalsContact O-N 3.07Å; T390-N392 PolarHBondContact OG1-N 2.93Å; T390-D393 VanDerWaalsContact CB-OD2 3.28Å; T390-D393 WeakPolarHBondContact CB-OD2 3.31Å; T390-D393 WeakPolarHBondContact CG2-OD2 3.45Å; T390-D393 PolarHBondContact N-OD2 2.94Å; T390-D393 PolarHBondContact O-N 3.42Å; T390-D393 VanDerWaalsContact OG1-CG 3.29Å; T390-D393 PolarHBondContact OG1-N 3.05Å; T390-D393 PolarHBondContact OG1-OD2 3.35Å; T390-V394 PolarHBondContact O-N 3.44Å | ||
| 391 | V | 97.9 | Very high | 87.4 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 21% | 0.212 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -51.4 | -31.1 | 169.6 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | Y395 K412 M415 I416 D417 | V391-Y395 WeakPolarHBondContact O-CB 3.33Å; V391-Y395 PolarHBondContact O-N 2.6Å; V391-K412 HydrophobicContact CG1-CB 4.24Å; V391-K412 HydrophobicContact CG1-CG 4.08Å; V391-M415 HydrophobicContact CG2-CB 4.48Å; V391-I416 WeakPolarHBondContact CA-O 3.44Å; V391-D417 HydrophobicContact CG2-CB 3.98Å |
| 392 | N | 97.9 | Very high | 89.6 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.8 | -31.1 | 178.1 | -162.2 | 77.9 | 0 | 0 | 0 | 112.7 | T390 Y395 N396 K412 | T390-N392 PolarHBondContact O-N 3.29Å; T390-N392 VanDerWaalsContact O-N 3.07Å; T390-N392 PolarHBondContact OG1-N 2.93Å; N392-Y395 WeakPolarHBondContact O-CB 3.3Å; N392-Y395 PolarHBondContact O-N 3.41Å; N392-N396 PolarHBondContact ND2-ND2 2.95Å; N392-N396 WeakPolarHBondContact O-CB 3.33Å; N392-N396 PolarHBondContact O-N 3Å; N392-N396 PolarHBondContact O-ND2 3.27Å; N392-K412 PolarHBondContact OD1-NZ 3.28Å |
| 393 | D | 97.1 | Very high | 91.6 | Very high | 61 Ų | 61 | 63.7 Ų | 63.7 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76.7 | -36.2 | 177 | -50.1 | -49.2 | 0 | 0 | 0 | 110.6 | W389 T390 N396 F397 | W389-D393 HydrophobicContact CB-CB 3.91Å; W389-D393 HydrophobicContact CG-CB 4.08Å; T390-D393 VanDerWaalsContact CB-OD2 3.28Å; T390-D393 WeakPolarHBondContact CB-OD2 3.31Å; T390-D393 WeakPolarHBondContact CG2-OD2 3.45Å; T390-D393 PolarHBondContact N-OD2 2.94Å; T390-D393 PolarHBondContact O-N 3.42Å; T390-D393 VanDerWaalsContact OG1-CG 3.29Å; T390-D393 PolarHBondContact OG1-N 3.05Å; T390-D393 PolarHBondContact OG1-OD2 3.35Å; D393-N396 PolarHBondContact O-N 3.42Å; D393-F397 VanDerWaalsContact O-CB 3.31Å; D393-F397 WeakPolarHBondContact O-CB 3.31Å; D393-F397 PolarHBondContact O-N 3.18Å |
| 394 | V | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 165.9 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | W389 T390 N396 F397 I398 F411 I416 L421 | W389-V394 HydrophobicContact CB-CG2 4.28Å; W389-V394 HydrophobicContact CE3-CG2 4.44Å; T390-V394 PolarHBondContact O-N 3.44Å; V394-N396 VanDerWaalsContact C-N 3.33Å; V394-N396 PolarHBondContact O-N 3.27Å; V394-F397 PolarHBondContact O-N 3.01Å; V394-I398 HydrophobicContact CG1-CG1 4.24Å; V394-I398 WeakPolarHBondContact O-CG1 3.46Å; V394-I398 PolarHBondContact O-N 3.44Å; V394-F411 HydrophobicContact CG1-CB 4.33Å; V394-F411 HydrophobicContact CG1-CD1 3.9Å; V394-I416 WeakPolarHBondContact CB-O 3.38Å; V394-I416 HydrophobicContact CG1-CG2 4.33Å; V394-I416 WeakPolarHBondContact CG2-O 3.43Å; V394-L421 HydrophobicContact CG1-CD1 4.37Å; V394-L421 HydrophobicContact CG1-CD2 4.1Å; V394-L421 HydrophobicContact CG2-CB 4.42Å; V394-L421 HydrophobicContact CG2-CD2 4.04Å |
| 395 | Y | 97.9 | Very high | 95 | Very high | 67 Ų | 67 | 58 Ų | 58 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.6 | -45.9 | 174.4 | 174.3 | -83.2 | 0 | 0 | 0 | 112.1 | V391 N392 S399 A408 Q409 K412 | V391-Y395 WeakPolarHBondContact O-CB 3.33Å; V391-Y395 PolarHBondContact O-N 2.6Å; N392-Y395 WeakPolarHBondContact O-CB 3.3Å; N392-Y395 PolarHBondContact O-N 3.41Å; Y395-S399 VanDerWaalsContact O-CB 3.25Å; Y395-S399 WeakPolarHBondContact O-CB 3.44Å; Y395-S399 PolarHBondContact O-N 3.05Å; Y395-S399 PolarHBondContact O-OG 2.9Å; Y395-A408 VanDerWaalsContact CD2-C 3.47Å; Y395-A408 HydrophobicContact CD2-CB 3.87Å; Y395-A408 VanDerWaalsContact CD2-O 3.23Å; Y395-A408 WeakPolarHBondContact CD2-O 3.29Å; Y395-A408 HydrophobicContact CE2-CB 3.9Å; Y395-A408 HydrophobicContact CG-CB 4.35Å; Y395-Q409 HydrophobicContact CE2-CB 4.33Å; Y395-K412 HydrophobicContact CD2-CB 3.81Å; Y395-K412 HydrophobicContact CD2-CD 3.61Å; Y395-K412 HydrophobicContact CD2-CG 4.38Å; Y395-K412 HydrophobicContact CE2-CD 4.22Å; Y395-K412 HydrophobicContact CG-CD 3.96Å |
| 396 | N | 97.6 | Very high | 95.5 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 43% | 0.428 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.9 | -69.2 | -26.4 | 0 | 0 | 0 | 111.6 | N392 D393 V394 S399 S400 | N392-N396 PolarHBondContact ND2-ND2 2.95Å; N392-N396 WeakPolarHBondContact O-CB 3.33Å; N392-N396 PolarHBondContact O-N 3Å; N392-N396 PolarHBondContact O-ND2 3.27Å; D393-N396 PolarHBondContact O-N 3.42Å; V394-N396 VanDerWaalsContact C-N 3.33Å; V394-N396 PolarHBondContact O-N 3.27Å; N396-S399 WeakPolarHBondContact O-CB 3.48Å; N396-S399 PolarHBondContact O-N 3.44Å; N396-S400 PolarHBondContact O-N 3.01Å |
| 397 | F | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 176 | 167.7 | -107.1 | 0 | 0 | 0 | 111.9 | W389 D393 V394 S399 S400 I401 L421 Q446 V447 R450 | W389-F397 HydrophobicContact CE3-CB 4.45Å; W389-F397 HydrophobicContact CH2-CB 4.21Å; W389-F397 HydrophobicContact CH2-CD1 4.46Å; W389-F397 AromaticContact CH2-CD2 3.62Å; W389-F397 HydrophobicContact CH2-CD2 3.62Å; W389-F397 HydrophobicContact CH2-CE2 4.02Å; W389-F397 AromaticContact CH2-CG 3.85Å; W389-F397 HydrophobicContact CH2-CG 3.85Å; W389-F397 HydrophobicContact CZ3-CB 3.84Å; W389-F397 AromaticContact CZ3-CD1 3.78Å; W389-F397 HydrophobicContact CZ3-CD1 3.78Å; W389-F397 AromaticContact CZ3-CD2 3.79Å; W389-F397 HydrophobicContact CZ3-CD2 3.79Å; W389-F397 HydrophobicContact CZ3-CE1 4.23Å; W389-F397 HydrophobicContact CZ3-CE2 4.23Å; W389-F397 AromaticContact CZ3-CG 3.53Å; W389-F397 HydrophobicContact CZ3-CG 3.53Å; W389-F397 HydrophobicContact CZ3-CZ 4.42Å; D393-F397 VanDerWaalsContact O-CB 3.31Å; D393-F397 WeakPolarHBondContact O-CB 3.31Å; D393-F397 PolarHBondContact O-N 3.18Å; V394-F397 PolarHBondContact O-N 3.01Å; F397-S399 VanDerWaalsContact C-N 3.3Å; F397-S399 PolarHBondContact O-N 3.48Å; F397-S400 WeakPolarHBondContact O-CB 3.24Å; F397-S400 PolarHBondContact O-N 3.49Å; F397-S400 VanDerWaalsContact O-N 3.11Å; F397-S400 PolarHBondContact O-OG 3.45Å; F397-I401 HydrophobicContact CD1-CD1 4.43Å; F397-I401 HydrophobicContact CE1-CD1 3.97Å; F397-I401 HydrophobicContact CE2-CD1 4.28Å; F397-I401 HydrophobicContact CZ-CD1 3.91Å; F397-I401 PolarHBondContact O-N 2.99Å; F397-L421 HydrophobicContact CD1-CD2 4.07Å; F397-L421 HydrophobicContact CE1-CD2 4.06Å; F397-Q446 HydrophobicContact CE2-CB 4.15Å; F397-Q446 HydrophobicContact CZ-CB 3.69Å; F397-V447 HydrophobicContact CE1-CG2 3.71Å; F397-V447 HydrophobicContact CZ-CG2 4.01Å; F397-R450 HydrophobicContact CE2-CG 4.23Å |
