| 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 | 42.5 | Very low | 65.2 | Low | 245 Ų | 245 | 111.5 Ų | 111.5 | 100% | 1.207 | 66% | 0.658 | S | S | * | * | 0 | 108.6 | 0 | -77.4 | -175.3 | 168.1 | 0 | 0 | 107.4 | |||||
| 2 | Q | 43.1 | Very low | 66.2 | Low | 187 Ų | 187 | 109.1 Ų | 109.1 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.9 | 171.5 | -119.9 | 159 | -11.4 | 0 | 0 | 107.6 | ||
| 3 | P | 59.6 | Low | 67.5 | Low | 108 Ų | 108 | 108.4 Ų | 108.4 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.7 | 174.4 | 24.7 | -31.4 | 0 | 0 | 0 | 108.6 | ||
| 4 | P | 56.5 | Low | 68.9 | Low | 114 Ų | 114 | 109.4 Ų | 109.4 | 74% | 0.74 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 139.9 | 179.8 | 23.6 | -32.3 | 0 | 0 | 0 | 109.2 | ||
| 5 | P | 63.2 | Low | 69.6 | Low | 115 Ų | 115 | 109.2 Ų | 109.2 | 75% | 0.747 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 138.9 | 177 | 23.5 | -32 | 0 | 0 | 0 | 108.5 | G7 | P5-G7 PolarHBondContact O-N 3.46Å; P5-G7 VanDerWaalsContact O-N 3.14Å |
| 6 | P | 62.5 | Low | 69.9 | Low | 68 Ų | 68 | 112.1 Ų | 112.1 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 127.2 | 178.8 | 22.3 | -31.2 | 0 | 0 | 0 | 108.6 | D11 R14 | P6-D11 WeakPolarHBondContact CG-OD1 3.43Å; P6-R14 VanDerWaalsContact CG-NH2 3.31Å |
| 7 | G | 71.4 | Confident | 70.8 | Confident | 40 Ų | 40 | 113.1 Ų | 113.1 | 41% | 0.412 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 160 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P5 L9 G10 D11 | P5-G7 PolarHBondContact O-N 3.46Å; P5-G7 VanDerWaalsContact O-N 3.14Å; G7-L9 PolarHBondContact O-N 2.85Å; G7-G10 PolarHBondContact O-N 3.07Å; G7-D11 PolarHBondContact O-N 3.26Å |
| 8 | P | 72.8 | Confident | 71.5 | Confident | 118 Ų | 118 | 111.7 Ų | 111.7 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -54.5 | -22.6 | -178.4 | 16.5 | -29 | 0 | 0 | 0 | 114.2 | C12 | P8-C12 WeakPolarHBondContact O-CB 3.34Å; P8-C12 PolarHBondContact O-N 2.94Å |
| 9 | L | 77.1 | Confident | 71.3 | Confident | 138 Ų | 138 | 111.3 Ų | 111.3 | 72% | 0.723 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.5 | -36.5 | 173.3 | -144.8 | 98.8 | 0 | 0 | 0 | 113.3 | G7 C12 L13 | G7-L9 PolarHBondContact O-N 2.85Å; L9-C12 PolarHBondContact O-N 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 2.77Å |
| 10 | G | 84.3 | Confident | 70.9 | Confident | 27 Ų | 27 | 110.3 Ų | 110.3 | 28% | 0.278 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -78.5 | -21 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G7 R14 | G7-G10 PolarHBondContact O-N 3.07Å; G10-R14 PolarHBondContact O-NE 3.49Å; G10-R14 VanDerWaalsContact O-NE 3.15Å; G10-R14 PolarHBondContact O-NH2 3.5Å |
| 11 | D | 83.8 | Confident | 71.4 | Confident | 66 Ų | 66 | 111.6 Ų | 111.6 | 35% | 0.353 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.4 | -45.6 | 166.9 | -64.7 | -27.6 | 0 | 0 | 0 | 110.1 | P6 G7 L13 R14 D15 | P6-D11 WeakPolarHBondContact CG-OD1 3.43Å; G7-D11 PolarHBondContact O-N 3.26Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3Å; D11-R14 PolarHBondContact O-N 3.26Å; D11-R14 VanDerWaalsContact O-N 3.08Å; D11-R14 IonicContact OD1-CZ 3.87Å; D11-R14 IonicContact OD1-NH2 3.74Å; D11-R14 PolarHBondContact OD1-NH2 2.99Å; D11-D15 PolarHBondContact O-N 3.25Å |
| 12 | C | 78.1 | Confident | 72.4 | Confident | 83 Ų | 83 | 104.3 Ų | 104.3 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.4 | -37.5 | 175.5 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | P8 L9 W16 | P8-C12 WeakPolarHBondContact O-CB 3.34Å; P8-C12 PolarHBondContact O-N 2.94Å; L9-C12 PolarHBondContact O-N 3.31Å; C12-W16 WeakPolarHBondContact O-CB 3.31Å; C12-W16 PolarHBondContact O-N 2.85Å |
| 13 | L | 82.8 | Confident | 72.9 | Confident | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 175 | -77.3 | 170.9 | 0 | 0 | 0 | 112.9 | L9 D11 W16 E17 | L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 2.77Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3Å; L13-W16 PolarHBondContact O-N 3.02Å; L13-E17 PolarHBondContact O-N 3.33Å |
| 14 | R | 86.9 | Confident | 73.2 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 174.5 | -96.2 | 175.4 | -66.4 | -159.6 | 0.9 | 111.6 | P6 G10 D11 W16 E17 D18 | P6-R14 VanDerWaalsContact CG-NH2 3.31Å; G10-R14 PolarHBondContact O-NE 3.49Å; G10-R14 VanDerWaalsContact O-NE 3.15Å; G10-R14 PolarHBondContact O-NH2 3.5Å; D11-R14 PolarHBondContact O-N 3.26Å; D11-R14 VanDerWaalsContact O-N 3.08Å; D11-R14 IonicContact OD1-CZ 3.87Å; D11-R14 IonicContact OD1-NH2 3.74Å; D11-R14 PolarHBondContact OD1-NH2 2.99Å; R14-W16 PolarHBondContact O-N 2.99Å; R14-E17 WeakPolarHBondContact O-CB 3.39Å; R14-E17 PolarHBondContact O-N 3.32Å; R14-D18 PolarHBondContact O-N 3.35Å |
| 15 | D | 79.9 | Confident | 74.1 | Confident | 107 Ų | 107 | 99.6 Ų | 99.6 | 57% | 0.572 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.4 | -36.5 | 176.8 | -66.7 | -15.1 | 0 | 0 | 0 | 111.2 | D11 L19 | D11-D15 PolarHBondContact O-N 3.25Å; D15-L19 VanDerWaalsContact O-CB 3.24Å; D15-L19 WeakPolarHBondContact O-CB 3.48Å; D15-L19 PolarHBondContact O-N 2.95Å |
| 16 | W | 73.9 | Confident | 74.2 | Confident | 156 Ų | 156 | 99.3 Ų | 99.3 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -42.4 | 174.3 | 179.3 | -99.9 | 0 | 0 | 0 | 112.9 | C12 L13 R14 L19 Q20 | C12-W16 WeakPolarHBondContact O-CB 3.31Å; C12-W16 PolarHBondContact O-N 2.85Å; L13-W16 PolarHBondContact O-N 3.02Å; R14-W16 PolarHBondContact O-N 2.99Å; W16-L19 HydrophobicContact CE3-CD2 4.49Å; W16-L19 PolarHBondContact O-N 3.03Å; W16-Q20 VanDerWaalsContact O-CB 3.3Å; W16-Q20 WeakPolarHBondContact O-CB 3.49Å; W16-Q20 PolarHBondContact O-N 3.11Å |
| 17 | E | 84.9 | Confident | 74.1 | Confident | 128 Ų | 128 | 101 Ų | 101 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 176.1 | -129.4 | 99.2 | -126.1 | 0 | 0 | 111.4 | L13 R14 Q20 Q21 | L13-E17 PolarHBondContact O-N 3.33Å; R14-E17 WeakPolarHBondContact O-CB 3.39Å; R14-E17 PolarHBondContact O-N 3.32Å; E17-Q20 WeakPolarHBondContact O-CB 3.43Å; E17-Q20 PolarHBondContact O-N 3.37Å; E17-Q21 PolarHBondContact O-N 2.91Å |
| 18 | D | 83.9 | Confident | 74.1 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.3 | -70.8 | -19.8 | 0 | 0 | 0 | 110.8 | R14 Q20 Q21 D22 | R14-D18 PolarHBondContact O-N 3.35Å; D18-Q20 VanDerWaalsContact C-N 3.28Å; D18-Q20 PolarHBondContact O-N 3.02Å; D18-Q21 PolarHBondContact O-N 3.19Å; D18-Q21 VanDerWaalsContact O-N 3.17Å; D18-D22 PolarHBondContact O-N 3.48Å |
| 19 | L | 67.8 | Low | 73.8 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 175.9 | -173 | 66.7 | 0 | 0 | 0 | 112 | D15 W16 F23 | D15-L19 VanDerWaalsContact O-CB 3.24Å; D15-L19 WeakPolarHBondContact O-CB 3.48Å; D15-L19 PolarHBondContact O-N 2.95Å; W16-L19 HydrophobicContact CE3-CD2 4.49Å; W16-L19 PolarHBondContact O-N 3.03Å; L19-F23 WeakPolarHBondContact O-CB 3.38Å; L19-F23 PolarHBondContact O-N 3.45Å |
| 20 | Q | 63.8 | Low | 72.9 | Confident | 90 Ų | 90 | 101.1 Ų | 101.1 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 176.6 | -173.9 | 68.5 | 3.7 | 0 | 0 | 111.2 | W16 E17 D18 F23 Q24 | W16-Q20 VanDerWaalsContact O-CB 3.3Å; W16-Q20 WeakPolarHBondContact O-CB 3.49Å; W16-Q20 PolarHBondContact O-N 3.11Å; E17-Q20 WeakPolarHBondContact O-CB 3.43Å; E17-Q20 PolarHBondContact O-N 3.37Å; D18-Q20 VanDerWaalsContact C-N 3.28Å; D18-Q20 PolarHBondContact O-N 3.02Å; Q20-F23 PolarHBondContact O-N 2.99Å; Q20-Q24 WeakPolarHBondContact O-CG 3.29Å; Q20-Q24 PolarHBondContact O-N 3.37Å; Q20-Q24 VanDerWaalsContact O-N 3.14Å |
| 21 | Q | 80.3 | Confident | 72.1 | Confident | 139 Ų | 139 | 107.4 Ų | 107.4 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 175.5 | -176.1 | 172 | -12 | 0 | 0 | 111.8 | E17 D18 F23 Q24 N25 | E17-Q21 PolarHBondContact O-N 2.91Å; D18-Q21 PolarHBondContact O-N 3.19Å; D18-Q21 VanDerWaalsContact O-N 3.17Å; Q21-F23 VanDerWaalsContact C-N 3.31Å; Q21-F23 PolarHBondContact O-N 3.47Å; Q21-Q24 PolarHBondContact O-N 2.97Å; Q21-N25 PolarHBondContact O-N 3.18Å |
| 22 | D | 64.3 | Low | 72 | Confident | 92 Ų | 92 | 109 Ų | 109 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 174.9 | -81.3 | -15.6 | 0 | 0 | 0 | 111.8 | D18 Q24 N25 I26 | D18-D22 PolarHBondContact O-N 3.48Å; D22-Q24 VanDerWaalsContact C-N 3.33Å; D22-Q24 PolarHBondContact O-N 2.97Å; D22-N25 PolarHBondContact O-N 3.18Å; D22-I26 WeakPolarHBondContact O-CB 3.18Å; D22-I26 VanDerWaalsContact O-CG1 3.25Å; D22-I26 WeakPolarHBondContact O-CG1 3.16Å; D22-I26 PolarHBondContact O-N 2.98Å |
| 23 | F | 53.7 | Low | 71.6 | Confident | 113 Ų | 113 | 110.8 Ų | 110.8 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.5 | -178.1 | -98 | 0 | 0 | 0 | 112.1 | L19 Q20 Q21 I26 Q27 | L19-F23 WeakPolarHBondContact O-CB 3.38Å; L19-F23 PolarHBondContact O-N 3.45Å; Q20-F23 PolarHBondContact O-N 2.99Å; Q21-F23 VanDerWaalsContact C-N 3.31Å; Q21-F23 PolarHBondContact O-N 3.47Å; F23-I26 PolarHBondContact O-N 3.12Å; F23-Q27 WeakPolarHBondContact O-CB 3.48Å; F23-Q27 PolarHBondContact O-N 3.01Å |
| 24 | Q | 64.9 | Low | 70.7 | Confident | 93 Ų | 93 | 108.1 Ų | 108.1 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176 | -65.6 | -57.6 | -29.2 | 0 | 0 | 112 | Q20 Q21 D22 Q27 E28 | Q20-Q24 WeakPolarHBondContact O-CG 3.29Å; Q20-Q24 PolarHBondContact O-N 3.37Å; Q20-Q24 VanDerWaalsContact O-N 3.14Å; Q21-Q24 PolarHBondContact O-N 2.97Å; D22-Q24 VanDerWaalsContact C-N 3.33Å; D22-Q24 PolarHBondContact O-N 2.97Å; Q24-Q27 WeakPolarHBondContact O-CB 3.37Å; Q24-Q27 PolarHBondContact O-N 2.99Å; Q24-E28 PolarHBondContact O-N 3.1Å |
| 25 | N | 76.1 | Confident | 70.2 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 177.2 | -172.7 | 21.2 | 0 | 0 | 0 | 112.1 | Q21 D22 Q27 E28 T29 | Q21-N25 PolarHBondContact O-N 3.18Å; D22-N25 PolarHBondContact O-N 3.18Å; N25-Q27 VanDerWaalsContact C-N 3.3Å; N25-Q27 PolarHBondContact O-N 3.33Å; N25-E28 PolarHBondContact O-N 2.91Å; N25-T29 WeakPolarHBondContact O-CB 3.39Å; N25-T29 PolarHBondContact O-N 2.74Å; N25-T29 PolarHBondContact O-OG1 3.04Å |
| 26 | I | 64.6 | Low | 69.8 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 174.2 | -69.4 | 164.6 | 0 | 0 | 0 | 110.5 | D22 F23 E28 T29 H30 | D22-I26 WeakPolarHBondContact O-CB 3.18Å; D22-I26 VanDerWaalsContact O-CG1 3.25Å; D22-I26 WeakPolarHBondContact O-CG1 3.16Å; D22-I26 PolarHBondContact O-N 2.98Å; F23-I26 PolarHBondContact O-N 3.12Å; I26-E28 PolarHBondContact O-N 3.43Å; I26-T29 PolarHBondContact O-N 3.47Å; I26-H30 VanDerWaalsContact O-CB 3.28Å; I26-H30 WeakPolarHBondContact O-CB 3.27Å; I26-H30 PolarHBondContact O-N 2.95Å |
| 27 | Q | 60.4 | Low | 69.6 | Low | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.7 | -166.8 | 179.8 | -75.3 | 0 | 0 | 111.9 | F23 Q24 N25 R31 | F23-Q27 WeakPolarHBondContact O-CB 3.48Å; F23-Q27 PolarHBondContact O-N 3.01Å; Q24-Q27 WeakPolarHBondContact O-CB 3.37Å; Q24-Q27 PolarHBondContact O-N 2.99Å; N25-Q27 VanDerWaalsContact C-N 3.3Å; N25-Q27 PolarHBondContact O-N 3.33Å; Q27-R31 PolarHBondContact O-N 3.01Å |
| 28 | E | 71.1 | Confident | 68.9 | Low | 110 Ų | 110 | 97.2 Ų | 97.2 | 51% | 0.514 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 177.4 | -170.8 | 54.9 | -148.8 | 0 | 0 | 111.9 | Q24 N25 I26 H30 R31 L32 | Q24-E28 PolarHBondContact O-N 3.1Å; N25-E28 PolarHBondContact O-N 2.91Å; I26-E28 PolarHBondContact O-N 3.43Å; E28-H30 VanDerWaalsContact C-N 3.29Å; E28-H30 PolarHBondContact O-N 3Å; E28-R31 WeakPolarHBondContact O-CA 3.45Å; E28-R31 WeakPolarHBondContact O-CB 3.35Å; E28-R31 PolarHBondContact O-N 3.5Å; E28-L32 PolarHBondContact O-N 3.16Å |