| 398 | I | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.3 | -58.8 | -61.7 | 0 | 0 | 0 | 110.9 | V394 S400 I401 C404 A408 F411 I443 | V394-I398 HydrophobicContact CG1-CG1 4.24Å; V394-I398 WeakPolarHBondContact O-CG1 3.46Å; V394-I398 PolarHBondContact O-N 3.44Å; I398-S400 VanDerWaalsContact C-N 3.29Å; I398-S400 PolarHBondContact O-N 3.34Å; I398-I401 HydrophobicContact CD1-CD1 4.39Å; I398-I401 PolarHBondContact O-N 2.91Å; I398-C404 HydrophobicContact CG2-CB 4.44Å; I398-A408 HydrophobicContact CB-CB 4.08Å; I398-A408 HydrophobicContact CG2-CB 3.95Å; I398-F411 HydrophobicContact CD1-CD1 4.25Å; I398-F411 HydrophobicContact CD1-CE1 3.97Å; I398-F411 HydrophobicContact CD1-CE2 4.39Å; I398-F411 HydrophobicContact CD1-CZ 4.04Å; I398-F411 HydrophobicContact CG1-CD1 3.99Å; I398-F411 HydrophobicContact CG1-CD2 4.25Å; I398-F411 HydrophobicContact CG1-CE1 4.22Å; I398-F411 HydrophobicContact CG1-CE2 4.45Å; I398-F411 HydrophobicContact CG1-CG 4.01Å; I398-F411 HydrophobicContact CG1-CZ 4.44Å; I398-F411 HydrophobicContact CG2-CD2 4.36Å; I398-I443 HydrophobicContact CD1-CB 4.36Å; I398-I443 HydrophobicContact CD1-CD1 3.93Å; I398-I443 HydrophobicContact CD1-CG1 3.82Å; I398-I443 HydrophobicContact CD1-CG2 3.61Å; I398-I443 HydrophobicContact CG2-CD1 4.29Å |
| 399 | S | 97.1 | Very high | 96.3 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -34.1 | 173.7 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | Y395 N396 F397 I401 A408 | Y395-S399 VanDerWaalsContact O-CB 3.25Å; Y395-S399 WeakPolarHBondContact O-CB 3.44Å; Y395-S399 PolarHBondContact O-N 3.05Å; Y395-S399 PolarHBondContact O-OG 2.9Å; N396-S399 WeakPolarHBondContact O-CB 3.48Å; N396-S399 PolarHBondContact O-N 3.44Å; F397-S399 VanDerWaalsContact C-N 3.3Å; F397-S399 PolarHBondContact O-N 3.48Å; S399-I401 VanDerWaalsContact C-N 3.32Å; S399-I401 PolarHBondContact O-N 2.92Å; S399-A408 WeakPolarHBondContact OG-CB 3.38Å |
| 400 | S | 96.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -72.6 | -20 | 178.5 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | N396 F397 I398 P402 | N396-S400 PolarHBondContact O-N 3.01Å; F397-S400 WeakPolarHBondContact O-CB 3.24Å; F397-S400 PolarHBondContact O-N 3.49Å; F397-S400 VanDerWaalsContact O-N 3.11Å; F397-S400 PolarHBondContact O-OG 3.45Å; I398-S400 VanDerWaalsContact C-N 3.29Å; I398-S400 PolarHBondContact O-N 3.34Å; S400-P402 WeakPolarHBondContact O-CD 3.47Å |
| 401 | I | 95.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -80.4 | 121.7 | -175.2 | -63 | 168.5 | 0 | 0 | 0 | 109.8 | F397 I398 S399 T403 C404 K442 I443 Q446 | F397-I401 HydrophobicContact CD1-CD1 4.43Å; F397-I401 HydrophobicContact CE1-CD1 3.97Å; F397-I401 HydrophobicContact CE2-CD1 4.28Å; F397-I401 HydrophobicContact CZ-CD1 3.91Å; F397-I401 PolarHBondContact O-N 2.99Å; I398-I401 HydrophobicContact CD1-CD1 4.39Å; I398-I401 PolarHBondContact O-N 2.91Å; S399-I401 VanDerWaalsContact C-N 3.32Å; S399-I401 PolarHBondContact O-N 2.92Å; I401-T403 PolarHBondContact O-N 3.17Å; I401-C404 HydrophobicContact CB-CB 3.91Å; I401-C404 HydrophobicContact CG2-CB 3.87Å; I401-C404 VanDerWaalsContact CG2-SG 3.54Å; I401-C404 PolarHBondContact O-N 2.94Å; I401-K442 HydrophobicContact CG2-CB 4.41Å; I401-I443 HydrophobicContact CD1-CG1 4.02Å; I401-Q446 HydrophobicContact CD1-CB 4.01Å; I401-Q446 HydrophobicContact CD1-CG 4Å; I401-Q446 HydrophobicContact CG1-CG 4.23Å |
| 402 | P | 92.3 | Very high | 96.4 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 63% | 0.63 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128 | -178.8 | -27.1 | 35.9 | 0 | 0 | 0 | 112.9 | S400 C404 K442 | S400-P402 WeakPolarHBondContact O-CD 3.47Å; P402-C404 VanDerWaalsContact C-N 3.34Å; P402-K442 PolarHBondContact O-NZ 2.9Å |
| 403 | T | 91.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 58% | 0.577 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 22.7 | -172.8 | 93.5 | 0 | 0 | 0 | 0 | 115.8 | I401 K442 | I401-T403 PolarHBondContact O-N 3.17Å; T403-K442 PolarHBondContact OG1-NZ 3.5Å |
| 404 | C | 95.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -6.7 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 114.4 | I398 I401 P402 E406 Y407 I443 | I398-C404 HydrophobicContact CG2-CB 4.44Å; I401-C404 HydrophobicContact CB-CB 3.91Å; I401-C404 HydrophobicContact CG2-CB 3.87Å; I401-C404 VanDerWaalsContact CG2-SG 3.54Å; I401-C404 PolarHBondContact O-N 2.94Å; P402-C404 VanDerWaalsContact C-N 3.34Å; C404-E406 PolarHBondContact O-N 3.38Å; C404-Y407 PolarHBondContact O-N 3.4Å; C404-I443 HydrophobicContact CB-CD1 4.24Å; C404-I443 HydrophobicContact CB-CG1 4.42Å |
| 405 | S | 95.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 58.1 Ų | 58.1 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -60.4 | -27.5 | -178.7 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | Y407 A408 | S405-Y407 PolarHBondContact O-N 2.91Å; S405-A408 WeakPolarHBondContact O-CB 3.29Å; S405-A408 PolarHBondContact O-N 3.13Å; S405-A408 VanDerWaalsContact O-N 3.15Å |
| 406 | E | 95.9 | Very high | 96.4 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -60.4 | -26.3 | 173.7 | 66 | -176.1 | -179.5 | 0 | 0 | 113.2 | C404 | C404-E406 PolarHBondContact O-N 3.38Š|
| 407 | Y | 96.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -93.5 | -8.7 | 178.3 | -51.3 | -78.7 | 0 | 0 | 0 | 113.5 | C404 S405 Q409 T410 F411 L435 P439 | C404-Y407 PolarHBondContact O-N 3.4Å; S405-Y407 PolarHBondContact O-N 2.91Å; Y407-Q409 VanDerWaalsContact C-N 3.26Å; Y407-Q409 PolarHBondContact O-N 3.38Å; Y407-T410 VanDerWaalsContact O-CB 3.31Å; Y407-T410 WeakPolarHBondContact O-CB 3.5Å; Y407-T410 PolarHBondContact O-N 3.41Å; Y407-F411 WeakPolarHBondContact O-CD2 3.32Å; Y407-F411 PolarHBondContact O-N 2.86Å; Y407-L435 HydrophobicContact CD1-CB 4.46Å; Y407-L435 HydrophobicContact CD1-CD1 3.53Å; Y407-L435 HydrophobicContact CD1-CG 3.55Å; Y407-L435 HydrophobicContact CD2-CG 4.18Å; Y407-L435 HydrophobicContact CE1-CB 4.42Å; Y407-L435 HydrophobicContact CE1-CD1 4.27Å; Y407-L435 HydrophobicContact CE1-CG 3.95Å; Y407-L435 HydrophobicContact CG-CD1 3.85Å; Y407-L435 HydrophobicContact CG-CD2 4.34Å; Y407-L435 HydrophobicContact CG-CG 3.69Å; Y407-P439 HydrophobicContact CD2-CB 4.02Å; Y407-P439 HydrophobicContact CD2-CG 4.47Å; Y407-P439 HydrophobicContact CE2-CB 3.61Å; Y407-P439 HydrophobicContact CE2-CG 3.59Å |
| 408 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y395 I398 S399 S405 T410 F411 K412 | Y395-A408 VanDerWaalsContact CD2-C 3.47Å; Y395-A408 HydrophobicContact CD2-CB 3.87Å; Y395-A408 VanDerWaalsContact CD2-O 3.23Å; Y395-A408 WeakPolarHBondContact CD2-O 3.29Å; Y395-A408 HydrophobicContact CE2-CB 3.9Å; Y395-A408 HydrophobicContact CG-CB 4.35Å; I398-A408 HydrophobicContact CB-CB 4.08Å; I398-A408 HydrophobicContact CG2-CB 3.95Å; S399-A408 WeakPolarHBondContact OG-CB 3.38Å; S405-A408 WeakPolarHBondContact O-CB 3.29Å; S405-A408 PolarHBondContact O-N 3.13Å; S405-A408 VanDerWaalsContact O-N 3.15Å; A408-T410 VanDerWaalsContact C-N 3.34Å; A408-T410 PolarHBondContact O-N 2.88Å; A408-F411 PolarHBondContact O-N 3.11Å; A408-K412 PolarHBondContact O-N 3.39Å |
| 409 | Q | 97.6 | Very high | 96.2 | Very high | 83 Ų | 83 | 59.2 Ų | 59.2 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.4 | -170 | 59 | 42.9 | 0 | 0 | 111.7 | Y395 Y407 F411 K412 D413 | Y395-Q409 HydrophobicContact CE2-CB 4.33Å; Y407-Q409 VanDerWaalsContact C-N 3.26Å; Y407-Q409 PolarHBondContact O-N 3.38Å; Q409-F411 VanDerWaalsContact C-N 3.33Å; Q409-F411 PolarHBondContact O-N 3.36Å; Q409-K412 CarbonylContact O-C 3.43Å; Q409-K412 WeakPolarHBondContact O-CA 3.46Å; Q409-K412 WeakPolarHBondContact O-CB 3.45Å; Q409-K412 PolarHBondContact O-N 3.18Å; Q409-D413 PolarHBondContact NE2-OD1 2.93Å; Q409-D413 PolarHBondContact O-N 2.98Å |