| 29 | T | 67.7 | Low | 68.5 | Low | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | N25 I26 R31 L32 Y33 | N25-T29 WeakPolarHBondContact O-CB 3.39Å; N25-T29 PolarHBondContact O-N 2.74Å; N25-T29 PolarHBondContact O-OG1 3.04Å; I26-T29 PolarHBondContact O-N 3.47Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.36Å; T29-L32 PolarHBondContact O-N 3.35Å; T29-Y33 WeakPolarHBondContact O-CB 3.43Å; T29-Y33 PolarHBondContact O-N 3.5Å |
| 30 | H | 58.1 | Low | 68.9 | Low | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 175 | 176.4 | -105.3 | 0 | 0 | 0 | 112.3 | I26 E28 R34 | I26-H30 VanDerWaalsContact O-CB 3.28Å; I26-H30 WeakPolarHBondContact O-CB 3.27Å; I26-H30 PolarHBondContact O-N 2.95Å; E28-H30 VanDerWaalsContact C-N 3.29Å; E28-H30 PolarHBondContact O-N 3Å; H30-R34 WeakPolarHBondContact O-CG 3.03Å; H30-R34 PolarHBondContact O-N 3.34Å; H30-R34 VanDerWaalsContact O-N 3.11Å |
| 31 | R | 67.1 | Low | 69.3 | Low | 159 Ų | 159 | 96.1 Ų | 96.1 | 60% | 0.6 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.8 | -47.7 | 173.5 | -176.5 | -173.1 | 174.9 | 128 | 0.1 | 111.1 | Q27 E28 T29 R34 L35 | Q27-R31 PolarHBondContact O-N 3.01Å; E28-R31 WeakPolarHBondContact O-CA 3.45Å; E28-R31 WeakPolarHBondContact O-CB 3.35Å; E28-R31 PolarHBondContact O-N 3.5Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.36Å; R31-R34 PolarHBondContact O-N 2.9Å; R31-L35 PolarHBondContact O-N 3.11Å; R31-L35 VanDerWaalsContact O-N 3.12Å |
| 32 | L | 82.6 | Confident | 69.1 | Low | 99 Ų | 99 | 96.4 Ų | 96.4 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 178.5 | -178.7 | 63.2 | 0 | 0 | 0 | 111.8 | E28 T29 R34 L35 K36 | E28-L32 PolarHBondContact O-N 3.16Å; T29-L32 PolarHBondContact O-N 3.35Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.87Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-K36 WeakPolarHBondContact O-CG 3.34Å; L32-K36 PolarHBondContact O-N 2.98Å |
| 33 | Y | 67.9 | Low | 70 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 48% | 0.475 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -55.1 | -42.9 | 175 | 170.8 | -117 | 0 | 0 | 0 | 112 | T29 K36 L37 L121 | T29-Y33 WeakPolarHBondContact O-CB 3.43Å; T29-Y33 PolarHBondContact O-N 3.5Å; Y33-K36 PolarHBondContact O-N 3.31Å; Y33-L37 PolarHBondContact O-N 2.93Å; Y33-L121 HydrophobicContact CD1-CD2 3.55Å; Y33-L121 HydrophobicContact CE1-CD1 3.6Å; Y33-L121 HydrophobicContact CE1-CD2 3.09Å; Y33-L121 HydrophobicContact CE1-CG 3.82Å; Y33-L121 HydrophobicContact CE2-CD2 4.43Å; Y33-L121 HydrophobicContact CG-CD2 4.4Å; Y33-L121 WeakPolarHBondContact OH-CD1 3.38Å |
| 34 | R | 65.6 | Low | 71.1 | Confident | 45 Ų | 45 | 94.5 Ų | 94.5 | 17% | 0.17 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.5 | -74.9 | -173 | 63.4 | -132.3 | -21.4 | 113.3 | H30 R31 L32 K36 L37 E38 L121 | H30-R34 WeakPolarHBondContact O-CG 3.03Å; H30-R34 PolarHBondContact O-N 3.34Å; H30-R34 VanDerWaalsContact O-N 3.11Å; R31-R34 PolarHBondContact O-N 2.9Å; L32-R34 VanDerWaalsContact C-N 3.27Å; L32-R34 PolarHBondContact O-N 2.87Å; R34-K36 VanDerWaalsContact C-N 3.34Å; R34-L37 PolarHBondContact O-N 3.01Å; R34-E38 IonicContact NH2-OE1 2.7Å; R34-E38 WeakPolarHBondContact O-CG 3.5Å; R34-E38 PolarHBondContact O-N 2.99Å; R34-L121 HydrophobicContact CG-CD2 3.96Å |
| 35 | L | 76.1 | Confident | 71.7 | Confident | 83 Ų | 83 | 94.9 Ų | 94.9 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.4 | -70.6 | 171 | 0 | 0 | 0 | 111.1 | R31 L32 L37 E38 E39 | R31-L35 PolarHBondContact O-N 3.11Å; R31-L35 VanDerWaalsContact O-N 3.12Å; L32-L35 PolarHBondContact O-N 3.38Å; L35-L37 VanDerWaalsContact C-N 3.27Å; L35-L37 PolarHBondContact O-N 2.92Å; L35-E38 PolarHBondContact O-N 3.37Å; L35-E39 PolarHBondContact O-N 3.35Å |
| 36 | K | 71.1 | Confident | 72 | Confident | 107 Ų | 107 | 93.9 Ų | 93.9 | 47% | 0.465 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 176.6 | -72.2 | -73.6 | 158.5 | -151.7 | 0 | 112.3 | L32 Y33 R34 E39 L40 | L32-K36 WeakPolarHBondContact O-CG 3.34Å; L32-K36 PolarHBondContact O-N 2.98Å; Y33-K36 PolarHBondContact O-N 3.31Å; R34-K36 VanDerWaalsContact C-N 3.34Å; K36-E39 IonicContact NZ-OE2 2.96Å; K36-E39 PolarHBondContact NZ-OE2 3.38Å; K36-E39 PolarHBondContact O-N 3.43Å; K36-L40 WeakPolarHBondContact O-CB 3.32Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.47Å; K36-L40 PolarHBondContact O-N 3.49Å |
| 37 | L | 69.4 | Low | 72.9 | Confident | 20 Ų | 20 | 91.1 Ų | 91.1 | 11% | 0.105 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.9 | -34.2 | 177.6 | -163.3 | 132.4 | 0 | 0 | 0 | 112.9 | Y33 R34 L35 L40 T41 T119 L121 | Y33-L37 PolarHBondContact O-N 2.93Å; R34-L37 PolarHBondContact O-N 3.01Å; L35-L37 VanDerWaalsContact C-N 3.27Å; L35-L37 PolarHBondContact O-N 2.92Å; L37-L40 PolarHBondContact O-N 3.4Å; L37-T41 WeakPolarHBondContact O-CB 3.3Å; L37-T41 PolarHBondContact O-N 3.28Å; L37-T41 PolarHBondContact O-OG1 2.96Å; L37-T119 HydrophobicContact CD1-CG2 4.32Å; L37-L121 HydrophobicContact CB-CB 4.45Å; L37-L121 HydrophobicContact CB-CD2 3.77Å; L37-L121 HydrophobicContact CD1-CB 3.66Å; L37-L121 HydrophobicContact CD1-CD1 3.9Å; L37-L121 HydrophobicContact CD1-CD2 3.69Å; L37-L121 HydrophobicContact CD1-CG 3.91Å; L37-L121 HydrophobicContact CD2-CB 3.37Å; L37-L121 HydrophobicContact CD2-CD2 4.33Å; L37-L121 HydrophobicContact CD2-CG 4.4Å; L37-L121 HydrophobicContact CG-CB 3.95Å; L37-L121 HydrophobicContact CG-CD2 4.08Å; L37-L121 HydrophobicContact CG-CG 4.5Å |
| 38 | E | 69.6 | Low | 73.8 | Confident | 74 Ų | 74 | 88.4 Ų | 88.4 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 172.6 | -72.6 | 173.5 | -174.8 | 0 | 0 | 111.5 | R34 L35 T41 K42 S122 | R34-E38 IonicContact NH2-OE1 2.7Å; R34-E38 WeakPolarHBondContact O-CG 3.5Å; R34-E38 PolarHBondContact O-N 2.99Å; L35-E38 PolarHBondContact O-N 3.37Å; E38-T41 PolarHBondContact O-N 3.08Å; E38-K42 PolarHBondContact O-N 3.36Å; E38-S122 WeakPolarHBondContact OE1-CB 3.34Å; E38-S122 PolarHBondContact OE1-OG 3.15Å |
| 39 | E | 77.4 | Confident | 74.5 | Confident | 111 Ų | 111 | 86.4 Ų | 86.4 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 173.1 | -71 | 177 | 171.9 | 0 | 0 | 111.9 | L35 K36 T41 K42 L43 | L35-E39 PolarHBondContact O-N 3.35Å; K36-E39 IonicContact NZ-OE2 2.96Å; K36-E39 PolarHBondContact NZ-OE2 3.38Å; K36-E39 PolarHBondContact O-N 3.43Å; E39-T41 PolarHBondContact O-N 3.04Å; E39-K42 PolarHBondContact O-N 3.44Å; E39-L43 PolarHBondContact O-N 3.5Å |
| 40 | L | 75.6 | Confident | 75.4 | Confident | 101 Ų | 101 | 85.9 Ų | 85.9 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 177.7 | -74.2 | 174.6 | 0 | 0 | 0 | 112.1 | K36 L37 K42 L43 Q44 | K36-L40 WeakPolarHBondContact O-CB 3.32Å; K36-L40 VanDerWaalsContact O-CG 3.31Å; K36-L40 WeakPolarHBondContact O-CG 3.47Å; K36-L40 PolarHBondContact O-N 3.49Å; L37-L40 PolarHBondContact O-N 3.4Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.01Å; L40-L43 PolarHBondContact O-N 3.43Å; L40-Q44 WeakPolarHBondContact O-CB 3.31Å; L40-Q44 VanDerWaalsContact O-CG 3.31Å; L40-Q44 WeakPolarHBondContact O-CG 3.49Å; L40-Q44 PolarHBondContact O-N 3.09Å |
| 41 | T | 71.5 | Confident | 76.7 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 29% | 0.288 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.5 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | L37 E38 E39 L43 Q44 N45 | L37-T41 WeakPolarHBondContact O-CB 3.3Å; L37-T41 PolarHBondContact O-N 3.28Å; L37-T41 PolarHBondContact O-OG1 2.96Å; E38-T41 PolarHBondContact O-N 3.08Å; E39-T41 PolarHBondContact O-N 3.04Å; T41-L43 VanDerWaalsContact C-N 3.33Å; T41-L43 PolarHBondContact O-N 2.84Å; T41-Q44 PolarHBondContact O-N 3.47Å; T41-N45 PolarHBondContact O-N 3.21Å; T41-N45 PolarHBondContact O-ND2 2.92Å |
| 42 | K | 77.4 | Confident | 77.5 | Confident | 146 Ų | 146 | 77.8 Ų | 77.8 | 64% | 0.635 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 175.7 | -174.7 | 178.7 | 179.7 | -179 | 0 | 111.1 | E38 E39 L40 N45 N46 | E38-K42 PolarHBondContact O-N 3.36Å; E39-K42 PolarHBondContact O-N 3.44Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.01Å; K42-N45 PolarHBondContact O-N 3.38Å; K42-N46 VanDerWaalsContact O-CG 3.23Å; K42-N46 PolarHBondContact O-N 2.84Å; K42-N46 PolarHBondContact O-ND2 3.49Å |
| 43 | L | 82.8 | Confident | 77.8 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 177.5 | -172 | 62.9 | 0 | 0 | 0 | 111.5 | E39 L40 T41 N45 N46 C47 | E39-L43 PolarHBondContact O-N 3.5Å; L40-L43 PolarHBondContact O-N 3.43Å; T41-L43 VanDerWaalsContact C-N 3.33Å; T41-L43 PolarHBondContact O-N 2.84Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.48Å; L43-N46 PolarHBondContact O-N 2.95Å; L43-C47 WeakPolarHBondContact O-CB 3.31Å; L43-C47 PolarHBondContact O-N 3.21Å; L43-C47 PolarHBondContact O-SG 3.02Å; L43-C47 VanDerWaalsContact O-SG 3.37Å |
| 44 | Q | 75.9 | Confident | 78.7 | Confident | 63 Ų | 63 | 79.4 Ų | 79.4 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 176.5 | -75.3 | 175.2 | -12.9 | 0 | 0 | 112.4 | L40 T41 C47 T48 L101 | L40-Q44 WeakPolarHBondContact O-CB 3.31Å; L40-Q44 VanDerWaalsContact O-CG 3.31Å; L40-Q44 WeakPolarHBondContact O-CG 3.49Å; L40-Q44 PolarHBondContact O-N 3.09Å; T41-Q44 PolarHBondContact O-N 3.47Å; Q44-C47 PolarHBondContact O-N 3.35Å; Q44-T48 WeakPolarHBondContact O-CB 3.39Å; Q44-T48 PolarHBondContact O-N 2.86Å; Q44-T48 PolarHBondContact O-OG1 3.38Å; Q44-L101 HydrophobicContact CB-CD2 4.33Å; Q44-L101 HydrophobicContact CG-CD2 4.34Å |
| 45 | N | 77.5 | Confident | 79.6 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.3 | -74.5 | -29.7 | 0 | 0 | 0 | 112.2 | T41 K42 L43 S49 | T41-N45 PolarHBondContact O-N 3.21Å; T41-N45 PolarHBondContact O-ND2 2.92Å; K42-N45 PolarHBondContact O-N 3.38Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.48Å; N45-S49 WeakPolarHBondContact O-CB 3.45Å; N45-S49 PolarHBondContact O-N 3.34Å; N45-S49 PolarHBondContact O-OG 2.96Å |
| 46 | N | 83.1 | Confident | 80.1 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66 | -43 | 177 | -70.9 | -14.6 | 0 | 0 | 0 | 112 | K42 L43 S49 S50 | K42-N46 VanDerWaalsContact O-CG 3.23Å; K42-N46 PolarHBondContact O-N 2.84Å; K42-N46 PolarHBondContact O-ND2 3.49Å; L43-N46 PolarHBondContact O-N 2.95Å; N46-S49 WeakPolarHBondContact CA-OG 3.05Å; N46-S49 PolarHBondContact O-OG 3.36Å; N46-S50 VanDerWaalsContact O-CB 3.24Å; N46-S50 WeakPolarHBondContact O-CB 3.28Å; N46-S50 PolarHBondContact O-N 3.03Å; N46-S50 PolarHBondContact O-OG 3.44Å |
| 47 | C | 82.3 | Confident | 80.9 | Confident | 52 Ų | 52 | 84.8 Ų | 84.8 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 175.8 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | L43 Q44 S49 S50 I51 L101 | L43-C47 WeakPolarHBondContact O-CB 3.31Å; L43-C47 PolarHBondContact O-N 3.21Å; L43-C47 PolarHBondContact O-SG 3.02Å; L43-C47 VanDerWaalsContact O-SG 3.37Å; Q44-C47 PolarHBondContact O-N 3.35Å; C47-S49 PolarHBondContact O-N 3.38Å; C47-S50 PolarHBondContact O-N 2.95Å; C47-I51 WeakPolarHBondContact O-CB 3.37Å; C47-I51 VanDerWaalsContact O-CG1 3.27Å; C47-I51 WeakPolarHBondContact O-CG1 3.38Å; C47-I51 PolarHBondContact O-N 3Å; C47-L101 HydrophobicContact CB-CD1 4.32Å; C47-L101 HydrophobicContact CB-CD2 4.04Å |