| 410 | T | 97.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 60 Ų | 60 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 175.8 | -42.4 | 0 | 0 | 0 | 0 | 112.3 | Y407 A408 K412 D413 H414 L433 | Y407-T410 VanDerWaalsContact O-CB 3.31Å; Y407-T410 WeakPolarHBondContact O-CB 3.5Å; Y407-T410 PolarHBondContact O-N 3.41Å; A408-T410 VanDerWaalsContact C-N 3.34Å; A408-T410 PolarHBondContact O-N 2.88Å; T410-K412 VanDerWaalsContact C-N 3.28Å; T410-K412 PolarHBondContact O-N 3.43Å; T410-D413 PolarHBondContact O-N 3.44Å; T410-H414 WeakPolarHBondContact O-CB 3.13Å; T410-H414 PolarHBondContact O-CD2 3.27Å; T410-H414 VanDerWaalsContact O-CD2 3.22Å; T410-H414 PolarHBondContact O-N 3.15Å; T410-L433 HydrophobicContact CG2-CB 4.3Å; T410-L433 HydrophobicContact CG2-CD2 4.21Å |
| 411 | F | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 174.4 | -81.6 | -111.7 | 0 | 0 | 0 | 111.9 | V394 I398 Y407 A408 Q409 M415 I416 L421 L424 L429 L433 L435 I443 | V394-F411 HydrophobicContact CG1-CB 4.33Å; V394-F411 HydrophobicContact CG1-CD1 3.9Å; I398-F411 HydrophobicContact CD1-CD1 4.25Å; I398-F411 HydrophobicContact CD1-CE1 3.97Å; I398-F411 HydrophobicContact CD1-CE2 4.39Å; I398-F411 HydrophobicContact CD1-CZ 4.04Å; I398-F411 HydrophobicContact CG1-CD1 3.99Å; I398-F411 HydrophobicContact CG1-CD2 4.25Å; I398-F411 HydrophobicContact CG1-CE1 4.22Å; I398-F411 HydrophobicContact CG1-CE2 4.45Å; I398-F411 HydrophobicContact CG1-CG 4.01Å; I398-F411 HydrophobicContact CG1-CZ 4.44Å; I398-F411 HydrophobicContact CG2-CD2 4.36Å; Y407-F411 WeakPolarHBondContact O-CD2 3.32Å; Y407-F411 PolarHBondContact O-N 2.86Å; A408-F411 PolarHBondContact O-N 3.11Å; Q409-F411 VanDerWaalsContact C-N 3.33Å; Q409-F411 PolarHBondContact O-N 3.36Å; F411-M415 PolarHBondContact O-N 2.58Å; F411-I416 HydrophobicContact CB-CB 4.42Å; F411-I416 HydrophobicContact CB-CD1 4.44Å; F411-I416 HydrophobicContact CD1-CB 4.09Å; F411-I416 HydrophobicContact CD1-CD1 3.75Å; F411-I416 HydrophobicContact CD1-CG1 4.48Å; F411-I416 HydrophobicContact CD1-CG2 3.93Å; F411-I416 HydrophobicContact CE1-CD1 4.2Å; F411-I416 HydrophobicContact CE1-CG2 4.49Å; F411-I416 HydrophobicContact CG-CD1 4.13Å; F411-I416 WeakPolarHBondContact O-CB 3.4Å; F411-I416 PolarHBondContact O-N 3.1Å; F411-L421 HydrophobicContact CD1-CD1 4.25Å; F411-L421 HydrophobicContact CE1-CD1 3.73Å; F411-L424 HydrophobicContact CE1-CD1 3.78Å; F411-L424 HydrophobicContact CZ-CD1 4.45Å; F411-L429 HydrophobicContact CE1-CD2 4.4Å; F411-L429 HydrophobicContact CZ-CD2 3.82Å; F411-L433 HydrophobicContact CD2-CD1 4.29Å; F411-L433 HydrophobicContact CE1-CD1 4.23Å; F411-L433 HydrophobicContact CE2-CD1 3.91Å; F411-L433 HydrophobicContact CZ-CD1 3.88Å; F411-L435 HydrophobicContact CE2-CD1 4.21Å; F411-L435 HydrophobicContact CE2-CD2 4.12Å; F411-L435 HydrophobicContact CZ-CD2 4.47Å; F411-I443 HydrophobicContact CE2-CD1 4.17Å; F411-I443 HydrophobicContact CZ-CD1 4.11Å; F411-I443 HydrophobicContact CZ-CG2 4.19Å |
| 412 | K | 97.6 | Very high | 96.2 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75.1 | -38.5 | 177.9 | -176 | 163.5 | -177.1 | 165.9 | 0 | 113.1 | V391 N392 Y395 A408 Q409 T410 H414 M415 | V391-K412 HydrophobicContact CG1-CB 4.24Å; V391-K412 HydrophobicContact CG1-CG 4.08Å; N392-K412 PolarHBondContact OD1-NZ 3.28Å; Y395-K412 HydrophobicContact CD2-CB 3.81Å; Y395-K412 HydrophobicContact CD2-CD 3.61Å; Y395-K412 HydrophobicContact CD2-CG 4.38Å; Y395-K412 HydrophobicContact CE2-CD 4.22Å; Y395-K412 HydrophobicContact CG-CD 3.96Å; A408-K412 PolarHBondContact O-N 3.39Å; Q409-K412 CarbonylContact O-C 3.43Å; Q409-K412 WeakPolarHBondContact O-CA 3.46Å; Q409-K412 WeakPolarHBondContact O-CB 3.45Å; Q409-K412 PolarHBondContact O-N 3.18Å; T410-K412 VanDerWaalsContact C-N 3.28Å; T410-K412 PolarHBondContact O-N 3.43Å; K412-H414 VanDerWaalsContact C-N 3.34Å; K412-M415 WeakPolarHBondContact O-CE 3.45Å; K412-M415 PolarHBondContact O-N 2.85Å; K412-M415 VanDerWaalsContact O-N 3.09Å |
| 413 | D | 97.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 176.1 | -63.3 | -23.6 | 0 | 0 | 0 | 111.4 | Q409 T410 M415 | Q409-D413 PolarHBondContact NE2-OD1 2.93Å; Q409-D413 PolarHBondContact O-N 2.98Å; T410-D413 PolarHBondContact O-N 3.44Å; D413-M415 PolarHBondContact O-N 2.88Å |
| 414 | H | 97.3 | Very high | 96.5 | Very high | 96 Ų | 96 | 56.2 Ų | 56.2 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 6.1 | 171.9 | -75.9 | -112 | 0 | 0 | 0 | 113.9 | T410 K412 I416 L433 | T410-H414 WeakPolarHBondContact O-CB 3.13Å; T410-H414 PolarHBondContact O-CD2 3.27Å; T410-H414 VanDerWaalsContact O-CD2 3.22Å; T410-H414 PolarHBondContact O-N 3.15Å; K412-H414 VanDerWaalsContact C-N 3.34Å; H414-I416 HydrophobicContact CB-CD1 4.08Å; H414-I416 HydrophobicContact CB-CG1 3.91Å; H414-I416 PolarHBondContact O-N 3.06Å; H414-L433 HydrophobicContact CB-CD2 3.89Å; H414-L433 VanDerWaalsContact CG-CD2 3.41Å; H414-L433 WeakPolarHBondContact ND1-CD2 3.49Å |
| 415 | M | 97 | Very high | 96.5 | Very high | 130 Ų | 130 | 57.9 Ų | 57.9 | 64% | 0.64 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 35.8 | 178.7 | -58.6 | -66.5 | 154 | 0 | 0 | 114.3 | V391 F411 K412 D413 D417 | V391-M415 HydrophobicContact CG2-CB 4.48Å; F411-M415 PolarHBondContact O-N 2.58Å; K412-M415 WeakPolarHBondContact O-CE 3.45Å; K412-M415 PolarHBondContact O-N 2.85Å; K412-M415 VanDerWaalsContact O-N 3.09Å; D413-M415 PolarHBondContact O-N 2.88Å; M415-D417 PolarHBondContact O-N 3.33Å |
| 416 | I | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | trans | -75.8 | 112.1 | -177.6 | -58.3 | -179.9 | 0 | 0 | 0 | 109.5 | V391 V394 F411 H414 T420 L421 L424 L433 | V391-I416 WeakPolarHBondContact CA-O 3.44Å; V394-I416 WeakPolarHBondContact CB-O 3.38Å; V394-I416 HydrophobicContact CG1-CG2 4.33Å; V394-I416 WeakPolarHBondContact CG2-O 3.43Å; F411-I416 HydrophobicContact CB-CB 4.42Å; F411-I416 HydrophobicContact CB-CD1 4.44Å; F411-I416 HydrophobicContact CD1-CB 4.09Å; F411-I416 HydrophobicContact CD1-CD1 3.75Å; F411-I416 HydrophobicContact CD1-CG1 4.48Å; F411-I416 HydrophobicContact CD1-CG2 3.93Å; F411-I416 HydrophobicContact CE1-CD1 4.2Å; F411-I416 HydrophobicContact CE1-CG2 4.49Å; F411-I416 HydrophobicContact CG-CD1 4.13Å; F411-I416 WeakPolarHBondContact O-CB 3.4Å; F411-I416 PolarHBondContact O-N 3.1Å; H414-I416 HydrophobicContact CB-CD1 4.08Å; H414-I416 HydrophobicContact CB-CG1 3.91Å; H414-I416 PolarHBondContact O-N 3.06Å; I416-T420 HydrophobicContact CG2-CG2 4.22Å; I416-L421 HydrophobicContact CG2-CB 4.06Å; I416-L424 HydrophobicContact CD1-CD1 4Å; I416-L424 HydrophobicContact CG2-CD1 4.06Å; I416-L433 HydrophobicContact CD1-CD1 3.54Å; I416-L433 HydrophobicContact CD1-CD2 3.92Å; I416-L433 HydrophobicContact CD1-CG 4.35Å | ||
| 417 | D | 97.1 | Very high | 96.5 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | trans | -99.5 | -175.7 | 176.8 | 64.3 | 10.9 | 0 | 0 | 0 | 112.6 | V391 M415 E419 T420 L421 | V391-D417 HydrophobicContact CG2-CB 3.98Å; M415-D417 PolarHBondContact O-N 3.33Å; D417-E419 VanDerWaalsContact C-N 3.32Å; D417-E419 PolarHBondContact O-N 3.12Å; D417-E419 PolarHBondContact OD1-N 3.44Å; D417-T420 PolarHBondContact O-N 3.38Å; D417-T420 WeakPolarHBondContact OD1-CB 3.36Å; D417-T420 PolarHBondContact OD1-N 3.07Å; D417-T420 PolarHBondContact OD1-OG1 3.44Å; D417-L421 VanDerWaalsContact O-CB 3.22Å; D417-L421 WeakPolarHBondContact O-CB 3.39Å; D417-L421 PolarHBondContact O-N 2.81Å | ||