| 48 | T | 81.2 | Confident | 81.8 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | Q44 T52 | Q44-T48 WeakPolarHBondContact O-CB 3.39Å; Q44-T48 PolarHBondContact O-N 2.86Å; Q44-T48 PolarHBondContact O-OG1 3.38Å; T48-T52 WeakPolarHBondContact O-CB 3.49Å; T48-T52 PolarHBondContact O-N 3.15Å; T48-T52 PolarHBondContact O-OG1 3.36Å |
| 49 | S | 83.8 | Confident | 82.6 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 47% | 0.469 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 178.3 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | N45 N46 C47 T52 R53 | N45-S49 WeakPolarHBondContact O-CB 3.45Å; N45-S49 PolarHBondContact O-N 3.34Å; N45-S49 PolarHBondContact O-OG 2.96Å; N46-S49 WeakPolarHBondContact CA-OG 3.05Å; N46-S49 PolarHBondContact O-OG 3.36Å; C47-S49 PolarHBondContact O-N 3.38Å; S49-T52 PolarHBondContact O-N 3.37Å; S49-R53 WeakPolarHBondContact O-CB 3.29Å; S49-R53 PolarHBondContact O-N 2.75Å |
| 50 | S | 86.8 | Confident | 83.2 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 48% | 0.483 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.3 | -62 | 0 | 0 | 0 | 0 | 112.5 | N46 C47 R53 Q54 | N46-S50 VanDerWaalsContact O-CB 3.24Å; N46-S50 WeakPolarHBondContact O-CB 3.28Å; N46-S50 PolarHBondContact O-N 3.03Å; N46-S50 PolarHBondContact O-OG 3.44Å; C47-S50 PolarHBondContact O-N 2.95Å; S50-R53 PolarHBondContact O-N 3.26Å; S50-Q54 PolarHBondContact O-N 2.93Å |
| 51 | I | 86.6 | Confident | 83.7 | Confident | 13 Ų | 13 | 85.2 Ų | 85.2 | 7% | 0.067 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.1 | -68 | 165.1 | 0 | 0 | 0 | 110.1 | C47 R53 Q54 K55 F94 M97 E98 L101 | C47-I51 WeakPolarHBondContact O-CB 3.37Å; C47-I51 VanDerWaalsContact O-CG1 3.27Å; C47-I51 WeakPolarHBondContact O-CG1 3.38Å; C47-I51 PolarHBondContact O-N 3Å; I51-R53 VanDerWaalsContact C-N 3.3Å; I51-R53 PolarHBondContact O-N 3.41Å; I51-Q54 PolarHBondContact O-N 3.22Å; I51-K55 VanDerWaalsContact O-CB 3.28Å; I51-K55 WeakPolarHBondContact O-CB 3.27Å; I51-K55 PolarHBondContact O-N 3.34Å; I51-F94 HydrophobicContact CG1-CD1 4.26Å; I51-F94 HydrophobicContact CG2-CB 4.1Å; I51-F94 HydrophobicContact CG2-CD1 4.13Å; I51-F94 HydrophobicContact CG2-CG 4.22Å; I51-M97 HydrophobicContact CD1-CB 3.87Å; I51-E98 HydrophobicContact CG2-CG 4Å; I51-L101 HydrophobicContact CD1-CD1 3.44Å; I51-L101 VanDerWaalsContact CD1-CD1 3.44Å |
| 52 | T | 84.3 | Confident | 84.4 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 177.8 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | T48 S49 K55 K56 | T48-T52 WeakPolarHBondContact O-CB 3.49Å; T48-T52 PolarHBondContact O-N 3.15Å; T48-T52 PolarHBondContact O-OG1 3.36Å; S49-T52 PolarHBondContact O-N 3.37Å; T52-K55 PolarHBondContact O-N 3.48Å; T52-K56 PolarHBondContact O-N 2.89Å |
| 53 | R | 87.5 | Confident | 84.8 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 177.4 | -177.2 | 177.6 | 179.5 | -104.9 | 9.3 | 112.1 | S49 S50 I51 R57 | S49-R53 WeakPolarHBondContact O-CB 3.29Å; S49-R53 PolarHBondContact O-N 2.75Å; S50-R53 PolarHBondContact O-N 3.26Å; I51-R53 VanDerWaalsContact C-N 3.3Å; I51-R53 PolarHBondContact O-N 3.41Å; R53-R57 PolarHBondContact O-N 3.44Å; R53-R57 VanDerWaalsContact O-N 3.15Å |
| 54 | Q | 86.3 | Confident | 85 | Confident | 99 Ų | 99 | 79.8 Ų | 79.8 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.6 | -82.6 | -134 | 34.5 | 0 | 0 | 111.6 | S50 I51 K56 R57 L58 F94 | S50-Q54 PolarHBondContact O-N 2.93Å; I51-Q54 PolarHBondContact O-N 3.22Å; Q54-K56 VanDerWaalsContact C-N 3.33Å; Q54-K56 PolarHBondContact O-N 3.07Å; Q54-R57 PolarHBondContact O-N 2.9Å; Q54-L58 WeakPolarHBondContact O-CB 3.2Å; Q54-L58 PolarHBondContact O-N 2.75Å; Q54-F94 HydrophobicContact CB-CE1 4.3Å; Q54-F94 HydrophobicContact CB-CE2 4.04Å; Q54-F94 HydrophobicContact CB-CZ 3.74Å; Q54-F94 HydrophobicContact CG-CZ 4.22Å |
| 55 | K | 84.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.4 | -43 | 178 | -165.7 | 174.9 | -167.3 | 166.4 | 0 | 111.9 | I51 T52 L58 Q59 E98 | I51-K55 VanDerWaalsContact O-CB 3.28Å; I51-K55 WeakPolarHBondContact O-CB 3.27Å; I51-K55 PolarHBondContact O-N 3.34Å; T52-K55 PolarHBondContact O-N 3.48Å; K55-L58 PolarHBondContact O-N 2.75Å; K55-Q59 WeakPolarHBondContact O-CG 3.24Å; K55-Q59 PolarHBondContact O-N 3.24Å; K55-E98 IonicContact NZ-OE1 3.08Å; K55-E98 PolarHBondContact NZ-OE1 2.91Å; K55-E98 IonicContact NZ-OE2 2.69Å; K55-E98 PolarHBondContact NZ-OE2 3.25Å; K55-E98 VanDerWaalsContact NZ-OE2 3.08Å |
| 56 | K | 88.4 | Confident | 85.7 | Confident | 129 Ų | 129 | 79.9 Ų | 79.9 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61 | -49.5 | 174.9 | -172.8 | -177.9 | 179.3 | -174.3 | 0 | 111.9 | T52 Q54 L58 Q59 E60 | T52-K56 PolarHBondContact O-N 2.89Å; Q54-K56 VanDerWaalsContact C-N 3.33Å; Q54-K56 PolarHBondContact O-N 3.07Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.47Å; K56-Q59 WeakPolarHBondContact O-CB 3.49Å; K56-Q59 PolarHBondContact O-N 3.39Å; K56-E60 WeakPolarHBondContact CE-OE1 3.4Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.42Å |
| 57 | R | 87.1 | Confident | 85.8 | Confident | 143 Ų | 143 | 83.9 Ų | 83.9 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 177.4 | -73.8 | -176.2 | 175.8 | -134.9 | -8.9 | 112.2 | R53 Q54 E60 L61 | R53-R57 PolarHBondContact O-N 3.44Å; R53-R57 VanDerWaalsContact O-N 3.15Å; Q54-R57 PolarHBondContact O-N 2.9Å; R57-E60 PolarHBondContact O-N 3.01Å; R57-L61 WeakPolarHBondContact O-CB 3.43Å; R57-L61 PolarHBondContact O-N 3.36Å |
| 58 | L | 87.4 | Confident | 85.5 | Confident | 17 Ų | 17 | 84.3 Ų | 84.3 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.1 | -161.7 | 65.6 | 0 | 0 | 0 | 111.6 | Q54 K55 K56 L61 A62 M87 R90 Q91 F94 | Q54-L58 WeakPolarHBondContact O-CB 3.2Å; Q54-L58 PolarHBondContact O-N 2.75Å; K55-L58 PolarHBondContact O-N 2.75Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.47Å; L58-L61 PolarHBondContact O-N 2.88Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 3.02Å; L58-M87 HydrophobicContact CD1-CB 4.09Å; L58-M87 HydrophobicContact CD1-CG 3.66Å; L58-M87 HydrophobicContact CG-CB 4.38Å; L58-M87 HydrophobicContact CG-CG 4.32Å; L58-R90 HydrophobicContact CD2-CB 4.34Å; L58-Q91 HydrophobicContact CD2-CG 3.57Å; L58-F94 HydrophobicContact CD2-CE2 4.31Å |
| 59 | Q | 86.7 | Confident | 85.2 | Confident | 106 Ų | 106 | 86.2 Ų | 86.2 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 172.7 | -75.9 | 178.6 | -16.5 | 0 | 0 | 112.3 | K55 K56 L61 A62 L63 | K55-Q59 WeakPolarHBondContact O-CG 3.24Å; K55-Q59 PolarHBondContact O-N 3.24Å; K56-Q59 WeakPolarHBondContact O-CB 3.49Å; K56-Q59 PolarHBondContact O-N 3.39Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 2.88Å; Q59-A62 PolarHBondContact O-N 3.41Å; Q59-L63 WeakPolarHBondContact O-CB 3.4Å; Q59-L63 VanDerWaalsContact O-CG 3.31Å; Q59-L63 WeakPolarHBondContact O-CG 3.31Å; Q59-L63 PolarHBondContact O-N 3Å |
| 60 | E | 89.9 | Confident | 84.6 | Confident | 101 Ų | 101 | 88.5 Ų | 88.5 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.7 | -72.5 | 168.4 | -175.8 | 0 | 0 | 111.3 | K56 R57 L63 A64 | K56-E60 WeakPolarHBondContact CE-OE1 3.4Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.42Å; R57-E60 PolarHBondContact O-N 3.01Å; E60-L63 PolarHBondContact O-N 3Å; E60-A64 PolarHBondContact O-N 2.98Å |
| 61 | L | 86.6 | Confident | 83.7 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 178.1 | -168.3 | 65.7 | 0 | 0 | 0 | 111.9 | R57 L58 Q59 L63 A64 L65 M87 | R57-L61 WeakPolarHBondContact O-CB 3.43Å; R57-L61 PolarHBondContact O-N 3.36Å; L58-L61 PolarHBondContact O-N 2.88Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 2.88Å; L61-L63 VanDerWaalsContact C-N 3.34Å; L61-L63 PolarHBondContact O-N 2.8Å; L61-A64 PolarHBondContact O-N 3.19Å; L61-L65 VanDerWaalsContact O-CB 3.32Å; L61-L65 WeakPolarHBondContact O-CB 3.31Å; L61-L65 PolarHBondContact O-N 3.48Å; L61-M87 HydrophobicContact CB-CE 3.83Å; L61-M87 HydrophobicContact CD2-CE 3.39Å; L61-M87 HydrophobicContact CG-CE 3.32Å |
| 62 | A | 85.8 | Confident | 82.9 | Confident | 29 Ų | 29 | 91.6 Ų | 91.6 | 24% | 0.24 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L58 Q59 K66 M87 | L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 3.02Å; Q59-A62 PolarHBondContact O-N 3.41Å; A62-K66 WeakPolarHBondContact O-CG 3.5Å; A62-K66 PolarHBondContact O-N 3.06Å; A62-M87 HydrophobicContact CB-SD 4.07Å |
| 63 | L | 87.2 | Confident | 82.2 | Confident | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.9 | -41.2 | 174.6 | -73.5 | 170.6 | 0 | 0 | 0 | 111.9 | Q59 E60 L61 K66 K67 | Q59-L63 WeakPolarHBondContact O-CB 3.4Å; Q59-L63 VanDerWaalsContact O-CG 3.31Å; Q59-L63 WeakPolarHBondContact O-CG 3.31Å; Q59-L63 PolarHBondContact O-N 3Å; E60-L63 PolarHBondContact O-N 3Å; L61-L63 VanDerWaalsContact C-N 3.34Å; L61-L63 PolarHBondContact O-N 2.8Å; L63-K66 PolarHBondContact O-N 3.5Å; L63-K67 WeakPolarHBondContact O-CG 3.49Å; L63-K67 PolarHBondContact O-N 3.49Å; L63-K67 VanDerWaalsContact O-N 3.16Å |
| 64 | A | 86.4 | Confident | 81.2 | Confident | 46 Ų | 46 | 88.6 Ų | 88.6 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E60 L61 K66 K67 C68 | E60-A64 PolarHBondContact O-N 2.98Å; L61-A64 PolarHBondContact O-N 3.19Å; A64-K66 PolarHBondContact O-N 3.49Å; A64-K67 WeakPolarHBondContact O-CB 3.49Å; A64-K67 PolarHBondContact O-N 3.28Å; A64-K67 VanDerWaalsContact O-N 3.1Å; A64-C68 PolarHBondContact O-N 2.8Å; A64-C68 PolarHBondContact O-SG 2.91Å; A64-C68 VanDerWaalsContact O-SG 3.38Å |
| 65 | L | 84.3 | Confident | 80.2 | Confident | 22 Ų | 22 | 92.8 Ų | 92.8 | 12% | 0.115 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 177.9 | -171.6 | 61.2 | 0 | 0 | 0 | 111.9 | L61 K67 C68 K69 A80 L83 E84 M87 | L61-L65 VanDerWaalsContact O-CB 3.32Å; L61-L65 WeakPolarHBondContact O-CB 3.31Å; L61-L65 PolarHBondContact O-N 3.48Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 3.39Å; L65-C68 PolarHBondContact O-N 3.37Å; L65-K69 WeakPolarHBondContact O-CB 3.35Å; L65-K69 PolarHBondContact O-N 3.29Å; L65-A80 HydrophobicContact CD1-CB 3.98Å; L65-L83 HydrophobicContact CD1-CD2 4.23Å; L65-L83 HydrophobicContact CD2-CB 4.46Å; L65-L83 HydrophobicContact CD2-CD2 4.1Å; L65-L83 HydrophobicContact CD2-CG 4.32Å; L65-E84 HydrophobicContact CD2-CG 3.55Å; L65-M87 HydrophobicContact CD2-CE 4.14Å; L65-M87 HydrophobicContact CD2-SD 4.2Å |
| 66 | K | 83.1 | Confident | 79.5 | Confident | 143 Ų | 143 | 90.7 Ų | 90.7 | 62% | 0.622 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.3 | -35.6 | 174.1 | -77.6 | -178.8 | 178.4 | -174.6 | 0 | 113.2 | A62 L63 A64 P70 | A62-K66 WeakPolarHBondContact O-CG 3.5Å; A62-K66 PolarHBondContact O-N 3.06Å; L63-K66 PolarHBondContact O-N 3.5Å; A64-K66 PolarHBondContact O-N 3.49Å; K66-P70 WeakPolarHBondContact O-CD 3.2Å |
| 67 | K | 84.7 | Confident | 78.7 | Confident | 168 Ų | 168 | 89.5 Ų | 89.5 | 73% | 0.73 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.3 | -32.8 | 176.4 | -71.7 | 176.3 | -179.2 | -175.7 | 0 | 112.6 | L63 A64 L65 P70 | L63-K67 WeakPolarHBondContact O-CG 3.49Å; L63-K67 PolarHBondContact O-N 3.49Å; L63-K67 VanDerWaalsContact O-N 3.16Å; A64-K67 WeakPolarHBondContact O-CB 3.49Å; A64-K67 PolarHBondContact O-N 3.28Å; A64-K67 VanDerWaalsContact O-N 3.1Å; L65-K67 VanDerWaalsContact C-N 3.29Å; L65-K67 PolarHBondContact O-N 3.39Å; K67-P70 WeakPolarHBondContact O-CD 3.3Å |