| 418 | G | 95.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I386 R387 W389 P422 | I386-G418 CarbonylContact C-O 3.5Å; I386-G418 CarbonylContact O-C 3.54Å; I386-G418 WeakPolarHBondContact O-CA 3.3Å; R387-G418 WeakPolarHBondContact CA-O 2.95Å; R387-G418 PolarHBondContact N-O 3.47Å; W389-G418 WeakPolarHBondContact O-CA 3.45Å; W389-G418 PolarHBondContact O-N 3.36Å; G418-P422 WeakPolarHBondContact O-CD 3.17Å; G418-P422 VanDerWaalsContact O-CG 3.24Å; G418-P422 WeakPolarHBondContact O-CG 3.43Å |
| 419 | E | 95.1 | Very high | 96.6 | Very high | 129 Ų | 129 | 59.6 Ų | 59.6 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -35.7 | 174.6 | -59.8 | -158.2 | 140.2 | 0 | 0 | 111.2 | R387 D417 P422 | R387-E419 HydrophobicContact CB-CG 4.38Å; R387-E419 WeakPolarHBondContact O-CG 3.49Å; D417-E419 VanDerWaalsContact C-N 3.32Å; D417-E419 PolarHBondContact O-N 3.12Å; D417-E419 PolarHBondContact OD1-N 3.44Å; E419-P422 WeakPolarHBondContact O-CD 3.39Å |
| 420 | T | 96.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -41.2 | -178.4 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | I416 D417 L423 L424 | I416-T420 HydrophobicContact CG2-CG2 4.22Å; D417-T420 PolarHBondContact O-N 3.38Å; D417-T420 WeakPolarHBondContact OD1-CB 3.36Å; D417-T420 PolarHBondContact OD1-N 3.07Å; D417-T420 PolarHBondContact OD1-OG1 3.44Å; T420-L423 WeakPolarHBondContact O-CA 3.26Å; T420-L423 WeakPolarHBondContact O-CB 3.37Å; T420-L423 PolarHBondContact O-N 3.46Å; T420-L424 HydrophobicContact CG2-CD2 4.34Å |
| 421 | L | 96.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -52.6 | -41.5 | -178.7 | 176.2 | 67.3 | 0 | 0 | 0 | 114.1 | I386 W389 V394 F397 F411 I416 D417 L423 L424 V447 | I386-L421 HydrophobicContact CG2-CD2 4.17Å; W389-L421 HydrophobicContact CE3-CD2 4.16Å; W389-L421 HydrophobicContact CZ3-CD2 4.12Å; V394-L421 HydrophobicContact CG1-CD1 4.37Å; V394-L421 HydrophobicContact CG1-CD2 4.1Å; V394-L421 HydrophobicContact CG2-CB 4.42Å; V394-L421 HydrophobicContact CG2-CD2 4.04Å; F397-L421 HydrophobicContact CD1-CD2 4.07Å; F397-L421 HydrophobicContact CE1-CD2 4.06Å; F411-L421 HydrophobicContact CD1-CD1 4.25Å; F411-L421 HydrophobicContact CE1-CD1 3.73Å; I416-L421 HydrophobicContact CG2-CB 4.06Å; D417-L421 VanDerWaalsContact O-CB 3.22Å; D417-L421 WeakPolarHBondContact O-CB 3.39Å; D417-L421 PolarHBondContact O-N 2.81Å; L421-L423 PolarHBondContact O-N 3.2Å; L421-L424 HydrophobicContact CD1-CD1 4.13Å; L421-V447 HydrophobicContact CD1-CG2 3.85Å; L421-V447 HydrophobicContact CD2-CG2 3.89Å; L421-V447 HydrophobicContact CG-CG1 4.44Å; L421-V447 HydrophobicContact CG-CG2 3.77Å |
| 422 | P | 94.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 67 Ų | 67 | 26% | 0.26 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -57.3 | -26.8 | 170.2 | -29 | 35.6 | 0 | 0 | 0 | 116.2 | I386 G418 E419 M451 | I386-P422 HydrophobicContact CG2-CG 4.23Å; G418-P422 WeakPolarHBondContact O-CD 3.17Å; G418-P422 VanDerWaalsContact O-CG 3.24Å; G418-P422 WeakPolarHBondContact O-CG 3.43Å; E419-P422 WeakPolarHBondContact O-CD 3.39Å; P422-M451 HydrophobicContact CB-CE 3.53Å; P422-M451 HydrophobicContact CB-SD 4.28Å; P422-M451 HydrophobicContact CG-CE 3.8Å; P422-M451 HydrophobicContact CG-SD 4.23Å |
| 423 | L | 94.7 | Very high | 96.3 | Very high | 131 Ų | 131 | 64.4 Ų | 64.4 | 69% | 0.686 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -95.9 | -2.5 | -169.1 | -54.5 | 177.2 | 0 | 0 | 0 | 113 | T420 L421 S425 | T420-L423 WeakPolarHBondContact O-CA 3.26Å; T420-L423 WeakPolarHBondContact O-CB 3.37Å; T420-L423 PolarHBondContact O-N 3.46Å; L421-L423 PolarHBondContact O-N 3.2Å; L423-S425 PolarHBondContact O-N 2.96Å |
| 424 | L | 95.9 | Very high | 96.2 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | trans | -74.1 | 108 | 179.2 | -57.6 | 177.8 | 0 | 0 | 0 | 111 | F411 I416 T420 L421 H428 L429 L433 | F411-L424 HydrophobicContact CE1-CD1 3.78Å; F411-L424 HydrophobicContact CZ-CD1 4.45Å; I416-L424 HydrophobicContact CD1-CD1 4Å; I416-L424 HydrophobicContact CG2-CD1 4.06Å; T420-L424 HydrophobicContact CG2-CD2 4.34Å; L421-L424 HydrophobicContact CD1-CD1 4.13Å; L424-H428 HydrophobicContact CD2-CB 4.2Å; L424-L429 HydrophobicContact CB-CD2 3.96Å; L424-L429 HydrophobicContact CB-CG 4.42Å; L424-L429 HydrophobicContact CD1-CD2 3.7Å; L424-L429 HydrophobicContact CG-CD2 4.42Å; L424-L433 HydrophobicContact CD1-CD1 4.44Å | ||
| 425 | S | 95.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 58 Ų | 58 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | trans | -69.8 | 169.4 | 164.8 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | L423 E427 H428 L429 | L423-S425 PolarHBondContact O-N 2.96Å; S425-E427 VanDerWaalsContact C-N 3.33Å; S425-E427 WeakPolarHBondContact CB-OE1 3.44Å; S425-E427 PolarHBondContact O-N 3.48Å; S425-E427 WeakPolarHBondContact OG-CG 3.5Å; S425-E427 PolarHBondContact OG-OE1 2.93Å; S425-H428 PolarHBondContact O-N 2.85Å; S425-H428 PolarHBondContact OG-CE1 2.7Å; S425-H428 PolarHBondContact OG-ND1 3.4Å; S425-L429 PolarHBondContact O-N 3.36Å | ||
| 426 | E | 95.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | -177.9 | -169 | 153.5 | 111.1 | 0 | 0 | 112.2 | H428 L429 L430 L437 L441 R444 | E426-H428 VanDerWaalsContact C-N 3.32Å; E426-H428 PolarHBondContact O-N 2.87Å; E426-L429 PolarHBondContact O-N 3.43Å; E426-L429 VanDerWaalsContact O-N 3.15Å; E426-L430 HydrophobicContact CG-CD1 3.99Å; E426-L430 HydrophobicContact CG-CG 4.3Å; E426-L430 WeakPolarHBondContact O-CG 3.43Å; E426-L430 PolarHBondContact O-N 3.46Å; E426-L437 HydrophobicContact CG-CD1 4.43Å; E426-L441 WeakPolarHBondContact OE2-CD2 3.19Å; E426-R444 IonicContact OE2-CZ 3.77Å; E426-R444 IonicContact OE2-NH1 3.64Å; E426-R444 PolarHBondContact OE2-NH1 2.78Å |
| 427 | E | 96.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 62.5 Ų | 62.5 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 174.8 | 73.7 | -137.2 | 128.7 | 0 | 0 | 112.4 | S425 L429 L430 D431 | S425-E427 VanDerWaalsContact C-N 3.33Å; S425-E427 WeakPolarHBondContact CB-OE1 3.44Å; S425-E427 PolarHBondContact O-N 3.48Å; S425-E427 WeakPolarHBondContact OG-CG 3.5Å; S425-E427 PolarHBondContact OG-OE1 2.93Å; E427-L429 VanDerWaalsContact C-N 3.34Å; E427-L429 PolarHBondContact O-N 2.92Å; E427-L430 PolarHBondContact O-N 2.86Å; E427-D431 WeakPolarHBondContact O-CB 3.42Å; E427-D431 PolarHBondContact O-N 3.28Å |
| 428 | H | 97.6 | Very high | 96.1 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | I | π-helix | trans | -64.9 | -39.5 | 175.9 | -62.8 | 164.7 | 0 | 0 | 0 | 111.3 | L424 S425 E426 T432 L433 | L424-H428 HydrophobicContact CD2-CB 4.2Å; S425-H428 PolarHBondContact O-N 2.85Å; S425-H428 PolarHBondContact OG-CE1 2.7Å; S425-H428 PolarHBondContact OG-ND1 3.4Å; E426-H428 VanDerWaalsContact C-N 3.32Å; E426-H428 PolarHBondContact O-N 2.87Å; H428-T432 VanDerWaalsContact O-CB 3.28Å; H428-T432 WeakPolarHBondContact O-CB 3.49Å; H428-T432 PolarHBondContact O-N 2.92Å; H428-L433 PolarHBondContact O-N 3.24Å |