| 68 | C | 76.6 | Confident | 78.2 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -84.2 | -26.4 | 180 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | A64 L65 P70 S71 L72 | A64-C68 PolarHBondContact O-N 2.8Å; A64-C68 PolarHBondContact O-SG 2.91Å; A64-C68 VanDerWaalsContact O-SG 3.38Å; L65-C68 PolarHBondContact O-N 3.37Å; C68-P70 VanDerWaalsContact C-CD 3.45Å; C68-S71 PolarHBondContact O-N 2.96Å; C68-S71 PolarHBondContact O-OG 3.48Å; C68-L72 HydrophobicContact CB-CD1 3.98Å; C68-L72 WeakPolarHBondContact O-CD1 3.42Å; C68-L72 PolarHBondContact O-N 2.9Å |
| 69 | K | 74.8 | Confident | 77.9 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -47.4 | -44.7 | 179.7 | -151.5 | 169.7 | -170.1 | 163.9 | 0 | 115.3 | L65 S71 L72 E84 | L65-K69 WeakPolarHBondContact O-CB 3.35Å; L65-K69 PolarHBondContact O-N 3.29Å; K69-S71 PolarHBondContact O-N 3.09Å; K69-L72 PolarHBondContact O-N 3.25Å; K69-E84 VanDerWaalsContact NZ-CD 3.35Å; K69-E84 IonicContact NZ-OE1 2.77Å; K69-E84 PolarHBondContact NZ-OE1 2.79Å; K69-E84 IonicContact NZ-OE2 3.26Å; K69-E84 PolarHBondContact NZ-OE2 3.49Å |
| 70 | P | 71.8 | Confident | 77.4 | Confident | 116 Ų | 116 | 82.6 Ų | 82.6 | 75% | 0.753 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -72 | -9.9 | 179.2 | 27.5 | -35.4 | 0 | 0 | 0 | 114.9 | K66 K67 C68 | K66-P70 WeakPolarHBondContact O-CD 3.2Å; K67-P70 WeakPolarHBondContact O-CD 3.3Å; C68-P70 VanDerWaalsContact C-CD 3.45Å |
| 71 | S | 68.6 | Low | 77 | Confident | 93 Ų | 93 | 83.6 Ų | 83.6 | 65% | 0.65 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -108.9 | 6 | -178.6 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | C68 K69 | C68-S71 PolarHBondContact O-N 2.96Å; C68-S71 PolarHBondContact O-OG 3.48Å; K69-S71 PolarHBondContact O-N 3.09Å |
| 72 | L | 69.5 | Low | 76.9 | Confident | 54 Ų | 54 | 84 Ų | 84 | 28% | 0.283 | 48% | 0.483 | S | S | . | . | trans | -91 | 139.9 | -172.3 | -112.5 | 82.9 | 0 | 0 | 0 | 112.7 | C68 K69 A76 A80 | C68-L72 HydrophobicContact CB-CD1 3.98Å; C68-L72 WeakPolarHBondContact O-CD1 3.42Å; C68-L72 PolarHBondContact O-N 2.9Å; K69-L72 PolarHBondContact O-N 3.25Å; L72-A76 HydrophobicContact CD2-CB 3.4Å; L72-A76 VanDerWaalsContact CD2-CB 3.4Å; L72-A76 VanDerWaalsContact CD2-O 3.31Å; L72-A76 WeakPolarHBondContact CD2-O 3.49Å; L72-A76 HydrophobicContact CG-CB 3.84Å; L72-A80 HydrophobicContact CD2-CB 4.03Å | ||
| 73 | P | 68.3 | Low | 76.8 | Confident | 90 Ų | 90 | 85.6 Ų | 85.6 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | trans | -69.5 | 152.5 | 169.3 | 27 | -31.6 | 0 | 0 | 0 | 111.7 | E75 A76 E77 | P73-E75 PolarHBondContact O-N 3.49Å; P73-E75 VanDerWaalsContact O-N 3.07Å; P73-A76 HydrophobicContact CG-CB 4.04Å; P73-A76 PolarHBondContact O-N 3.19Å; P73-E77 PolarHBondContact O-N 2.86Å | ||
| 74 | A | 67.5 | Low | 76.5 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 71% | 0.711 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -55.1 | -28.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 75 | E | 65.2 | Low | 76.5 | Confident | 186 Ų | 186 | 84 Ų | 84 | 87% | 0.869 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.1 | -35 | 172.9 | -95.6 | -99 | 136.5 | 0 | 0 | 113.1 | P73 | P73-E75 PolarHBondContact O-N 3.49Å; P73-E75 VanDerWaalsContact O-N 3.07Å |
| 76 | A | 68.9 | Low | 76.5 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 26% | 0.264 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -83.9 | -15.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L72 P73 G78 A79 A80 | L72-A76 HydrophobicContact CD2-CB 3.4Å; L72-A76 VanDerWaalsContact CD2-CB 3.4Å; L72-A76 VanDerWaalsContact CD2-O 3.31Å; L72-A76 WeakPolarHBondContact CD2-O 3.49Å; L72-A76 HydrophobicContact CG-CB 3.84Å; P73-A76 HydrophobicContact CG-CB 4.04Å; P73-A76 PolarHBondContact O-N 3.19Å; A76-G78 VanDerWaalsContact C-N 3.32Å; A76-G78 PolarHBondContact O-N 2.74Å; A76-A79 PolarHBondContact O-N 2.83Å; A76-A80 PolarHBondContact O-N 2.8Å |
| 77 | E | 72.9 | Confident | 76.5 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 175.8 | -76.4 | -168.8 | 134.4 | 0 | 0 | 112.2 | P73 A80 Q81 | P73-E77 PolarHBondContact O-N 2.86Å; E77-A80 PolarHBondContact O-N 3.29Å; E77-Q81 WeakPolarHBondContact O-CB 3.35Å; E77-Q81 PolarHBondContact O-N 2.91Å |
| 78 | G | 76.8 | Confident | 76.5 | Confident | 44 Ų | 44 | 78.2 Ų | 78.2 | 45% | 0.454 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A76 Q81 E82 | A76-G78 VanDerWaalsContact C-N 3.32Å; A76-G78 PolarHBondContact O-N 2.74Å; G78-Q81 PolarHBondContact O-N 2.94Å; G78-E82 PolarHBondContact O-N 3Å |
| 79 | A | 79.8 | Confident | 77 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67 | -36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A76 L83 | A76-A79 PolarHBondContact O-N 2.83Å; A79-L83 WeakPolarHBondContact O-CB 3.48Å; A79-L83 PolarHBondContact O-N 2.91Å |
| 80 | A | 77.4 | Confident | 77.3 | Confident | 7 Ų | 7 | 83.9 Ų | 83.9 | 6% | 0.058 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L65 L72 A76 E77 L83 E84 | L65-A80 HydrophobicContact CD1-CB 3.98Å; L72-A80 HydrophobicContact CD2-CB 4.03Å; A76-A80 PolarHBondContact O-N 2.8Å; E77-A80 PolarHBondContact O-N 3.29Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-E84 PolarHBondContact O-N 3.06Å |
| 81 | Q | 81.9 | Confident | 77.8 | Confident | 123 Ų | 123 | 82.4 Ų | 82.4 | 58% | 0.575 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.6 | -40.1 | 178 | -167.6 | 168.5 | 9.6 | 0 | 0 | 112.4 | E77 G78 L83 E84 N85 | E77-Q81 WeakPolarHBondContact O-CB 3.35Å; E77-Q81 PolarHBondContact O-N 2.91Å; G78-Q81 PolarHBondContact O-N 2.94Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-E84 PolarHBondContact O-N 2.93Å; Q81-N85 PolarHBondContact O-N 3.37Å |
| 82 | E | 83.8 | Confident | 78.3 | Confident | 98 Ų | 98 | 79.6 Ų | 79.6 | 46% | 0.458 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 171.6 | 178 | 53.6 | -152.3 | 0 | 0 | 111.3 | G78 E84 N85 Q86 | G78-E82 PolarHBondContact O-N 3Å; E82-E84 PolarHBondContact O-N 3.18Å; E82-N85 PolarHBondContact O-N 3.27Å; E82-Q86 WeakPolarHBondContact O-CG 3.47Å; E82-Q86 PolarHBondContact O-N 2.96Å; E82-Q86 PolarHBondContact OE1-NE2 2.9Å |
| 83 | L | 82.4 | Confident | 78.9 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 175.1 | -173.4 | 64.1 | 0 | 0 | 0 | 112.2 | L65 A79 A80 Q81 Q86 M87 | L65-L83 HydrophobicContact CD1-CD2 4.23Å; L65-L83 HydrophobicContact CD2-CB 4.46Å; L65-L83 HydrophobicContact CD2-CD2 4.1Å; L65-L83 HydrophobicContact CD2-CG 4.32Å; A79-L83 WeakPolarHBondContact O-CB 3.48Å; A79-L83 PolarHBondContact O-N 2.91Å; A80-L83 PolarHBondContact O-N 3.09Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; L83-Q86 PolarHBondContact O-N 2.74Å; L83-M87 HydrophobicContact CD1-CE 4.4Å; L83-M87 HydrophobicContact CD2-CE 4.13Å; L83-M87 HydrophobicContact CG-CE 3.88Å; L83-M87 WeakPolarHBondContact O-CG 3.43Å; L83-M87 PolarHBondContact O-N 3.47Å |
| 84 | E | 82.7 | Confident | 79.5 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 173 | -78.4 | -175.5 | -177.1 | 0 | 0 | 112.5 | L65 K69 A80 Q81 E82 M87 K88 | L65-E84 HydrophobicContact CD2-CG 3.55Å; K69-E84 VanDerWaalsContact NZ-CD 3.35Å; K69-E84 IonicContact NZ-OE1 2.77Å; K69-E84 PolarHBondContact NZ-OE1 2.79Å; K69-E84 IonicContact NZ-OE2 3.26Å; K69-E84 PolarHBondContact NZ-OE2 3.49Å; A80-E84 PolarHBondContact O-N 3.06Å; Q81-E84 PolarHBondContact O-N 2.93Å; E82-E84 PolarHBondContact O-N 3.18Å; E84-M87 WeakPolarHBondContact O-CB 3.47Å; E84-M87 PolarHBondContact O-N 3.45Å; E84-K88 WeakPolarHBondContact O-CG 3.35Å; E84-K88 PolarHBondContact O-N 3.01Å |
| 85 | N | 85.7 | Confident | 79.9 | Confident | 77 Ų | 77 | 80.7 Ų | 80.7 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 177.5 | -70.8 | -19.4 | 0 | 0 | 0 | 111.2 | Q81 E82 M87 K88 E89 | Q81-N85 PolarHBondContact O-N 3.37Å; E82-N85 PolarHBondContact O-N 3.27Å; N85-M87 VanDerWaalsContact C-N 3.28Å; N85-M87 PolarHBondContact O-N 3.35Å; N85-K88 PolarHBondContact O-N 3.42Å; N85-K88 VanDerWaalsContact O-N 3.11Å; N85-E89 PolarHBondContact O-N 2.86Å |
| 86 | Q | 84.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 174.6 | -68.4 | -178.2 | 18.3 | 0 | 0 | 112.4 | E82 L83 R90 | E82-Q86 WeakPolarHBondContact O-CG 3.47Å; E82-Q86 PolarHBondContact O-N 2.96Å; E82-Q86 PolarHBondContact OE1-NE2 2.9Å; L83-Q86 PolarHBondContact O-N 2.74Å; Q86-R90 WeakPolarHBondContact O-CB 3.39Å; Q86-R90 VanDerWaalsContact O-CG 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.14Å; Q86-R90 PolarHBondContact O-N 3.39Å |
| 87 | M | 83.4 | Confident | 81 | Confident | 12 Ų | 12 | 79.8 Ų | 79.8 | 6% | 0.059 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 172.6 | -71.8 | 171 | 175.4 | 0 | 0 | 111.8 | L58 L61 A62 L65 L83 E84 N85 Q91 | L58-M87 HydrophobicContact CD1-CB 4.09Å; L58-M87 HydrophobicContact CD1-CG 3.66Å; L58-M87 HydrophobicContact CG-CB 4.38Å; L58-M87 HydrophobicContact CG-CG 4.32Å; L61-M87 HydrophobicContact CB-CE 3.83Å; L61-M87 HydrophobicContact CD2-CE 3.39Å; L61-M87 HydrophobicContact CG-CE 3.32Å; A62-M87 HydrophobicContact CB-SD 4.07Å; L65-M87 HydrophobicContact CD2-CE 4.14Å; L65-M87 HydrophobicContact CD2-SD 4.2Å; L83-M87 HydrophobicContact CD1-CE 4.4Å; L83-M87 HydrophobicContact CD2-CE 4.13Å; L83-M87 HydrophobicContact CG-CE 3.88Å; L83-M87 WeakPolarHBondContact O-CG 3.43Å; L83-M87 PolarHBondContact O-N 3.47Å; E84-M87 WeakPolarHBondContact O-CB 3.47Å; E84-M87 PolarHBondContact O-N 3.45Å; N85-M87 VanDerWaalsContact C-N 3.28Å; N85-M87 PolarHBondContact O-N 3.35Å; M87-Q91 WeakPolarHBondContact O-CG 3.3Å; M87-Q91 PolarHBondContact O-N 2.99Å |
| 88 | K | 84.8 | Confident | 81 | Confident | 128 Ų | 128 | 77.4 Ų | 77.4 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 178.6 | -73 | 172.4 | -175.4 | 169.1 | 0 | 112.1 | E84 N85 Q91 G92 | E84-K88 WeakPolarHBondContact O-CG 3.35Å; E84-K88 PolarHBondContact O-N 3.01Å; N85-K88 PolarHBondContact O-N 3.42Å; N85-K88 VanDerWaalsContact O-N 3.11Å; K88-Q91 WeakPolarHBondContact O-CB 3.49Å; K88-Q91 PolarHBondContact O-N 3.32Å; K88-G92 PolarHBondContact O-N 3.32Å |
| 89 | E | 86 | Confident | 80.9 | Confident | 135 Ų | 135 | 78 Ų | 78 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.6 | -46.5 | 176.1 | -172.8 | -177.9 | -164.8 | 0 | 0 | 111.2 | N85 Q91 G92 L93 | N85-E89 PolarHBondContact O-N 2.86Å; E89-Q91 VanDerWaalsContact C-N 3.31Å; E89-Q91 PolarHBondContact O-N 3.19Å; E89-G92 PolarHBondContact O-N 3.5Å; E89-G92 VanDerWaalsContact O-N 3.11Å; E89-L93 PolarHBondContact O-N 3.28Å |
| 90 | R | 81.6 | Confident | 80.5 | Confident | 131 Ų | 131 | 84.8 Ų | 84.8 | 49% | 0.494 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 174.9 | -71.9 | -176.5 | -174.8 | -178 | 5.7 | 112.9 | L58 Q86 L93 F94 | L58-R90 HydrophobicContact CD2-CB 4.34Å; Q86-R90 WeakPolarHBondContact O-CB 3.39Å; Q86-R90 VanDerWaalsContact O-CG 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.14Å; Q86-R90 PolarHBondContact O-N 3.39Å; R90-L93 PolarHBondContact O-N 2.95Å; R90-F94 HydrophobicContact CB-CE2 4.28Å; R90-F94 WeakPolarHBondContact O-CD2 3.38Å; R90-F94 WeakPolarHBondContact O-CE2 3.48Å; R90-F94 WeakPolarHBondContact O-CG 3.35Å; R90-F94 PolarHBondContact O-N 2.94Å |
| 91 | Q | 81 | Confident | 80.3 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 171.9 | -78.7 | -177.2 | -4.6 | 0 | 0 | 112.4 | L58 M87 K88 E89 F94 F95 | L58-Q91 HydrophobicContact CD2-CG 3.57Å; M87-Q91 WeakPolarHBondContact O-CG 3.3Å; M87-Q91 PolarHBondContact O-N 2.99Å; K88-Q91 WeakPolarHBondContact O-CB 3.49Å; K88-Q91 PolarHBondContact O-N 3.32Å; E89-Q91 VanDerWaalsContact C-N 3.31Å; E89-Q91 PolarHBondContact O-N 3.19Å; Q91-F94 PolarHBondContact O-N 3.02Å; Q91-F95 PolarHBondContact O-N 3.48Å |
| 92 | G | 80.6 | Confident | 79.1 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K88 E89 F94 F95 D96 | K88-G92 PolarHBondContact O-N 3.32Å; E89-G92 PolarHBondContact O-N 3.5Å; E89-G92 VanDerWaalsContact O-N 3.11Å; G92-F94 VanDerWaalsContact C-N 3.32Å; G92-F94 PolarHBondContact O-N 3.36Å; G92-F95 WeakPolarHBondContact O-CB 3.36Å; G92-F95 PolarHBondContact O-N 3.45Å; G92-D96 PolarHBondContact O-N 2.99Å |
| 93 | L | 80.9 | Confident | 77.9 | Confident | 98 Ų | 98 | 85.6 Ų | 85.6 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.1 | -71.4 | 166.9 | 0 | 0 | 0 | 112.8 | E89 R90 F95 D96 M97 | E89-L93 PolarHBondContact O-N 3.28Å; R90-L93 PolarHBondContact O-N 2.95Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-D96 PolarHBondContact O-N 3.37Å; L93-M97 WeakPolarHBondContact O-CB 3.36Å; L93-M97 VanDerWaalsContact O-CG 3.27Å; L93-M97 WeakPolarHBondContact O-CG 3.39Å; L93-M97 PolarHBondContact O-N 3.21Å |
| 94 | F | 81.5 | Confident | 76.6 | Confident | 22 Ų | 22 | 91.6 Ų | 91.6 | 10% | 0.096 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.9 | -33.3 | 174.2 | -66.8 | -41.3 | 0 | 0 | 0 | 113 | I51 Q54 L58 R90 Q91 G92 M97 E98 | I51-F94 HydrophobicContact CG1-CD1 4.26Å; I51-F94 HydrophobicContact CG2-CB 4.1Å; I51-F94 HydrophobicContact CG2-CD1 4.13Å; I51-F94 HydrophobicContact CG2-CG 4.22Å; Q54-F94 HydrophobicContact CB-CE1 4.3Å; Q54-F94 HydrophobicContact CB-CE2 4.04Å; Q54-F94 HydrophobicContact CB-CZ 3.74Å; Q54-F94 HydrophobicContact CG-CZ 4.22Å; L58-F94 HydrophobicContact CD2-CE2 4.31Å; R90-F94 HydrophobicContact CB-CE2 4.28Å; R90-F94 WeakPolarHBondContact O-CD2 3.38Å; R90-F94 WeakPolarHBondContact O-CE2 3.48Å; R90-F94 WeakPolarHBondContact O-CG 3.35Å; R90-F94 PolarHBondContact O-N 2.94Å; Q91-F94 PolarHBondContact O-N 3.02Å; G92-F94 VanDerWaalsContact C-N 3.32Å; G92-F94 PolarHBondContact O-N 3.36Å; F94-M97 HydrophobicContact CD1-SD 4.32Å; F94-M97 PolarHBondContact O-N 3.28Å; F94-E98 VanDerWaalsContact O-CB 3.31Å; F94-E98 WeakPolarHBondContact O-CB 3.27Å; F94-E98 VanDerWaalsContact O-CG 3.29Å; F94-E98 WeakPolarHBondContact O-CG 3.34Å; F94-E98 PolarHBondContact O-N 3.38Å |
| 95 | F | 75.6 | Confident | 75.3 | Confident | 133 Ų | 133 | 92.3 Ų | 92.3 | 58% | 0.583 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 175.2 | -177.5 | -96 | 0 | 0 | 0 | 111.4 | Q91 G92 L93 E98 A99 | Q91-F95 PolarHBondContact O-N 3.48Å; G92-F95 WeakPolarHBondContact O-CB 3.36Å; G92-F95 PolarHBondContact O-N 3.45Å; L93-F95 VanDerWaalsContact C-N 3.34Å; F95-E98 PolarHBondContact O-N 2.74Å; F95-A99 PolarHBondContact O-N 2.9Å |
| 96 | D | 78.7 | Confident | 73.8 | Confident | 91 Ų | 91 | 90.9 Ų | 90.9 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.9 | -69 | -19.3 | 0 | 0 | 0 | 111 | G92 L93 E98 A99 Y100 | G92-D96 PolarHBondContact O-N 2.99Å; L93-D96 PolarHBondContact O-N 3.37Å; D96-E98 PolarHBondContact O-N 3.12Å; D96-A99 VanDerWaalsContact O-CB 3.3Å; D96-A99 WeakPolarHBondContact O-CB 3.18Å; D96-A99 PolarHBondContact O-N 3.23Å; D96-A99 VanDerWaalsContact O-N 3.09Å; D96-Y100 WeakPolarHBondContact O-CD2 3.23Å; D96-Y100 WeakPolarHBondContact O-CE2 3.27Å |
| 97 | M | 78.2 | Confident | 72.1 | Confident | 108 Ų | 108 | 94.8 Ų | 94.8 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.7 | -73.7 | -179.3 | 154.7 | 0 | 0 | 113 | I51 L93 F94 A99 Y100 | I51-M97 HydrophobicContact CD1-CB 3.87Å; L93-M97 WeakPolarHBondContact O-CB 3.36Å; L93-M97 VanDerWaalsContact O-CG 3.27Å; L93-M97 WeakPolarHBondContact O-CG 3.39Å; L93-M97 PolarHBondContact O-N 3.21Å; F94-M97 HydrophobicContact CD1-SD 4.32Å; F94-M97 PolarHBondContact O-N 3.28Å; M97-A99 VanDerWaalsContact C-N 3.25Å; M97-A99 PolarHBondContact O-N 2.99Å; M97-Y100 PolarHBondContact O-N 3.42Å |
| 98 | E | 74.3 | Confident | 70.5 | Confident | 54 Ų | 54 | 101.6 Ų | 101.6 | 25% | 0.252 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -24.4 | 174.3 | -80.1 | 178 | -178.9 | 0 | 0 | 112.2 | I51 K55 F94 F95 D96 Y100 L101 | I51-E98 HydrophobicContact CG2-CG 4Å; K55-E98 IonicContact NZ-OE1 3.08Å; K55-E98 PolarHBondContact NZ-OE1 2.91Å; K55-E98 IonicContact NZ-OE2 2.69Å; K55-E98 PolarHBondContact NZ-OE2 3.25Å; K55-E98 VanDerWaalsContact NZ-OE2 3.08Å; F94-E98 VanDerWaalsContact O-CB 3.31Å; F94-E98 WeakPolarHBondContact O-CB 3.27Å; F94-E98 VanDerWaalsContact O-CG 3.29Å; F94-E98 WeakPolarHBondContact O-CG 3.34Å; F94-E98 PolarHBondContact O-N 3.38Å; F95-E98 PolarHBondContact O-N 2.74Å; D96-E98 PolarHBondContact O-N 3.12Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-L101 PolarHBondContact O-N 2.67Å |
| 99 | A | 74 | Confident | 69.1 | Low | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.6 | -30.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | F95 D96 M97 | F95-A99 PolarHBondContact O-N 2.9Å; D96-A99 VanDerWaalsContact O-CB 3.3Å; D96-A99 WeakPolarHBondContact O-CB 3.18Å; D96-A99 PolarHBondContact O-N 3.23Å; D96-A99 VanDerWaalsContact O-N 3.09Å; M97-A99 VanDerWaalsContact C-N 3.25Å; M97-A99 PolarHBondContact O-N 2.99Å |
| 100 | Y | 70.3 | Confident | 67.5 | Low | 211 Ų | 211 | 94.8 Ų | 94.8 | 83% | 0.827 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -84.3 | -12 | 175.3 | -62.4 | -74.8 | 0 | 0 | 0 | 113.5 | D96 M97 E98 | D96-Y100 WeakPolarHBondContact O-CD2 3.23Å; D96-Y100 WeakPolarHBondContact O-CE2 3.27Å; M97-Y100 PolarHBondContact O-N 3.42Å; E98-Y100 VanDerWaalsContact C-N 3.35Å |
| 101 | L | 74 | Confident | 66.1 | Low | 28 Ų | 28 | 94.1 Ų | 94.1 | 15% | 0.147 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -88.6 | 150.2 | 177.4 | -74.8 | 160.5 | 0 | 0 | 0 | 110.8 | Q44 C47 I51 E98 K103 | Q44-L101 HydrophobicContact CB-CD2 4.33Å; Q44-L101 HydrophobicContact CG-CD2 4.34Å; C47-L101 HydrophobicContact CB-CD1 4.32Å; C47-L101 HydrophobicContact CB-CD2 4.04Å; I51-L101 HydrophobicContact CD1-CD1 3.44Å; I51-L101 VanDerWaalsContact CD1-CD1 3.44Å; E98-L101 PolarHBondContact O-N 2.67Å; L101-K103 PolarHBondContact O-N 3.05Å |
| 102 | P | 57.1 | Low | 64.4 | Low | 67 Ų | 67 | 90.7 Ų | 90.7 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | trans | -56.9 | 113.9 | 176.3 | -21.2 | 31.2 | 0 | 0 | 0 | 110.9 | K104 | P102-K104 PolarHBondContact O-N 3.45Š| ||
| 103 | K | 59.2 | Low | 62.9 | Low | 149 Ų | 149 | 91.4 Ų | 91.4 | 65% | 0.648 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 130.4 | 175.4 | -82.1 | -176.4 | 178.3 | 174 | 0 | 109.6 | L101 N105 | L101-K103 PolarHBondContact O-N 3.05Å; K103-N105 PolarHBondContact O-N 3.34Å |
| 104 | K | 55.3 | Low | 61.4 | Low | 190 Ų | 190 | 87 Ų | 87 | 83% | 0.826 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 127.2 | 171.5 | -58.9 | -179.7 | -176.6 | 177.5 | 0 | 108.2 | P102 | P102-K104 PolarHBondContact O-N 3.45Š|
| 105 | N | 54.1 | Low | 59.7 | Low | 54 Ų | 54 | 91.4 Ų | 91.4 | 29% | 0.289 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 138.8 | 175.1 | -67.3 | -37.7 | 0 | 0 | 0 | 110.1 | K103 L109 V116 | K103-N105 PolarHBondContact O-N 3.34Å; N105-L109 HydrophobicContact CB-CB 4.36Å; N105-L109 HydrophobicContact CB-CD2 3.98Å; N105-V116 PolarHBondContact ND2-O 3.41Å; N105-V116 VanDerWaalsContact ND2-O 3.09Å |
| 106 | G | 53.9 | Low | 58.5 | Low | 48 Ų | 48 | 87.6 Ų | 87.6 | 50% | 0.495 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 156.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y108 L109 S110 | G106-Y108 VanDerWaalsContact C-N 3.32Å; G106-Y108 PolarHBondContact O-N 3.06Å; G106-L109 WeakPolarHBondContact O-CA 3.13Å; G106-L109 WeakPolarHBondContact O-CB 3.24Å; G106-L109 PolarHBondContact O-N 2.77Å; G106-S110 PolarHBondContact O-N 2.87Å |
| 107 | L | 50.9 | Low | 56.6 | Low | 154 Ų | 154 | 86.8 Ų | 86.8 | 81% | 0.806 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -49.9 | -46.8 | -173.4 | -74.8 | 166.6 | 0 | 0 | 0 | 113.3 | L109 S110 L111 | L107-L109 PolarHBondContact O-N 3.15Å; L107-S110 WeakPolarHBondContact CA-OG 3.49Å; L107-S110 PolarHBondContact O-N 2.84Å; L107-S110 PolarHBondContact O-OG 2.88Å; L107-L111 WeakPolarHBondContact O-CB 3.28Å; L107-L111 PolarHBondContact O-N 2.84Å |
| 108 | Y | 49.3 | Very low | 54.8 | Low | 154 Ų | 154 | 87.7 Ų | 87.7 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 177.6 | 179.8 | -99.9 | 0 | 0 | 0 | 112.5 | G106 S110 L111 V112 W170 | G106-Y108 VanDerWaalsContact C-N 3.32Å; G106-Y108 PolarHBondContact O-N 3.06Å; Y108-S110 VanDerWaalsContact C-N 3.35Å; Y108-S110 PolarHBondContact O-N 3.5Å; Y108-L111 PolarHBondContact O-N 3.4Å; Y108-V112 HydrophobicContact CD2-CG2 4.34Å; Y108-V112 HydrophobicContact CE1-CG2 4.37Å; Y108-V112 HydrophobicContact CE2-CG2 4.18Å; Y108-V112 WeakPolarHBondContact O-CB 3.34Å; Y108-V112 VanDerWaalsContact O-CG2 3.3Å; Y108-V112 WeakPolarHBondContact O-CG2 3.42Å; Y108-V112 PolarHBondContact O-N 3.33Å; Y108-W170 AromaticContact CE2-CH2 3.71Å; Y108-W170 HydrophobicContact CE2-CH2 3.71Å; Y108-W170 HydrophobicContact CE2-CZ2 4.27Å; Y108-W170 AromaticContact CZ-CH2 3.66Å; Y108-W170 WeakPolarHBondContact OH-CH2 3.31Å |
| 109 | L | 55.4 | Low | 53.1 | Low | 78 Ų | 78 | 88.4 Ų | 88.4 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 178 | -155.7 | 78.4 | 0 | 0 | 0 | 111.1 | N105 G106 L107 L111 L113 | N105-L109 HydrophobicContact CB-CB 4.36Å; N105-L109 HydrophobicContact CB-CD2 3.98Å; G106-L109 WeakPolarHBondContact O-CA 3.13Å; G106-L109 WeakPolarHBondContact O-CB 3.24Å; G106-L109 PolarHBondContact O-N 2.77Å; L107-L109 PolarHBondContact O-N 3.15Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L113 HydrophobicContact CB-CD1 4.49Å; L109-L113 HydrophobicContact CD1-CD1 3.27Å; L109-L113 HydrophobicContact CG-CD1 3.61Å; L109-L113 WeakPolarHBondContact O-CA 3.25Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 PolarHBondContact O-N 2.96Å |
| 110 | S | 52.7 | Low | 51.6 | Low | 42 Ų | 42 | 88.1 Ų | 88.1 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70 | -29.9 | 174.7 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | G106 L107 Y108 G114 | G106-S110 PolarHBondContact O-N 2.87Å; L107-S110 WeakPolarHBondContact CA-OG 3.49Å; L107-S110 PolarHBondContact O-N 2.84Å; L107-S110 PolarHBondContact O-OG 2.88Å; Y108-S110 VanDerWaalsContact C-N 3.35Å; Y108-S110 PolarHBondContact O-N 3.5Å; S110-G114 CarbonylContact O-C 3.53Å; S110-G114 WeakPolarHBondContact O-CA 3.33Å; S110-G114 PolarHBondContact O-N 3.22Å; S110-G114 VanDerWaalsContact O-N 3.15Å |
| 111 | L | 51.8 | Low | 50.5 | Low | 117 Ų | 117 | 79.8 Ų | 79.8 | 61% | 0.613 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -77.5 | -39.3 | 178.9 | -173.2 | 67.8 | 0 | 0 | 0 | 111.2 | L107 Y108 L109 | L107-L111 WeakPolarHBondContact O-CB 3.28Å; L107-L111 PolarHBondContact O-N 2.84Å; Y108-L111 PolarHBondContact O-N 3.4Å; L109-L111 VanDerWaalsContact C-N 3.35Å |
| 112 | V | 44.6 | Very low | 48.9 | Very low | 14 Ų | 14 | 79.8 Ų | 79.8 | 9% | 0.085 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -86.2 | -47.2 | -178.2 | 177.8 | 0 | 0 | 0 | 0 | 112 | Y108 W170 T174 | Y108-V112 HydrophobicContact CD2-CG2 4.34Å; Y108-V112 HydrophobicContact CE1-CG2 4.37Å; Y108-V112 HydrophobicContact CE2-CG2 4.18Å; Y108-V112 WeakPolarHBondContact O-CB 3.34Å; Y108-V112 VanDerWaalsContact O-CG2 3.3Å; Y108-V112 WeakPolarHBondContact O-CG2 3.42Å; Y108-V112 PolarHBondContact O-N 3.33Å; V112-W170 HydrophobicContact CG2-CH2 3.78Å; V112-W170 HydrophobicContact CG2-CZ2 3.46Å; V112-W170 VanDerWaalsContact CG2-CZ2 3.46Å; V112-T174 HydrophobicContact CG1-CG2 4.35Å; V112-T174 VanDerWaalsContact O-CG2 3.27Å; V112-T174 WeakPolarHBondContact O-CG2 2.92Å |