| 429 | L | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -69.7 | -42.8 | 177.4 | -59.6 | -172.7 | 0 | 0 | 0 | 112 | F411 L424 S425 E426 E427 L433 G434 L435 A440 R444 | F411-L429 HydrophobicContact CE1-CD2 4.4Å; F411-L429 HydrophobicContact CZ-CD2 3.82Å; L424-L429 HydrophobicContact CB-CD2 3.96Å; L424-L429 HydrophobicContact CB-CG 4.42Å; L424-L429 HydrophobicContact CD1-CD2 3.7Å; L424-L429 HydrophobicContact CG-CD2 4.42Å; S425-L429 PolarHBondContact O-N 3.36Å; E426-L429 PolarHBondContact O-N 3.43Å; E426-L429 VanDerWaalsContact O-N 3.15Å; E427-L429 VanDerWaalsContact C-N 3.34Å; E427-L429 PolarHBondContact O-N 2.92Å; L429-L433 HydrophobicContact CD2-CD1 3.78Å; L429-G434 PolarHBondContact O-N 2.9Å; L429-L435 HydrophobicContact CB-CD2 4.43Å; L429-L435 WeakPolarHBondContact O-CB 3.26Å; L429-L435 PolarHBondContact O-N 2.83Å; L429-A440 HydrophobicContact CB-CB 3.8Å; L429-A440 HydrophobicContact CD1-CB 3.93Å; L429-R444 HydrophobicContact CD1-CG 3.54Å |
| 430 | L | 97.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -74.1 | -56.2 | -178.1 | -64.1 | 178.1 | 0 | 0 | 0 | 112.2 | E426 E427 G434 L435 L437 A440 | E426-L430 HydrophobicContact CG-CD1 3.99Å; E426-L430 HydrophobicContact CG-CG 4.3Å; E426-L430 WeakPolarHBondContact O-CG 3.43Å; E426-L430 PolarHBondContact O-N 3.46Å; E427-L430 PolarHBondContact O-N 2.86Å; L430-G434 WeakPolarHBondContact O-CA 3.43Å; L430-G434 PolarHBondContact O-N 2.78Å; L430-L435 WeakPolarHBondContact CD2-O 3.39Å; L430-L437 HydrophobicContact CD1-CD1 4.38Å; L430-L437 HydrophobicContact CD2-CB 4.3Å; L430-L437 HydrophobicContact CD2-CD1 4.4Å; L430-A440 HydrophobicContact CD2-CB 4.12Å |
| 431 | D | 96.7 | Very high | 96.3 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 72% | 0.722 | 32% | 0.324 | S | S | * | . | I | π-helix | trans | -91.9 | -32.7 | -165.3 | -58 | -33.5 | 0 | 0 | 0 | 112.8 | E427 | E427-D431 WeakPolarHBondContact O-CB 3.42Å; E427-D431 PolarHBondContact O-N 3.28Å |
| 432 | T | 95.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -92.7 | -38.7 | -178.6 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | H428 | H428-T432 VanDerWaalsContact O-CB 3.28Å; H428-T432 WeakPolarHBondContact O-CB 3.49Å; H428-T432 PolarHBondContact O-N 2.92Å |
| 433 | L | 95.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -100.9 | -5.1 | 179.7 | -56.6 | 179.5 | 0 | 0 | 0 | 113.8 | T410 F411 H414 I416 L424 H428 L429 L435 | T410-L433 HydrophobicContact CG2-CB 4.3Å; T410-L433 HydrophobicContact CG2-CD2 4.21Å; F411-L433 HydrophobicContact CD2-CD1 4.29Å; F411-L433 HydrophobicContact CE1-CD1 4.23Å; F411-L433 HydrophobicContact CE2-CD1 3.91Å; F411-L433 HydrophobicContact CZ-CD1 3.88Å; H414-L433 HydrophobicContact CB-CD2 3.89Å; H414-L433 VanDerWaalsContact CG-CD2 3.41Å; H414-L433 WeakPolarHBondContact ND1-CD2 3.49Å; I416-L433 HydrophobicContact CD1-CD1 3.54Å; I416-L433 HydrophobicContact CD1-CD2 3.92Å; I416-L433 HydrophobicContact CD1-CG 4.35Å; L424-L433 HydrophobicContact CD1-CD1 4.44Å; H428-L433 PolarHBondContact O-N 3.24Å; L429-L433 HydrophobicContact CD2-CD1 3.78Å; L433-L435 VanDerWaalsContact C-N 3.29Å; L433-L435 HydrophobicContact CB-CD1 3.6Å; L433-L435 WeakPolarHBondContact O-CD1 3.41Å; L433-L435 PolarHBondContact O-N 2.98Å |
| 434 | G | 95.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | trans | 69.9 | 18.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L429 L430 | L429-G434 PolarHBondContact O-N 2.9Å; L430-G434 WeakPolarHBondContact O-CA 3.43Å; L430-G434 PolarHBondContact O-N 2.78Å | ||
| 435 | L | 97 | Very high | 96.3 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | trans | -70.7 | 147.8 | 178.6 | -82.9 | 63.9 | 0 | 0 | 0 | 110.8 | Y407 F411 L429 L430 L433 P439 A440 I443 | Y407-L435 HydrophobicContact CD1-CB 4.46Å; Y407-L435 HydrophobicContact CD1-CD1 3.53Å; Y407-L435 HydrophobicContact CD1-CG 3.55Å; Y407-L435 HydrophobicContact CD2-CG 4.18Å; Y407-L435 HydrophobicContact CE1-CB 4.42Å; Y407-L435 HydrophobicContact CE1-CD1 4.27Å; Y407-L435 HydrophobicContact CE1-CG 3.95Å; Y407-L435 HydrophobicContact CG-CD1 3.85Å; Y407-L435 HydrophobicContact CG-CD2 4.34Å; Y407-L435 HydrophobicContact CG-CG 3.69Å; F411-L435 HydrophobicContact CE2-CD1 4.21Å; F411-L435 HydrophobicContact CE2-CD2 4.12Å; F411-L435 HydrophobicContact CZ-CD2 4.47Å; L429-L435 HydrophobicContact CB-CD2 4.43Å; L429-L435 WeakPolarHBondContact O-CB 3.26Å; L429-L435 PolarHBondContact O-N 2.83Å; L430-L435 WeakPolarHBondContact CD2-O 3.39Å; L433-L435 VanDerWaalsContact C-N 3.29Å; L433-L435 HydrophobicContact CB-CD1 3.6Å; L433-L435 WeakPolarHBondContact O-CD1 3.41Å; L433-L435 PolarHBondContact O-N 2.98Å; L435-P439 HydrophobicContact CD2-CB 4.3Å; L435-P439 HydrophobicContact CG-CB 4.47Å; L435-A440 HydrophobicContact CB-CB 4.23Å; L435-A440 HydrophobicContact CD2-CB 4.44Å; L435-I443 HydrophobicContact CD2-CD1 3.5Å | ||
| 436 | K | 97.3 | Very high | 96.2 | Very high | 140 Ų | 140 | 61.1 Ų | 61.1 | 61% | 0.609 | 33% | 0.33 | S | S | * | . | trans | -73.6 | 152.5 | 163.7 | -66.2 | 158.5 | -169.8 | 152.4 | 0 | 109.6 | G438 P439 A440 | K436-G438 VanDerWaalsContact C-N 3.26Å; K436-G438 PolarHBondContact O-N 3.24Å; K436-G438 VanDerWaalsContact O-N 3.14Å; K436-P439 HydrophobicContact CB-CG 4.36Å; K436-P439 WeakPolarHBondContact O-CD 3.5Å; K436-A440 PolarHBondContact O-N 3.48Å | ||
| 437 | L | 96.8 | Very high | 96.1 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.1 | -38 | -178 | -174.9 | 63.6 | 0 | 0 | 0 | 113.9 | E426 L430 A440 L441 | E426-L437 HydrophobicContact CG-CD1 4.43Å; L430-L437 HydrophobicContact CD1-CD1 4.38Å; L430-L437 HydrophobicContact CD2-CB 4.3Å; L430-L437 HydrophobicContact CD2-CD1 4.4Å; L437-A440 PolarHBondContact O-N 2.86Å; L437-L441 HydrophobicContact CD1-CD1 3.95Å; L437-L441 HydrophobicContact CD1-CG 3.98Å; L437-L441 HydrophobicContact CD2-CD1 4.47Å; L437-L441 HydrophobicContact CG-CD1 3.8Å; L437-L441 HydrophobicContact CG-CG 4.26Å; L437-L441 WeakPolarHBondContact O-CB 3.32Å; L437-L441 VanDerWaalsContact O-CG 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.31Å; L437-L441 PolarHBondContact O-N 2.89Å |
| 438 | G | 96.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.3 | -61.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K436 A440 L441 K442 | K436-G438 VanDerWaalsContact C-N 3.26Å; K436-G438 PolarHBondContact O-N 3.24Å; K436-G438 VanDerWaalsContact O-N 3.14Å; G438-A440 VanDerWaalsContact C-N 3.33Å; G438-A440 PolarHBondContact O-N 3.32Å; G438-L441 PolarHBondContact O-N 2.93Å; G438-K442 WeakPolarHBondContact O-CG 3.47Å; G438-K442 PolarHBondContact O-N 3.44Å |
| 439 | P | 97.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -51.2 | -44.8 | 170.2 | -31.1 | 35.3 | 0 | 0 | 0 | 114.5 | Y407 L435 K436 K442 I443 | Y407-P439 HydrophobicContact CD2-CB 4.02Å; Y407-P439 HydrophobicContact CD2-CG 4.47Å; Y407-P439 HydrophobicContact CE2-CB 3.61Å; Y407-P439 HydrophobicContact CE2-CG 3.59Å; L435-P439 HydrophobicContact CD2-CB 4.3Å; L435-P439 HydrophobicContact CG-CB 4.47Å; K436-P439 HydrophobicContact CB-CG 4.36Å; K436-P439 WeakPolarHBondContact O-CD 3.5Å; P439-K442 WeakPolarHBondContact O-CB 3.32Å; P439-K442 PolarHBondContact O-N 3.48Å; P439-I443 WeakPolarHBondContact O-CD1 3.05Å; P439-I443 WeakPolarHBondContact O-CG1 3.4Å; P439-I443 PolarHBondContact O-N 2.88Å |
| 440 | A | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L429 L430 L435 K436 L437 G438 K442 I443 R444 | L429-A440 HydrophobicContact CB-CB 3.8Å; L429-A440 HydrophobicContact CD1-CB 3.93Å; L430-A440 HydrophobicContact CD2-CB 4.12Å; L435-A440 HydrophobicContact CB-CB 4.23Å; L435-A440 HydrophobicContact CD2-CB 4.44Å; K436-A440 PolarHBondContact O-N 3.48Å; L437-A440 PolarHBondContact O-N 2.86Å; G438-A440 VanDerWaalsContact C-N 3.33Å; G438-A440 PolarHBondContact O-N 3.32Å; A440-K442 PolarHBondContact O-N 3.39Å; A440-I443 PolarHBondContact O-N 2.8Å; A440-R444 WeakPolarHBondContact O-CG 3.49Å; A440-R444 PolarHBondContact O-N 3.3Å |