| 113 | L | 48.8 | Very low | 48.2 | Very low | 49 Ų | 49 | 83.3 Ų | 83.3 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -97.6 | -5.7 | -175.8 | -64.9 | 110.1 | 0 | 0 | 0 | 114 | L109 V116 I177 I181 | L109-L113 HydrophobicContact CB-CD1 4.49Å; L109-L113 HydrophobicContact CD1-CD1 3.27Å; L109-L113 HydrophobicContact CG-CD1 3.61Å; L109-L113 WeakPolarHBondContact O-CA 3.25Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 PolarHBondContact O-N 2.96Å; L113-V116 HydrophobicContact CB-CG2 3.58Å; L113-V116 WeakPolarHBondContact O-CG2 3.47Å; L113-I177 HydrophobicContact CD2-CG2 3.45Å; L113-I177 VanDerWaalsContact CD2-CG2 3.45Å; L113-I177 HydrophobicContact CG-CG2 3.91Å; L113-I181 HydrophobicContact CB-CD1 4.28Å; L113-I181 HydrophobicContact CD2-CD1 4.1Å |
| 114 | G | 49.9 | Very low | 47.4 | Very low | 7 Ų | 7 | 84.3 Ų | 84.3 | 7% | 0.072 | 44% | 0.444 | C | S | . | . | trans | 71.2 | 178.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S110 V116 | S110-G114 CarbonylContact O-C 3.53Å; S110-G114 WeakPolarHBondContact O-CA 3.33Å; S110-G114 PolarHBondContact O-N 3.22Å; S110-G114 VanDerWaalsContact O-N 3.15Å; G114-V116 WeakPolarHBondContact O-CG2 3.29Å; G114-V116 PolarHBondContact O-N 3.44Å | ||
| 115 | N | 46.3 | Very low | 46.8 | Very low | 114 Ų | 114 | 77.2 Ų | 77.2 | 61% | 0.61 | 42% | 0.421 | S | S | * | . | trans | -68.8 | 81.3 | 176.8 | -169.6 | 37.3 | 0 | 0 | 0 | 110.2 | N117 | N115-N117 PolarHBondContact ND2-ND2 3.23Å; N115-N117 PolarHBondContact O-N 3.42Å; N115-N117 PolarHBondContact OD1-ND2 2.88Å | ||
| 116 | V | 50 | Low | 46.1 | Very low | 52 Ų | 52 | 81.2 Ų | 81.2 | 32% | 0.315 | 44% | 0.436 | S | S | . | . | trans | -71.8 | 70.6 | 174.3 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | N105 L113 G114 V118 I181 | N105-V116 PolarHBondContact ND2-O 3.41Å; N105-V116 VanDerWaalsContact ND2-O 3.09Å; L113-V116 HydrophobicContact CB-CG2 3.58Å; L113-V116 WeakPolarHBondContact O-CG2 3.47Å; G114-V116 WeakPolarHBondContact O-CG2 3.29Å; G114-V116 PolarHBondContact O-N 3.44Å; V116-V118 HydrophobicContact CG1-CG2 4.33Å; V116-I181 HydrophobicContact CG2-CD1 4.02Å | ||
| 117 | N | 39.3 | Very low | 45.5 | Very low | 74 Ų | 74 | 87.1 Ų | 87.1 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | trans | -84.7 | 113.7 | 159.8 | -83.2 | -61.4 | 0 | 0 | 0 | 107.2 | N115 T119 | N115-N117 PolarHBondContact ND2-ND2 3.23Å; N115-N117 PolarHBondContact O-N 3.42Å; N115-N117 PolarHBondContact OD1-ND2 2.88Å; N117-T119 PolarHBondContact O-N 2.87Å | ||
| 118 | V | 39.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 82.3 Ų | 82.3 | 77% | 0.77 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -75.8 | 30.3 | 179.6 | -154.3 | 0 | 0 | 0 | 0 | 112 | V116 | V116-V118 HydrophobicContact CG1-CG2 4.33Š|
| 119 | T | 39.5 | Very low | 44.9 | Very low | 69 Ų | 69 | 78.9 Ų | 78.9 | 42% | 0.423 | 42% | 0.417 | S | S | . | . | trans | -132.1 | 60.6 | 177.3 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | L37 N117 L121 | L37-T119 HydrophobicContact CD1-CG2 4.32Å; N117-T119 PolarHBondContact O-N 2.87Å; T119-L121 PolarHBondContact O-N 3.36Å | ||
| 120 | L | 41.8 | Very low | 44.4 | Very low | 52 Ų | 52 | 81.1 Ų | 81.1 | 27% | 0.272 | 42% | 0.424 | S | S | . | . | trans | -74.3 | 47.6 | 172.1 | -144.7 | 140.4 | 0 | 0 | 0 | 111.1 | Y129 N185 | L120-Y129 HydrophobicContact CD1-CD1 4.29Å; L120-Y129 HydrophobicContact CD1-CD2 3.72Å; L120-Y129 HydrophobicContact CD1-CE1 3.93Å; L120-Y129 HydrophobicContact CD1-CE2 3.3Å; L120-Y129 HydrophobicContact CD1-CG 4.2Å; L120-Y129 VanDerWaalsContact CD1-CZ 3.42Å; L120-Y129 HydrophobicContact CG-CD2 4.23Å; L120-Y129 HydrophobicContact CG-CE2 4.29Å; L120-Y129 HydrophobicContact CG-CG 4.49Å; L120-N185 HydrophobicContact CD1-CB 4.03Å | ||
| 121 | L | 47.6 | Very low | 44.1 | Very low | 37 Ų | 37 | 82.7 Ų | 82.7 | 19% | 0.194 | 43% | 0.429 | C | S | . | . | trans | -119.7 | 19.6 | -158.5 | -129.3 | 122.7 | 0 | 0 | 0 | 116.6 | Y33 R34 L37 T119 | Y33-L121 HydrophobicContact CD1-CD2 3.55Å; Y33-L121 HydrophobicContact CE1-CD1 3.6Å; Y33-L121 HydrophobicContact CE1-CD2 3.09Å; Y33-L121 HydrophobicContact CE1-CG 3.82Å; Y33-L121 HydrophobicContact CE2-CD2 4.43Å; Y33-L121 HydrophobicContact CG-CD2 4.4Å; Y33-L121 WeakPolarHBondContact OH-CD1 3.38Å; R34-L121 HydrophobicContact CG-CD2 3.96Å; L37-L121 HydrophobicContact CB-CB 4.45Å; L37-L121 HydrophobicContact CB-CD2 3.77Å; L37-L121 HydrophobicContact CD1-CB 3.66Å; L37-L121 HydrophobicContact CD1-CD1 3.9Å; L37-L121 HydrophobicContact CD1-CD2 3.69Å; L37-L121 HydrophobicContact CD1-CG 3.91Å; L37-L121 HydrophobicContact CD2-CB 3.37Å; L37-L121 HydrophobicContact CD2-CD2 4.33Å; L37-L121 HydrophobicContact CD2-CG 4.4Å; L37-L121 HydrophobicContact CG-CB 3.95Å; L37-L121 HydrophobicContact CG-CD2 4.08Å; L37-L121 HydrophobicContact CG-CG 4.5Å; T119-L121 PolarHBondContact O-N 3.36Å | ||
| 122 | S | 39.9 | Very low | 44 | Very low | 28 Ų | 28 | 82.4 Ų | 82.4 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | trans | -135.5 | 137.2 | 169.2 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | E38 Q124 A125 K126 | E38-S122 WeakPolarHBondContact OE1-CB 3.34Å; E38-S122 PolarHBondContact OE1-OG 3.15Å; S122-Q124 PolarHBondContact O-N 3.37Å; S122-Q124 VanDerWaalsContact O-N 3.12Å; S122-A125 CarbonylContact O-C 3.58Å; S122-A125 WeakPolarHBondContact O-CA 3.34Å; S122-A125 VanDerWaalsContact O-CB 3.28Å; S122-A125 WeakPolarHBondContact O-CB 3.48Å; S122-A125 PolarHBondContact O-N 3.5Å; S122-K126 PolarHBondContact O-N 3Å | ||
| 123 | K | 42.1 | Very low | 44.2 | Very low | 141 Ų | 141 | 84.4 Ų | 84.4 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.6 | -20 | -179.5 | -84.3 | -179.9 | -179.9 | -175.1 | 0 | 113.2 | K126 | K123-K126 PolarHBondContact O-N 3.44Å |
| 124 | Q | 42.1 | Very low | 44.5 | Very low | 170 Ų | 170 | 87 Ų | 87 | 79% | 0.794 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -75.4 | -30.2 | 170.9 | -167.8 | 162.4 | -7.3 | 0 | 0 | 112 | S122 K126 | S122-Q124 PolarHBondContact O-N 3.37Å; S122-Q124 VanDerWaalsContact O-N 3.12Å; Q124-K126 VanDerWaalsContact C-N 3.34Å |
| 125 | A | 42.5 | Very low | 44.6 | Very low | 41 Ų | 41 | 90.3 Ų | 90.3 | 34% | 0.339 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.1 | -12 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S122 Y129 | S122-A125 CarbonylContact O-C 3.58Å; S122-A125 WeakPolarHBondContact O-CA 3.34Å; S122-A125 VanDerWaalsContact O-CB 3.28Å; S122-A125 WeakPolarHBondContact O-CB 3.48Å; S122-A125 PolarHBondContact O-N 3.5Å; A125-Y129 WeakPolarHBondContact O-CA 3.45Å; A125-Y129 WeakPolarHBondContact O-CB 3.47Å; A125-Y129 PolarHBondContact O-N 3.11Å |
| 126 | K | 40.7 | Very low | 44.9 | Very low | 138 Ų | 138 | 86.9 Ų | 86.9 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -70.4 | -35 | 171.3 | -87.8 | -173.5 | 173.9 | -175.9 | 0 | 112.9 | S122 K123 Q124 K130 | S122-K126 PolarHBondContact O-N 3Å; K123-K126 PolarHBondContact O-N 3.44Å; Q124-K126 VanDerWaalsContact C-N 3.34Å; K126-K130 WeakPolarHBondContact O-CB 3.23Å; K126-K130 PolarHBondContact O-N 3.25Å; K126-K130 VanDerWaalsContact O-N 3.12Å |
| 127 | F | 40.9 | Very low | 45 | Very low | 172 Ų | 172 | 88.9 Ų | 88.9 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.8 | -42.1 | 175.4 | -96 | -79.2 | 0 | 0 | 0 | 111.7 | K130 D131 | F127-K130 PolarHBondContact O-N 3.33Å; F127-D131 PolarHBondContact O-N 3.04Å |
| 128 | A | 46.1 | Very low | 45.8 | Very low | 53 Ų | 53 | 90.1 Ų | 90.1 | 44% | 0.438 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K130 D131 E132 | A128-K130 VanDerWaalsContact C-N 3.33Å; A128-D131 PolarHBondContact O-N 3.49Å; A128-E132 WeakPolarHBondContact O-CB 3.47Å; A128-E132 WeakPolarHBondContact O-CG 3.47Å; A128-E132 PolarHBondContact O-N 2.7Å |
| 129 | Y | 40.8 | Very low | 46.5 | Very low | 82 Ų | 82 | 91.2 Ų | 91.2 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -30.8 | 174 | -170.2 | -94.7 | 0 | 0 | 0 | 111.8 | L120 A125 Y133 | L120-Y129 HydrophobicContact CD1-CD1 4.29Å; L120-Y129 HydrophobicContact CD1-CD2 3.72Å; L120-Y129 HydrophobicContact CD1-CE1 3.93Å; L120-Y129 HydrophobicContact CD1-CE2 3.3Å; L120-Y129 HydrophobicContact CD1-CG 4.2Å; L120-Y129 VanDerWaalsContact CD1-CZ 3.42Å; L120-Y129 HydrophobicContact CG-CD2 4.23Å; L120-Y129 HydrophobicContact CG-CE2 4.29Å; L120-Y129 HydrophobicContact CG-CG 4.49Å; A125-Y129 WeakPolarHBondContact O-CA 3.45Å; A125-Y129 WeakPolarHBondContact O-CB 3.47Å; A125-Y129 PolarHBondContact O-N 3.11Å; Y129-Y133 WeakPolarHBondContact O-CA 3.39Å; Y129-Y133 WeakPolarHBondContact O-CB 3.14Å; Y129-Y133 PolarHBondContact O-N 2.87Å |
| 130 | K | 44.6 | Very low | 47.3 | Very low | 124 Ų | 124 | 89.6 Ų | 89.6 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 171.6 | -178.5 | 167.3 | 177.1 | 165.5 | 0 | 111.5 | K126 F127 A128 Y133 E134 | K126-K130 WeakPolarHBondContact O-CB 3.23Å; K126-K130 PolarHBondContact O-N 3.25Å; K126-K130 VanDerWaalsContact O-N 3.12Å; F127-K130 PolarHBondContact O-N 3.33Å; A128-K130 VanDerWaalsContact C-N 3.33Å; K130-Y133 PolarHBondContact O-N 3.33Å; K130-E134 WeakPolarHBondContact CE-OE1 3.18Å; K130-E134 WeakPolarHBondContact O-CB 3.34Å; K130-E134 VanDerWaalsContact O-CG 3.32Å; K130-E134 WeakPolarHBondContact O-CG 3.3Å; K130-E134 PolarHBondContact O-N 3.01Å |
| 131 | D | 46 | Very low | 48.1 | Very low | 76 Ų | 76 | 90.5 Ų | 90.5 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 177.7 | -172.3 | 46 | 0 | 0 | 0 | 112.1 | F127 A128 E134 K135 | F127-D131 PolarHBondContact O-N 3.04Å; A128-D131 PolarHBondContact O-N 3.49Å; D131-E134 PolarHBondContact O-N 2.88Å; D131-K135 VanDerWaalsContact O-CB 3.25Å; D131-K135 WeakPolarHBondContact O-CB 3.22Å; D131-K135 WeakPolarHBondContact O-CD 3.19Å; D131-K135 WeakPolarHBondContact O-CG 3.46Å; D131-K135 PolarHBondContact O-N 3Å; D131-K135 VanDerWaalsContact OD2-CE 3.25Å; D131-K135 WeakPolarHBondContact OD2-CE 3.41Å; D131-K135 IonicContact OD2-NZ 2.8Å; D131-K135 PolarHBondContact OD2-NZ 3.12Å |
| 132 | E | 50.3 | Low | 48.9 | Very low | 110 Ų | 110 | 92.3 Ų | 92.3 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.3 | -31.1 | 173.8 | -71.4 | -63.5 | 135.1 | 0 | 0 | 112.3 | A128 K135 F136 | A128-E132 WeakPolarHBondContact O-CB 3.47Å; A128-E132 WeakPolarHBondContact O-CG 3.47Å; A128-E132 PolarHBondContact O-N 2.7Å; E132-K135 IonicContact OE1-NZ 3.44Å; E132-K135 PolarHBondContact OE1-NZ 2.9Å; E132-F136 WeakPolarHBondContact O-CB 3.15Å; E132-F136 PolarHBondContact O-N 3.2Å |
| 133 | Y | 49.3 | Very low | 50 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.9 | -38.3 | 172.4 | -178.1 | -112.6 | 0 | 0 | 0 | 111.9 | Y129 K130 F136 K137 L182 | Y129-Y133 WeakPolarHBondContact O-CA 3.39Å; Y129-Y133 WeakPolarHBondContact O-CB 3.14Å; Y129-Y133 PolarHBondContact O-N 2.87Å; K130-Y133 PolarHBondContact O-N 3.33Å; Y133-F136 PolarHBondContact O-N 2.78Å; Y133-K137 HydrophobicContact CD1-CD 4.3Å; Y133-K137 HydrophobicContact CE1-CD 4Å; Y133-K137 WeakPolarHBondContact O-CB 3.3Å; Y133-K137 WeakPolarHBondContact O-CG 3.45Å; Y133-K137 PolarHBondContact O-N 3.48Å; Y133-K137 VanDerWaalsContact OH-CE 3.31Å; Y133-K137 WeakPolarHBondContact OH-CE 3.48Å; Y133-L182 HydrophobicContact CD2-CD2 4.36Å; Y133-L182 HydrophobicContact CE1-CD2 4.38Å; Y133-L182 HydrophobicContact CE2-CD1 3.77Å; Y133-L182 HydrophobicContact CE2-CD2 3.57Å; Y133-L182 HydrophobicContact CE2-CG 4.04Å; Y133-L182 WeakPolarHBondContact OH-CD1 3.37Å; Y133-L182 WeakPolarHBondContact OH-CD2 3.3Å |