| 441 | L | 96.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 42% | 0.419 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177 | -71.6 | 172 | 0 | 0 | 0 | 112.6 | E426 L437 G438 S445 | E426-L441 WeakPolarHBondContact OE2-CD2 3.19Å; L437-L441 HydrophobicContact CD1-CD1 3.95Å; L437-L441 HydrophobicContact CD1-CG 3.98Å; L437-L441 HydrophobicContact CD2-CD1 4.47Å; L437-L441 HydrophobicContact CG-CD1 3.8Å; L437-L441 HydrophobicContact CG-CG 4.26Å; L437-L441 WeakPolarHBondContact O-CB 3.32Å; L437-L441 VanDerWaalsContact O-CG 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.31Å; L437-L441 PolarHBondContact O-N 2.89Å; G438-L441 PolarHBondContact O-N 2.93Å; L441-S445 VanDerWaalsContact O-CB 3.28Å; L441-S445 WeakPolarHBondContact O-CB 3.36Å; L441-S445 PolarHBondContact O-N 2.89Å |
| 442 | K | 95.9 | Very high | 93.1 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 173.6 | -79.1 | 178.9 | 171 | -171.7 | 0 | 111.7 | I401 P402 T403 G438 P439 A440 S445 Q446 | I401-K442 HydrophobicContact CG2-CB 4.41Å; P402-K442 PolarHBondContact O-NZ 2.9Å; T403-K442 PolarHBondContact OG1-NZ 3.5Å; G438-K442 WeakPolarHBondContact O-CG 3.47Å; G438-K442 PolarHBondContact O-N 3.44Å; P439-K442 WeakPolarHBondContact O-CB 3.32Å; P439-K442 PolarHBondContact O-N 3.48Å; A440-K442 PolarHBondContact O-N 3.39Å; K442-S445 PolarHBondContact O-N 3.21Å; K442-Q446 WeakPolarHBondContact O-CG 3.43Å; K442-Q446 PolarHBondContact O-N 2.91Å |
| 443 | I | 95.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -49.3 | -178.5 | -69.5 | 159.6 | 0 | 0 | 0 | 110.1 | I398 I401 C404 F411 L435 P439 A440 S445 Q446 V447 | I398-I443 HydrophobicContact CD1-CB 4.36Å; I398-I443 HydrophobicContact CD1-CD1 3.93Å; I398-I443 HydrophobicContact CD1-CG1 3.82Å; I398-I443 HydrophobicContact CD1-CG2 3.61Å; I398-I443 HydrophobicContact CG2-CD1 4.29Å; I401-I443 HydrophobicContact CD1-CG1 4.02Å; C404-I443 HydrophobicContact CB-CD1 4.24Å; C404-I443 HydrophobicContact CB-CG1 4.42Å; F411-I443 HydrophobicContact CE2-CD1 4.17Å; F411-I443 HydrophobicContact CZ-CD1 4.11Å; F411-I443 HydrophobicContact CZ-CG2 4.19Å; L435-I443 HydrophobicContact CD2-CD1 3.5Å; P439-I443 WeakPolarHBondContact O-CD1 3.05Å; P439-I443 WeakPolarHBondContact O-CG1 3.4Å; P439-I443 PolarHBondContact O-N 2.88Å; A440-I443 PolarHBondContact O-N 2.8Å; I443-S445 VanDerWaalsContact C-N 3.26Å; I443-S445 PolarHBondContact O-N 2.95Å; I443-Q446 PolarHBondContact O-N 3.42Å; I443-Q446 VanDerWaalsContact O-N 3.09Å; I443-V447 HydrophobicContact CG2-CG2 4.24Å; I443-V447 WeakPolarHBondContact O-CG2 3.29Å; I443-V447 PolarHBondContact O-N 3.42Å |
| 444 | R | 94.6 | Very high | 89 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55 | -40.5 | 175.3 | -67.8 | -178.6 | 70.5 | -131.5 | -6.9 | 112.4 | E426 L429 A440 S448 | E426-R444 IonicContact OE2-CZ 3.77Å; E426-R444 IonicContact OE2-NH1 3.64Å; E426-R444 PolarHBondContact OE2-NH1 2.78Å; L429-R444 HydrophobicContact CD1-CG 3.54Å; A440-R444 WeakPolarHBondContact O-CG 3.49Å; A440-R444 PolarHBondContact O-N 3.3Å; R444-S448 VanDerWaalsContact O-CB 3.28Å; R444-S448 WeakPolarHBondContact O-CB 3.38Å; R444-S448 PolarHBondContact O-N 2.89Å; R444-S448 PolarHBondContact O-OG 3.09Å |
| 445 | S | 93.6 | Very high | 86.8 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 175 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | L441 K442 I443 S448 R449 | L441-S445 VanDerWaalsContact O-CB 3.28Å; L441-S445 WeakPolarHBondContact O-CB 3.36Å; L441-S445 PolarHBondContact O-N 2.89Å; K442-S445 PolarHBondContact O-N 3.21Å; I443-S445 VanDerWaalsContact C-N 3.26Å; I443-S445 PolarHBondContact O-N 2.95Å; S445-S448 PolarHBondContact O-N 3.44Å; S445-R449 WeakPolarHBondContact O-CG 3.41Å; S445-R449 PolarHBondContact O-N 2.96Å |
| 446 | Q | 93.2 | Very high | 84.5 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | -178.5 | -65.9 | -76.1 | 46.7 | 0 | 0 | 112.6 | F397 I401 K442 I443 R449 R450 | F397-Q446 HydrophobicContact CE2-CB 4.15Å; F397-Q446 HydrophobicContact CZ-CB 3.69Å; I401-Q446 HydrophobicContact CD1-CB 4.01Å; I401-Q446 HydrophobicContact CD1-CG 4Å; I401-Q446 HydrophobicContact CG1-CG 4.23Å; K442-Q446 WeakPolarHBondContact O-CG 3.43Å; K442-Q446 PolarHBondContact O-N 2.91Å; I443-Q446 PolarHBondContact O-N 3.42Å; I443-Q446 VanDerWaalsContact O-N 3.09Å; Q446-R449 PolarHBondContact O-N 3.44Å; Q446-R450 WeakPolarHBondContact O-CG 3.45Å; Q446-R450 PolarHBondContact O-N 3.28Å |
| 447 | V | 93.5 | Very high | 82 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 172.6 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | I386 F397 L421 I443 R449 R450 M451 | I386-V447 HydrophobicContact CD1-CG1 4.23Å; F397-V447 HydrophobicContact CE1-CG2 3.71Å; F397-V447 HydrophobicContact CZ-CG2 4.01Å; L421-V447 HydrophobicContact CD1-CG2 3.85Å; L421-V447 HydrophobicContact CD2-CG2 3.89Å; L421-V447 HydrophobicContact CG-CG1 4.44Å; L421-V447 HydrophobicContact CG-CG2 3.77Å; I443-V447 HydrophobicContact CG2-CG2 4.24Å; I443-V447 WeakPolarHBondContact O-CG2 3.29Å; I443-V447 PolarHBondContact O-N 3.42Å; V447-R449 VanDerWaalsContact C-N 3.3Å; V447-R449 PolarHBondContact O-N 2.82Å; V447-R450 PolarHBondContact O-N 3.49Å; V447-M451 HydrophobicContact CG1-CE 3.61Å; V447-M451 WeakPolarHBondContact O-CB 3.37Å; V447-M451 PolarHBondContact O-N 3.09Å |
| 448 | S | 89.8 | Confident | 79.7 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | R444 S445 | R444-S448 VanDerWaalsContact O-CB 3.28Å; R444-S448 WeakPolarHBondContact O-CB 3.38Å; R444-S448 PolarHBondContact O-N 2.89Å; R444-S448 PolarHBondContact O-OG 3.09Å; S445-S448 PolarHBondContact O-N 3.44Å |
| 449 | R | 88.8 | Confident | 77.3 | Confident | 170 Ų | 170 | 82.6 Ų | 82.6 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.6 | -46.1 | 174.4 | -71 | 175.4 | 72.5 | -127.9 | -2.6 | 111.7 | S445 Q446 V447 M451 G452 | S445-R449 WeakPolarHBondContact O-CG 3.41Å; S445-R449 PolarHBondContact O-N 2.96Å; Q446-R449 PolarHBondContact O-N 3.44Å; V447-R449 VanDerWaalsContact C-N 3.3Å; V447-R449 PolarHBondContact O-N 2.82Å; R449-M451 VanDerWaalsContact C-N 3.29Å; R449-M451 PolarHBondContact O-N 3.42Å; R449-G452 PolarHBondContact O-N 3.02Å |
| 450 | R | 87.3 | Confident | 74.4 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 30% | 0.298 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.8 | -34.3 | 176.8 | -76.9 | -75.1 | -166.2 | -171.4 | 5.8 | 112.4 | E381 I386 W389 F397 Q446 V447 G452 | E381-R450 IonicContact OE2-CZ 2.7Å; E381-R450 IonicContact OE2-NH1 2.86Å; E381-R450 PolarHBondContact OE2-NH1 3.16Å; E381-R450 IonicContact OE2-NH2 3.69Å; E381-R450 PolarHBondContact OE2-NH2 3.37Å; I386-R450 HydrophobicContact CD1-CB 3.48Å; I386-R450 VanDerWaalsContact CD1-CB 3.48Å; I386-R450 HydrophobicContact CG1-CB 3.98Å; W389-R450 HydrophobicContact CH2-CG 4.18Å; F397-R450 HydrophobicContact CE2-CG 4.23Å; Q446-R450 WeakPolarHBondContact O-CG 3.45Å; Q446-R450 PolarHBondContact O-N 3.28Å; V447-R450 PolarHBondContact O-N 3.49Å; R450-G452 PolarHBondContact O-N 3.39Å; R450-G452 VanDerWaalsContact O-N 3.16Å |
| 451 | M | 83.9 | Confident | 72 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.5 | -179.3 | -148.6 | 78.3 | 67.1 | 0 | 0 | 114.5 | I386 P422 V447 R449 S453 | I386-M451 HydrophobicContact CD1-CB 4.4Å; I386-M451 HydrophobicContact CD1-CE 3.92Å; I386-M451 HydrophobicContact CD1-SD 3.85Å; P422-M451 HydrophobicContact CB-CE 3.53Å; P422-M451 HydrophobicContact CB-SD 4.28Å; P422-M451 HydrophobicContact CG-CE 3.8Å; P422-M451 HydrophobicContact CG-SD 4.23Å; V447-M451 HydrophobicContact CG1-CE 3.61Å; V447-M451 WeakPolarHBondContact O-CB 3.37Å; V447-M451 PolarHBondContact O-N 3.09Å; R449-M451 VanDerWaalsContact C-N 3.29Å; R449-M451 PolarHBondContact O-N 3.42Å; M451-S453 VanDerWaalsContact C-N 3.29Å; M451-S453 PolarHBondContact O-N 3.49Å; M451-S453 VanDerWaalsContact O-N 3.12Å |
| 452 | G | 72.7 | Confident | 69.3 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | trans | 66.7 | 12.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | R449 R450 | R449-G452 PolarHBondContact O-N 3.02Å; R450-G452 PolarHBondContact O-N 3.39Å; R450-G452 VanDerWaalsContact O-N 3.16Å | ||
| 453 | S | 56.9 | Low | 66.5 | Low | 65 Ų | 65 | 99 Ų | 99 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -148.8 | 125.2 | -178.8 | -165 | 0 | 0 | 0 | 0 | 117 | M451 M455 | M451-S453 VanDerWaalsContact C-N 3.29Å; M451-S453 PolarHBondContact O-N 3.49Å; M451-S453 VanDerWaalsContact O-N 3.12Å; S453-M455 VanDerWaalsContact C-N 3.29Å; S453-M455 PolarHBondContact O-N 3.35Å |
| 454 | M | 49.1 | Very low | 63.7 | Low | 138 Ų | 138 | 102.9 Ų | 102.9 | 68% | 0.68 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 48.2 | -37.3 | 147.3 | -67.2 | 171.5 | 57.1 | 0 | 0 | 122.3 | Y456 M457 | M454-Y456 PolarHBondContact O-N 2.85Å; M454-M457 PolarHBondContact O-N 3.15Å |
| 455 | M | 49.1 | Very low | 60.9 | Low | 135 Ų | 135 | 103 Ų | 103 | 67% | 0.665 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -71.2 | -25.8 | -163 | -59.6 | -58.6 | -77.4 | 0 | 0 | 114.4 | S453 M457 L458 | S453-M455 VanDerWaalsContact C-N 3.29Å; S453-M455 PolarHBondContact O-N 3.35Å; M455-M457 VanDerWaalsContact C-N 3.3Å; M455-M457 PolarHBondContact O-N 3.26Å; M455-L458 PolarHBondContact O-N 3.48Å; M455-L458 HydrophobicContact SD-CD1 4.07Å |
| 456 | Y | 48.6 | Very low | 58.4 | Low | 144 Ų | 144 | 104.2 Ų | 104.2 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -75.3 | -13.7 | -176.5 | 69.5 | -96.4 | 0 | 0 | 0 | 114.5 | M454 | M454-Y456 PolarHBondContact O-N 2.85Š|
| 457 | M | 44.7 | Very low | 55.6 | Low | 130 Ų | 130 | 110 Ų | 110 | 64% | 0.64 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -93.4 | -11.3 | 175.4 | -67.4 | -166.7 | -67.4 | 0 | 0 | 113.7 | M454 M455 N459 | M454-M457 PolarHBondContact O-N 3.15Å; M455-M457 VanDerWaalsContact C-N 3.3Å; M455-M457 PolarHBondContact O-N 3.26Å; M457-N459 VanDerWaalsContact C-N 3.32Å; M457-N459 PolarHBondContact O-N 3.27Å |
| 458 | L | 48.4 | Very low | 52.8 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -16.8 | -178.1 | -71.7 | 170.6 | 0 | 0 | 0 | 113.7 | M455 | M455-L458 PolarHBondContact O-N 3.48Å; M455-L458 HydrophobicContact SD-CD1 4.07Å |
| 459 | N | 45.9 | Very low | 49.9 | Very low | 150 Ų | 150 | 121 Ų | 121 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 16.9 | -174 | -70.2 | -44.5 | 0 | 0 | 0 | 114.1 | M457 | M457-N459 VanDerWaalsContact C-N 3.32Å; M457-N459 PolarHBondContact O-N 3.27Å |
| 460 | L | 37.1 | Very low | 47.2 | Very low | 132 Ų | 132 | 118 Ų | 118 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -139.2 | 119.6 | 174.1 | -153.7 | 77.6 | 0 | 0 | 0 | 111.1 | L462 | L460-L462 PolarHBondContact O-N 3.14Å; L460-L462 VanDerWaalsContact O-N 3.09Å |
| 461 | P | 46.5 | Very low | 44.5 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | trans | -84 | 86.5 | -172.8 | 33 | -35.1 | 0 | 0 | 0 | 111.8 | ||||
| 462 | L | 39.3 | Very low | 41.9 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | -144 | 142.2 | 166.7 | -160.5 | 58.1 | 0 | 0 | 0 | 114.6 | L460 | L460-L462 PolarHBondContact O-N 3.14Å; L460-L462 VanDerWaalsContact O-N 3.09Å | ||
| 463 | S | 36.8 | Very low | 40.3 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -32.3 | 124 | -178.7 | -51.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 464 | G | 38.2 | Very low | 39.4 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 465 | A | 36.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 132 Ų | 132 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 136.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 466 | A | 39.2 | Very low | 37.6 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 143.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 467 | L | 36.3 | Very low | 37 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -115.9 | 146.5 | 151.5 | -79.1 | 176.4 | 0 | 0 | 0 | 109.4 | ||||
| 468 | Q | 33.5 | Very low | 36.4 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -96.9 | 126.4 | -163.1 | -61.7 | 168.5 | 9.5 | 0 | 0 | 110.3 | A470 | Q468-A470 PolarHBondContact O-N 3.45Š| ||
| 469 | A | 29.4 | Very low | 36.6 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -76.5 | 110.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 470 | A | 30.8 | Very low | 35.9 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | trans | -66.9 | 144 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q468 | Q468-A470 PolarHBondContact O-N 3.45Š| ||
| 471 | S | 31.8 | Very low | 35.9 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 84% | 0.844 | S | S | * | * | trans | -125.8 | 123.8 | -178.2 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 472 | E | 29.4 | Very low | 35.1 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -117.2 | 161.4 | 170.8 | -69.1 | -148.1 | 86.5 | 0 | 0 | 111.5 | ||||
| 473 | K | 38 | Very low | 34.8 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -90.3 | 159.5 | -155.4 | -99.1 | -173.4 | 165 | -177 | 0 | 115.2 | ||||
| 474 | P | 38.4 | Very low | 35.7 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 84% | 0.844 | 84% | 0.841 | S | S | * | * | trans | -82.1 | 158.3 | 173.1 | 35.5 | -35.4 | 0 | 0 | 0 | 113 | ||||
| 475 | G | 30.3 | Very low | 35.5 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -161.6 | 137.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 476 | D | 30.3 | Very low | 35.4 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -52.5 | 144.4 | -170.3 | -65.5 | -90 | 0 | 0 | 0 | 117 | ||||
| 477 | R | 35.5 | Very low | 35 | Very low | 246 Ų | 246 | 141.5 Ų | 141.5 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | -151 | 160.3 | 101.9 | -74.9 | -141.4 | 169.4 | 78.1 | 4.2 | 111.4 | |||||
| 478 | S | 32 | Very low | 34.7 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -114.2 | -173.3 | -169.5 | -136.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 479 | P | 52.8 | Low | 34.8 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | -122.1 | 172.9 | -121.5 | 38.6 | -21.2 | 0 | 0 | 0 | 115.2 | |||||
| 480 | E | 31.1 | Very low | 35 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -149.9 | 177.8 | 153.4 | -129.2 | 177.7 | 149.7 | 0 | 0 | 113 | ||||
| 481 | M | 37.3 | Very low | 35.1 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -97.2 | 145.3 | -149.5 | -157.2 | 70.2 | 162.6 | 0 | 0 | 114.8 | ||||