| 134 | E | 53.9 | Low | 50.8 | Low | 102 Ų | 102 | 89.4 Ų | 89.4 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 172.7 | -75.4 | 177.3 | -167.1 | 0 | 0 | 111.2 | K130 D131 K137 L138 | K130-E134 WeakPolarHBondContact CE-OE1 3.18Å; K130-E134 WeakPolarHBondContact O-CB 3.34Å; K130-E134 VanDerWaalsContact O-CG 3.32Å; K130-E134 WeakPolarHBondContact O-CG 3.3Å; K130-E134 PolarHBondContact O-N 3.01Å; D131-E134 PolarHBondContact O-N 2.88Å; E134-K137 WeakPolarHBondContact O-CB 3.25Å; E134-K137 PolarHBondContact O-N 3.2Å; E134-L138 WeakPolarHBondContact O-CB 3.29Å; E134-L138 PolarHBondContact O-N 3.3Å |
| 135 | K | 52.9 | Low | 52 | Low | 77 Ų | 77 | 86.2 Ų | 86.2 | 34% | 0.335 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 170.6 | -76.9 | 166.4 | 178.3 | 163.1 | 0 | 111.8 | D131 E132 L138 Y139 | D131-K135 VanDerWaalsContact O-CB 3.25Å; D131-K135 WeakPolarHBondContact O-CB 3.22Å; D131-K135 WeakPolarHBondContact O-CD 3.19Å; D131-K135 WeakPolarHBondContact O-CG 3.46Å; D131-K135 PolarHBondContact O-N 3Å; D131-K135 VanDerWaalsContact OD2-CE 3.25Å; D131-K135 WeakPolarHBondContact OD2-CE 3.41Å; D131-K135 IonicContact OD2-NZ 2.8Å; D131-K135 PolarHBondContact OD2-NZ 3.12Å; E132-K135 IonicContact OE1-NZ 3.44Å; E132-K135 PolarHBondContact OE1-NZ 2.9Å; K135-L138 CarbonylContact O-C 3.54Å; K135-L138 PolarHBondContact O-N 2.92Å; K135-L138 VanDerWaalsContact O-N 3.16Å; K135-Y139 HydrophobicContact CB-CD2 4.29Å; K135-Y139 HydrophobicContact CB-CE2 4.29Å; K135-Y139 WeakPolarHBondContact O-CB 3.37Å; K135-Y139 WeakPolarHBondContact O-CD2 3.08Å; K135-Y139 PolarHBondContact O-N 3.39Å |
| 136 | F | 52.4 | Low | 53 | Low | 43 Ų | 43 | 88.9 Ų | 88.9 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 176.5 | -179.3 | -134.2 | 0 | 0 | 0 | 112.5 | E132 Y133 L140 R178 | E132-F136 WeakPolarHBondContact O-CB 3.15Å; E132-F136 PolarHBondContact O-N 3.2Å; Y133-F136 PolarHBondContact O-N 2.78Å; F136-L140 WeakPolarHBondContact O-CB 3.35Å; F136-L140 PolarHBondContact O-N 2.99Å; F136-L140 VanDerWaalsContact O-N 3.08Å; F136-R178 HydrophobicContact CE1-CG 4.05Å; F136-R178 VanDerWaalsContact CE1-NH1 3.31Å |
| 137 | K | 52.8 | Low | 53.9 | Low | 94 Ų | 94 | 84.6 Ų | 84.6 | 41% | 0.409 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 168.1 | -81 | 178.7 | 168.8 | -176.7 | 0 | 111.2 | Y133 E134 T141 | Y133-K137 HydrophobicContact CD1-CD 4.3Å; Y133-K137 HydrophobicContact CE1-CD 4Å; Y133-K137 WeakPolarHBondContact O-CB 3.3Å; Y133-K137 WeakPolarHBondContact O-CG 3.45Å; Y133-K137 PolarHBondContact O-N 3.48Å; Y133-K137 VanDerWaalsContact OH-CE 3.31Å; Y133-K137 WeakPolarHBondContact OH-CE 3.48Å; E134-K137 WeakPolarHBondContact O-CB 3.25Å; E134-K137 PolarHBondContact O-N 3.2Å; K137-T141 WeakPolarHBondContact O-CB 3.4Å; K137-T141 PolarHBondContact O-N 3.12Å; K137-T141 PolarHBondContact O-OG1 3.43Å |
| 138 | L | 56 | Low | 54.9 | Low | 99 Ų | 99 | 79.1 Ų | 79.1 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.7 | -43 | -177.7 | -173.1 | 137.7 | 0 | 0 | 0 | 111.8 | E134 K135 T141 I142 | E134-L138 WeakPolarHBondContact O-CB 3.29Å; E134-L138 PolarHBondContact O-N 3.3Å; K135-L138 CarbonylContact O-C 3.54Å; K135-L138 PolarHBondContact O-N 2.92Å; K135-L138 VanDerWaalsContact O-N 3.16Å; L138-T141 PolarHBondContact O-N 2.95Å; L138-I142 HydrophobicContact CD2-CD1 3.39Å; L138-I142 HydrophobicContact CD2-CG1 4.39Å; L138-I142 HydrophobicContact CG-CD1 3.97Å; L138-I142 VanDerWaalsContact O-CB 3.29Å; L138-I142 WeakPolarHBondContact O-CB 3.09Å; L138-I142 WeakPolarHBondContact O-CG1 3.07Å; L138-I142 PolarHBondContact O-N 2.99Å |
| 139 | Y | 53.8 | Low | 55.8 | Low | 151 Ų | 151 | 82.5 Ų | 82.5 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 171.8 | -80.9 | -65.9 | 0 | 0 | 0 | 111.4 | K135 I142 I143 | K135-Y139 HydrophobicContact CB-CD2 4.29Å; K135-Y139 HydrophobicContact CB-CE2 4.29Å; K135-Y139 WeakPolarHBondContact O-CB 3.37Å; K135-Y139 WeakPolarHBondContact O-CD2 3.08Å; K135-Y139 PolarHBondContact O-N 3.39Å; Y139-I142 PolarHBondContact O-N 3.48Å; Y139-I143 VanDerWaalsContact O-CB 3.3Å; Y139-I143 WeakPolarHBondContact O-CB 3.42Å; Y139-I143 WeakPolarHBondContact O-CD1 3.47Å; Y139-I143 WeakPolarHBondContact O-CG1 3.12Å; Y139-I143 PolarHBondContact O-N 3.29Å |
| 140 | L | 57.5 | Low | 56.7 | Low | 35 Ų | 35 | 81.7 Ų | 81.7 | 18% | 0.183 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.9 | -172.8 | 72.8 | 0 | 0 | 0 | 111 | F136 I143 L144 Y171 | F136-L140 WeakPolarHBondContact O-CB 3.35Å; F136-L140 PolarHBondContact O-N 2.99Å; F136-L140 VanDerWaalsContact O-N 3.08Å; L140-I143 PolarHBondContact O-N 3.42Å; L140-L144 HydrophobicContact CD1-CD1 4.41Å; L140-L144 HydrophobicContact CD2-CD1 4.37Å; L140-L144 HydrophobicContact CG-CD1 3.78Å; L140-L144 WeakPolarHBondContact O-CB 3.21Å; L140-L144 WeakPolarHBondContact O-CD1 3.41Å; L140-L144 WeakPolarHBondContact O-CG 2.92Å; L140-L144 PolarHBondContact O-N 2.98Å; L140-Y171 HydrophobicContact CD1-CD2 4.45Å; L140-Y171 HydrophobicContact CD1-CE2 4.41Å; L140-Y171 HydrophobicContact CD2-CD2 4.4Å; L140-Y171 HydrophobicContact CD2-CE2 3.64Å; L140-Y171 HydrophobicContact CG-CE2 4.09Å |
| 141 | T | 56.9 | Low | 57.3 | Low | 71 Ų | 71 | 77.3 Ų | 77.3 | 44% | 0.436 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 179 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | K137 L138 L144 I145 | K137-T141 WeakPolarHBondContact O-CB 3.4Å; K137-T141 PolarHBondContact O-N 3.12Å; K137-T141 PolarHBondContact O-OG1 3.43Å; L138-T141 PolarHBondContact O-N 2.95Å; T141-L144 PolarHBondContact O-N 2.87Å; T141-I145 HydrophobicContact CG2-CD1 3.8Å; T141-I145 HydrophobicContact CG2-CG1 4.42Å; T141-I145 WeakPolarHBondContact O-CB 3.22Å; T141-I145 WeakPolarHBondContact O-CG1 3.33Å; T141-I145 PolarHBondContact O-N 3.48Å |
| 142 | I | 64.9 | Low | 58 | Low | 75 Ų | 75 | 84.8 Ų | 84.8 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.7 | -73.1 | 172 | 0 | 0 | 0 | 110.4 | L138 Y139 L144 I145 L146 | L138-I142 HydrophobicContact CD2-CD1 3.39Å; L138-I142 HydrophobicContact CD2-CG1 4.39Å; L138-I142 HydrophobicContact CG-CD1 3.97Å; L138-I142 VanDerWaalsContact O-CB 3.29Å; L138-I142 WeakPolarHBondContact O-CB 3.09Å; L138-I142 WeakPolarHBondContact O-CG1 3.07Å; L138-I142 PolarHBondContact O-N 2.99Å; Y139-I142 PolarHBondContact O-N 3.48Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 3.17Å; I142-I145 PolarHBondContact O-N 3.28Å; I142-L146 HydrophobicContact CG2-CD1 3.78Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 VanDerWaalsContact O-CB 3.31Å; I142-L146 WeakPolarHBondContact O-CB 3.39Å; I142-L146 WeakPolarHBondContact O-CG 3.24Å; I142-L146 PolarHBondContact O-N 2.83Å |
| 143 | I | 63.1 | Low | 58.4 | Low | 74 Ų | 74 | 86.9 Ų | 86.9 | 38% | 0.379 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.5 | -70.1 | 166.1 | 0 | 0 | 0 | 110.3 | Y139 L140 L146 I147 | Y139-I143 VanDerWaalsContact O-CB 3.3Å; Y139-I143 WeakPolarHBondContact O-CB 3.42Å; Y139-I143 WeakPolarHBondContact O-CD1 3.47Å; Y139-I143 WeakPolarHBondContact O-CG1 3.12Å; Y139-I143 PolarHBondContact O-N 3.29Å; L140-I143 PolarHBondContact O-N 3.42Å; I143-L146 PolarHBondContact O-N 3.08Å; I143-I147 HydrophobicContact CG2-CD1 3.49Å; I143-I147 VanDerWaalsContact CG2-CD1 3.49Å; I143-I147 HydrophobicContact CG2-CG1 4.32Å; I143-I147 WeakPolarHBondContact O-CB 3.38Å; I143-I147 WeakPolarHBondContact O-CD1 3.45Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.43Å |
| 144 | L | 59.1 | Low | 58.7 | Low | 33 Ų | 33 | 89.5 Ų | 89.5 | 17% | 0.173 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.9 | -81.8 | 149.7 | 0 | 0 | 0 | 112.9 | L140 T141 I142 S148 Y171 | L140-L144 HydrophobicContact CD1-CD1 4.41Å; L140-L144 HydrophobicContact CD2-CD1 4.37Å; L140-L144 HydrophobicContact CG-CD1 3.78Å; L140-L144 WeakPolarHBondContact O-CB 3.21Å; L140-L144 WeakPolarHBondContact O-CD1 3.41Å; L140-L144 WeakPolarHBondContact O-CG 2.92Å; L140-L144 PolarHBondContact O-N 2.98Å; T141-L144 PolarHBondContact O-N 2.87Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 3.17Å; L144-S148 VanDerWaalsContact O-CB 3.22Å; L144-S148 WeakPolarHBondContact O-CB 3.45Å; L144-S148 PolarHBondContact O-N 2.92Å; L144-S148 PolarHBondContact O-OG 2.89Å; L144-Y171 HydrophobicContact CD1-CD2 3.77Å; L144-Y171 HydrophobicContact CD1-CE2 3.25Å; L144-Y171 HydrophobicContact CD2-CD2 3.98Å; L144-Y171 HydrophobicContact CD2-CE2 4.17Å; L144-Y171 HydrophobicContact CD2-CG 4.16Å; L144-Y171 HydrophobicContact CG-CD2 4.36Å; L144-Y171 HydrophobicContact CG-CE2 4.27Å |
| 145 | I | 67.4 | Low | 58.4 | Low | 104 Ų | 104 | 89.8 Ų | 89.8 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 176.9 | -71.9 | 167.6 | 0 | 0 | 0 | 110.2 | T141 I142 S148 F149 | T141-I145 HydrophobicContact CG2-CD1 3.8Å; T141-I145 HydrophobicContact CG2-CG1 4.42Å; T141-I145 WeakPolarHBondContact O-CB 3.22Å; T141-I145 WeakPolarHBondContact O-CG1 3.33Å; T141-I145 PolarHBondContact O-N 3.48Å; I142-I145 PolarHBondContact O-N 3.28Å; I145-S148 PolarHBondContact O-N 3.49Å; I145-F149 WeakPolarHBondContact O-CB 3.28Å; I145-F149 PolarHBondContact O-N 3.32Å |
| 146 | L | 63.7 | Low | 58.5 | Low | 96 Ų | 96 | 95 Ų | 95 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.1 | -73.3 | 174.5 | 0 | 0 | 0 | 110.5 | I142 I143 S148 F149 T150 | I142-L146 HydrophobicContact CG2-CD1 3.78Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 VanDerWaalsContact O-CB 3.31Å; I142-L146 WeakPolarHBondContact O-CB 3.39Å; I142-L146 WeakPolarHBondContact O-CG 3.24Å; I142-L146 PolarHBondContact O-N 2.83Å; I143-L146 PolarHBondContact O-N 3.08Å; L146-S148 PolarHBondContact O-N 3.45Å; L146-F149 PolarHBondContact O-N 2.84Å; L146-T150 WeakPolarHBondContact O-CB 3.41Å; L146-T150 PolarHBondContact O-N 3.2Å; L146-T150 PolarHBondContact O-OG1 2.88Å |
| 147 | I | 59.8 | Low | 58.9 | Low | 49 Ų | 49 | 95.3 Ų | 95.3 | 25% | 0.251 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.3 | -66.8 | 164.7 | 0 | 0 | 0 | 110.8 | I143 F149 T150 C151 L167 | I143-I147 HydrophobicContact CG2-CD1 3.49Å; I143-I147 VanDerWaalsContact CG2-CD1 3.49Å; I143-I147 HydrophobicContact CG2-CG1 4.32Å; I143-I147 WeakPolarHBondContact O-CB 3.38Å; I143-I147 WeakPolarHBondContact O-CD1 3.45Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.43Å; I147-F149 VanDerWaalsContact C-N 3.35Å; I147-F149 PolarHBondContact O-N 3.06Å; I147-T150 PolarHBondContact O-N 2.98Å; I147-C151 WeakPolarHBondContact O-CB 3.49Å; I147-C151 PolarHBondContact O-N 2.77Å; I147-C151 PolarHBondContact O-SG 3.08Å; I147-L167 HydrophobicContact CB-CD2 4.47Å; I147-L167 HydrophobicContact CD1-CD1 3.95Å; I147-L167 HydrophobicContact CD1-CD2 4.15Å; I147-L167 HydrophobicContact CG2-CD1 4.05Å; I147-L167 HydrophobicContact CG2-CD2 3.74Å; I147-L167 HydrophobicContact CG2-CG 4.49Å |