| 482 | G | 31.1 | Very low | 35.4 | Very low | 78 Ų | 78 | 145.2 Ų | 145.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -177.8 | 106.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 483 | S | 32.2 | Very low | 36 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -162 | 158.7 | 175.9 | -166.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 484 | P | 54.8 | Low | 35.7 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | cis | -128.9 | -168.6 | 5.8 | 43.4 | -28.2 | 0 | 0 | 0 | 113.5 | ||||
| 485 | V | 35.1 | Very low | 35.5 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | -162.9 | 146.6 | 118.5 | 139 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 486 | N | 33.4 | Very low | 36.2 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 66% | 0.658 | 81% | 0.812 | S | S | * | * | trans | -106.6 | 145 | 177.7 | 175.4 | 41 | 0 | 0 | 0 | 110.3 | ||||
| 487 | C | 31.1 | Very low | 36.3 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 75% | 0.75 | 82% | 0.816 | S | S | * | * | trans | -125.9 | 86.3 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 488 | N | 31.2 | Very low | 36.1 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 65% | 0.652 | 81% | 0.808 | S | S | * | * | trans | -79.7 | 160.8 | 152.8 | -72.2 | -28.9 | 0 | 0 | 0 | 109.1 | ||||
| 489 | S | 33.9 | Very low | 36.7 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -139.3 | 125.8 | 164.6 | -65.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 490 | E | 33.9 | Very low | 35.6 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -109 | 119.2 | -175 | -67 | 170.8 | 89.5 | 0 | 0 | 109 | M492 | E490-M492 PolarHBondContact O-N 3.47Š| ||
| 491 | D | 33.4 | Very low | 36 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 95% | 0.952 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 111.7 | 171.9 | -103.5 | -59.9 | 0 | 0 | 0 | 109.9 | ||||
| 492 | M | 38.3 | Very low | 35.9 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -108.4 | 124.3 | 177.1 | -76.6 | -146.5 | 76.1 | 0 | 0 | 112.2 | E490 | E490-M492 PolarHBondContact O-N 3.47Š| ||
| 493 | V | 42.5 | Very low | 36 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -80 | 122.2 | 174.8 | -73.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 494 | A | 31.3 | Very low | 36 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 135.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 495 | S | 34.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -108.8 | 137.6 | 175.8 | 159.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 496 | P | 43.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -99.8 | 175.6 | 154.3 | -4.8 | 25.9 | 0 | 0 | 0 | 112 | ||||
| 497 | R | 32.8 | Very low | 34.5 | Very low | 240 Ų | 240 | 146.2 Ų | 146.2 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -102 | 164.2 | -168.7 | -65.4 | 173.4 | 172.2 | 149.4 | -3.5 | 114.2 | ||||
| 498 | D | 31.1 | Very low | 34.6 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | -33.3 | 151.8 | 148.6 | -105.2 | -64.2 | 0 | 0 | 0 | 113.9 | E500 | D498-E500 PolarHBondContact OD1-N 2.96Š| ||
| 499 | P | 45.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | -137.2 | 154.7 | 52 | 39.1 | -23 | 0 | 0 | 0 | 117.5 | |||||
| 500 | E | 29 | Very low | 34.6 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | -178.8 | 144.8 | 105.1 | -98.1 | -170.9 | 164.9 | 0 | 0 | 113.7 | D498 | D498-E500 PolarHBondContact OD1-N 2.96Š| |||
| 501 | V | 39 | Very low | 34.7 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -103.8 | 111 | 179 | 175 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 502 | I | 36.5 | Very low | 34.7 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -122.2 | 143.9 | 164.9 | -61.8 | -175.6 | 0 | 0 | 0 | 109.8 | ||||
| 503 | K | 33.5 | Very low | 34.6 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -111.9 | 126.7 | -161.9 | 173.7 | -171.4 | -179.9 | -175.8 | 0 | 110.3 | ||||
| 504 | S | 31.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -124 | 145.8 | 170.3 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 505 | T | 30.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -152.8 | 97.3 | -174.7 | -60 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 506 | E | 31.4 | Very low | 35.4 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -138.1 | 107.1 | 169.5 | -62.9 | -178.2 | 115.5 | 0 | 0 | 104.6 | ||||
| 507 | H | 30.6 | Very low | 35.8 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 73% | 0.731 | 81% | 0.805 | S | S | * | * | 69.4 | 79.7 | 58.2 | -150.3 | 86.2 | 0 | 0 | 0 | 112 | H509 | H507-H509 AromaticContact NE2-ND1 3.97Š| |||
| 508 | L | 32.6 | Very low | 36.1 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | trans | -104.4 | 129.2 | 169.6 | -107.2 | 166.5 | 0 | 0 | 0 | 108.6 | ||||
| 509 | H | 33.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 88.9 | -166 | -159.7 | -147.5 | 0 | 0 | 0 | 111.4 | H507 | H507-H509 AromaticContact NE2-ND1 3.97Š| ||
| 510 | E | 31.6 | Very low | 36.3 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -169.3 | 114.1 | 163.9 | -106 | 163.3 | 168.5 | 0 | 0 | 105.4 | ||||
| 511 | A | 35.8 | Very low | 37 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | cis | 90.7 | 84.5 | 33.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 512 | E | 34.3 | Very low | 37.3 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -147.7 | 163.7 | 146.6 | -123.5 | -171.4 | 116.6 | 0 | 0 | 111.9 | ||||
| 513 | N | 35.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -109.6 | 141.3 | -164.2 | -73.5 | -85 | 0 | 0 | 0 | 113.8 | ||||
| 514 | S | 35.6 | Very low | 38.4 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -160.7 | 109.5 | 147.1 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 515 | S | 36.4 | Very low | 38.7 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 61.8 | 121.9 | 144.8 | -55 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 516 | P | 52.9 | Low | 39.1 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -80.6 | -174.4 | 155.6 | 39.4 | -36.2 | 0 | 0 | 0 | 110.4 | ||||
| 517 | P | 52.6 | Low | 39.6 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -132 | 177.1 | 14.3 | 38 | -15.6 | 0 | 0 | 0 | 114.9 | ||||
| 518 | S | 38 | Very low | 40.1 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -178.5 | 159.1 | 73.2 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 519 | A | 41.7 | Very low | 40.6 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 35.6 | 141.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 520 | S | 40.2 | Very low | 41 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | cis | -169.9 | -174.6 | -4.5 | -94 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 521 | S | 42.9 | Very low | 41.7 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | trans | 19.8 | 139.1 | 145.4 | -81.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 522 | E | 45.4 | Very low | 42.2 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | 178.3 | 171.8 | 30.3 | -120.7 | 158.6 | 79.2 | 0 | 0 | 106.4 | ||||
| 523 | M | 48 | Very low | 42.8 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | cis | -159.1 | 164.3 | -2.9 | -158.8 | 177.1 | -126.9 | 0 | 0 | 108.5 | ||||
| 524 | A | 44.7 | Very low | 43.5 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 100% | 1.397 | 80% | 0.802 | S | S | * | * | trans | 57 | 0 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118 |
Retrieved 524 of 524 residues in 293.4 ms
(Link to these results)