| 148 | S | 61.2 | Low | 59.4 | Low | 56 Ų | 56 | 101.8 Ų | 101.8 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.9 | -60 | 0 | 0 | 0 | 0 | 112.2 | L144 I145 L146 R152 | L144-S148 VanDerWaalsContact O-CB 3.22Å; L144-S148 WeakPolarHBondContact O-CB 3.45Å; L144-S148 PolarHBondContact O-N 2.92Å; L144-S148 PolarHBondContact O-OG 2.89Å; I145-S148 PolarHBondContact O-N 3.49Å; L146-S148 PolarHBondContact O-N 3.45Å; S148-R152 VanDerWaalsContact O-CB 3.31Å; S148-R152 WeakPolarHBondContact O-CB 3.27Å; S148-R152 PolarHBondContact O-N 2.83Å |
| 149 | F | 64.9 | Low | 59.6 | Low | 124 Ų | 124 | 102.5 Ų | 102.5 | 54% | 0.544 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 176.5 | -176.2 | -98.5 | 0 | 0 | 0 | 110.9 | I145 L146 I147 R152 F153 | I145-F149 WeakPolarHBondContact O-CB 3.28Å; I145-F149 PolarHBondContact O-N 3.32Å; L146-F149 PolarHBondContact O-N 2.84Å; I147-F149 VanDerWaalsContact C-N 3.35Å; I147-F149 PolarHBondContact O-N 3.06Å; F149-R152 PolarHBondContact O-N 3.18Å; F149-F153 HydrophobicContact CE1-CB 4.34Å; F149-F153 HydrophobicContact CE1-CG 4.31Å; F149-F153 HydrophobicContact CZ-CD2 4.14Å; F149-F153 HydrophobicContact CZ-CG 4.3Å; F149-F153 WeakPolarHBondContact O-CA 3.22Å; F149-F153 WeakPolarHBondContact O-CB 3.46Å; F149-F153 PolarHBondContact O-N 2.86Å |
| 150 | T | 60.7 | Low | 59.9 | Low | 65 Ų | 65 | 96.4 Ų | 96.4 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.7 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | L146 I147 L154 | L146-T150 WeakPolarHBondContact O-CB 3.41Å; L146-T150 PolarHBondContact O-N 3.2Å; L146-T150 PolarHBondContact O-OG1 2.88Å; I147-T150 PolarHBondContact O-N 2.98Å; T150-L154 HydrophobicContact CG2-CB 4.48Å; T150-L154 HydrophobicContact CG2-CD1 3.45Å; T150-L154 VanDerWaalsContact CG2-CD1 3.45Å; T150-L154 HydrophobicContact CG2-CG 4.04Å; T150-L154 VanDerWaalsContact O-CB 3.24Å; T150-L154 WeakPolarHBondContact O-CB 3.24Å; T150-L154 PolarHBondContact O-N 3.49Å |
| 151 | C | 56.1 | Low | 60.2 | Low | 32 Ų | 32 | 99.5 Ų | 99.5 | 22% | 0.216 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.7 | -75.3 | 0 | 0 | 0 | 0 | 112.1 | I147 T160 | I147-C151 WeakPolarHBondContact O-CB 3.49Å; I147-C151 PolarHBondContact O-N 2.77Å; I147-C151 PolarHBondContact O-SG 3.08Å; C151-T160 HydrophobicContact CB-CG2 3.93Å |
| 152 | R | 62.3 | Low | 60.7 | Low | 234 Ų | 234 | 99.3 Ų | 99.3 | 88% | 0.883 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -81.3 | -27.2 | -179.9 | -167.3 | 151.7 | -176.4 | 109.3 | -1.8 | 113.8 | S148 F149 | S148-R152 VanDerWaalsContact O-CB 3.31Å; S148-R152 WeakPolarHBondContact O-CB 3.27Å; S148-R152 PolarHBondContact O-N 2.83Å; F149-R152 PolarHBondContact O-N 3.18Å |
| 153 | F | 58.5 | Low | 60.8 | Low | 154 Ų | 154 | 98.3 Ų | 98.3 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -99 | -35.4 | -174.1 | -162.7 | -95.8 | 0 | 0 | 0 | 113.2 | F149 | F149-F153 HydrophobicContact CE1-CB 4.34Å; F149-F153 HydrophobicContact CE1-CG 4.31Å; F149-F153 HydrophobicContact CZ-CD2 4.14Å; F149-F153 HydrophobicContact CZ-CG 4.3Å; F149-F153 WeakPolarHBondContact O-CA 3.22Å; F149-F153 WeakPolarHBondContact O-CB 3.46Å; F149-F153 PolarHBondContact O-N 2.86Å |
| 154 | L | 54.6 | Low | 60.8 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -89.9 | -38.2 | -173.1 | -66.7 | -173.8 | 0 | 0 | 0 | 114.3 | T150 | T150-L154 HydrophobicContact CG2-CB 4.48Å; T150-L154 HydrophobicContact CG2-CD1 3.45Å; T150-L154 VanDerWaalsContact CG2-CD1 3.45Å; T150-L154 HydrophobicContact CG2-CG 4.04Å; T150-L154 VanDerWaalsContact O-CB 3.24Å; T150-L154 WeakPolarHBondContact O-CB 3.24Å; T150-L154 PolarHBondContact O-N 3.49Å |
| 155 | L | 48.8 | Very low | 61.4 | Low | 109 Ų | 109 | 100.5 Ų | 100.5 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | trans | -153.1 | 99.7 | -167.2 | -66.3 | 172.7 | 0 | 0 | 0 | 113.5 | S157 T160 | L155-S157 PolarHBondContact O-N 3.37Å; L155-T160 VanDerWaalsContact CB-OG1 3.22Å; L155-T160 WeakPolarHBondContact CB-OG1 3.34Å; L155-T160 VanDerWaalsContact O-CB 3.27Å; L155-T160 WeakPolarHBondContact O-CB 3.22Å; L155-T160 WeakPolarHBondContact O-CG2 3.18Å; L155-T160 PolarHBondContact O-OG1 2.79Å | ||
| 156 | N | 54 | Low | 61.4 | Low | 186 Ų | 186 | 102.9 Ų | 102.9 | 100% | 0.995 | 53% | 0.525 | S | S | * | . | trans | -76.7 | 68.7 | 166.9 | -151.4 | 29.1 | 0 | 0 | 0 | 109.8 | ||||
| 157 | S | 61.7 | Low | 61.5 | Low | 50 Ų | 50 | 100.7 Ų | 100.7 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -133.5 | 150.7 | -173.6 | 86.2 | 0 | 0 | 0 | 0 | 112 | L155 V159 T160 D161 | L155-S157 PolarHBondContact O-N 3.37Å; S157-V159 PolarHBondContact O-N 2.84Å; S157-V159 VanDerWaalsContact O-N 3.12Å; S157-T160 WeakPolarHBondContact O-CB 3.04Å; S157-T160 PolarHBondContact O-N 2.77Å; S157-T160 PolarHBondContact O-OG1 2.72Å; S157-T160 PolarHBondContact OG-N 3.39Å; S157-T160 PolarHBondContact OG-OG1 3.36Å; S157-D161 PolarHBondContact O-N 3.47Å |
| 158 | R | 61.8 | Low | 61.8 | Low | 229 Ų | 229 | 101.8 Ų | 101.8 | 86% | 0.864 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.4 | -26.4 | 177.9 | -63.6 | -178.9 | 75.3 | -174.5 | 2.8 | 113.1 | A162 | R158-A162 PolarHBondContact O-N 3.42Å |
| 159 | V | 60.8 | Low | 62.5 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.4 | -37.1 | 177 | -178.3 | 0 | 0 | 0 | 0 | 111 | S157 D161 A162 A163 | S157-V159 PolarHBondContact O-N 2.84Å; S157-V159 VanDerWaalsContact O-N 3.12Å; V159-D161 VanDerWaalsContact C-N 3.32Å; V159-A162 PolarHBondContact O-N 3.27Å; V159-A163 VanDerWaalsContact O-CB 3.29Å; V159-A163 WeakPolarHBondContact O-CB 3.22Å; V159-A163 PolarHBondContact O-N 2.76Å |
| 160 | T | 61.2 | Low | 62.7 | Low | 23 Ų | 23 | 102.6 Ų | 102.6 | 14% | 0.141 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 175.5 | -41.2 | 0 | 0 | 0 | 0 | 111.5 | C151 L155 S157 A163 F164 | C151-T160 HydrophobicContact CB-CG2 3.93Å; L155-T160 VanDerWaalsContact CB-OG1 3.22Å; L155-T160 WeakPolarHBondContact CB-OG1 3.34Å; L155-T160 VanDerWaalsContact O-CB 3.27Å; L155-T160 WeakPolarHBondContact O-CB 3.22Å; L155-T160 WeakPolarHBondContact O-CG2 3.18Å; L155-T160 PolarHBondContact O-OG1 2.79Å; S157-T160 WeakPolarHBondContact O-CB 3.04Å; S157-T160 PolarHBondContact O-N 2.77Å; S157-T160 PolarHBondContact O-OG1 2.72Å; S157-T160 PolarHBondContact OG-N 3.39Å; S157-T160 PolarHBondContact OG-OG1 3.36Å; T160-A163 PolarHBondContact O-N 3.12Å; T160-F164 VanDerWaalsContact O-CB 3.23Å; T160-F164 WeakPolarHBondContact O-CB 3.2Å; T160-F164 PolarHBondContact O-N 3.41Å |
| 161 | D | 62.3 | Low | 63 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -45 | 178.1 | -166.6 | 20.2 | 0 | 0 | 0 | 111.3 | S157 V159 A163 F164 N165 | S157-D161 PolarHBondContact O-N 3.47Å; V159-D161 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.69Å; D161-F164 PolarHBondContact O-N 3.25Å; D161-N165 PolarHBondContact O-N 3.08Å; D161-N165 PolarHBondContact O-ND2 3.44Å; D161-N165 PolarHBondContact OD1-ND2 2.92Å |
| 162 | A | 68.4 | Low | 63.2 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R158 V159 F164 N165 F166 | R158-A162 PolarHBondContact O-N 3.42Å; V159-A162 PolarHBondContact O-N 3.27Å; A162-F164 VanDerWaalsContact C-N 3.33Å; A162-F164 PolarHBondContact O-N 2.84Å; A162-N165 PolarHBondContact O-N 2.96Å; A162-F166 WeakPolarHBondContact O-CB 3.45Å; A162-F166 PolarHBondContact O-N 3.36Å |
| 163 | A | 66.1 | Low | 63.4 | Low | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V159 T160 D161 F166 L167 | V159-A163 VanDerWaalsContact O-CB 3.29Å; V159-A163 WeakPolarHBondContact O-CB 3.22Å; V159-A163 PolarHBondContact O-N 2.76Å; T160-A163 PolarHBondContact O-N 3.12Å; D161-A163 PolarHBondContact O-N 2.69Å; A163-F166 PolarHBondContact O-N 3.26Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.36Å; A163-L167 PolarHBondContact O-N 3.03Å |
| 164 | F | 64.6 | Low | 63.4 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 31% | 0.307 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 176.7 | -178.5 | -105.6 | 0 | 0 | 0 | 111.8 | T160 D161 A162 L167 L168 | T160-F164 VanDerWaalsContact O-CB 3.23Å; T160-F164 WeakPolarHBondContact O-CB 3.2Å; T160-F164 PolarHBondContact O-N 3.41Å; D161-F164 PolarHBondContact O-N 3.25Å; A162-F164 VanDerWaalsContact C-N 3.33Å; A162-F164 PolarHBondContact O-N 2.84Å; F164-L167 WeakPolarHBondContact O-CB 3.31Å; F164-L167 PolarHBondContact O-N 2.93Å; F164-L168 HydrophobicContact CD1-CD1 3.93Å; F164-L168 HydrophobicContact CD1-CG 4.37Å; F164-L168 HydrophobicContact CE1-CD1 3.47Å; F164-L168 VanDerWaalsContact CE1-CD1 3.47Å; F164-L168 HydrophobicContact CE1-CG 4.03Å; F164-L168 HydrophobicContact CZ-CD1 3.98Å; F164-L168 HydrophobicContact CZ-CD2 4.22Å; F164-L168 HydrophobicContact CZ-CG 4.13Å; F164-L168 WeakPolarHBondContact O-CG 3.16Å; F164-L168 PolarHBondContact O-N 3.28Å |
| 165 | N | 69.6 | Low | 63.7 | Low | 83 Ų | 83 | 91.6 Ų | 91.6 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.1 | -77.3 | -75.2 | 0 | 0 | 0 | 112 | D161 A162 L167 L168 V169 | D161-N165 PolarHBondContact O-N 3.08Å; D161-N165 PolarHBondContact O-ND2 3.44Å; D161-N165 PolarHBondContact OD1-ND2 2.92Å; A162-N165 PolarHBondContact O-N 2.96Å; N165-L167 VanDerWaalsContact C-N 3.3Å; N165-L167 PolarHBondContact O-N 3.45Å; N165-L168 PolarHBondContact O-N 2.94Å; N165-V169 WeakPolarHBondContact O-CG2 3.18Å; N165-V169 PolarHBondContact O-N 3.43Å; N165-V169 VanDerWaalsContact O-N 3.08Å |
| 166 | F | 69.4 | Low | 64.4 | Low | 155 Ų | 155 | 89.6 Ų | 89.6 | 68% | 0.68 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.2 | -39.6 | 172.9 | -175.1 | -97.6 | 0 | 0 | 0 | 111.9 | A162 A163 V169 W170 | A162-F166 WeakPolarHBondContact O-CB 3.45Å; A162-F166 PolarHBondContact O-N 3.36Å; A163-F166 PolarHBondContact O-N 3.26Å; F166-V169 PolarHBondContact O-N 3.25Å; F166-W170 VanDerWaalsContact O-CB 3.3Å; F166-W170 WeakPolarHBondContact O-CB 3.29Å; F166-W170 PolarHBondContact O-N 3.19Å |
| 167 | L | 65.1 | Low | 64.8 | Low | 49 Ų | 49 | 83.9 Ų | 83.9 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69 | -34.3 | 177.8 | -159.2 | 118.4 | 0 | 0 | 0 | 112.9 | I147 A163 F164 N165 Y171 | I147-L167 HydrophobicContact CB-CD2 4.47Å; I147-L167 HydrophobicContact CD1-CD1 3.95Å; I147-L167 HydrophobicContact CD1-CD2 4.15Å; I147-L167 HydrophobicContact CG2-CD1 4.05Å; I147-L167 HydrophobicContact CG2-CD2 3.74Å; I147-L167 HydrophobicContact CG2-CG 4.49Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.36Å; A163-L167 PolarHBondContact O-N 3.03Å; F164-L167 WeakPolarHBondContact O-CB 3.31Å; F164-L167 PolarHBondContact O-N 2.93Å; N165-L167 VanDerWaalsContact C-N 3.3Å; N165-L167 PolarHBondContact O-N 3.45Å; L167-Y171 WeakPolarHBondContact O-CB 3.21Å; L167-Y171 PolarHBondContact O-N 3.15Å |
| 168 | L | 66.4 | Low | 64.6 | Low | 72 Ų | 72 | 82.1 Ų | 82.1 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 173.9 | -77.3 | 177.9 | 0 | 0 | 0 | 111.9 | F164 N165 Y171 Y172 | F164-L168 HydrophobicContact CD1-CD1 3.93Å; F164-L168 HydrophobicContact CD1-CG 4.37Å; F164-L168 HydrophobicContact CE1-CD1 3.47Å; F164-L168 VanDerWaalsContact CE1-CD1 3.47Å; F164-L168 HydrophobicContact CE1-CG 4.03Å; F164-L168 HydrophobicContact CZ-CD1 3.98Å; F164-L168 HydrophobicContact CZ-CD2 4.22Å; F164-L168 HydrophobicContact CZ-CG 4.13Å; F164-L168 WeakPolarHBondContact O-CG 3.16Å; F164-L168 PolarHBondContact O-N 3.28Å; N165-L168 PolarHBondContact O-N 2.94Å; L168-Y171 PolarHBondContact O-N 2.89Å; L168-Y172 WeakPolarHBondContact O-CB 3.33Å; L168-Y172 PolarHBondContact O-N 3.05Å |
| 169 | V | 74.4 | Confident | 64.4 | Low | 92 Ų | 92 | 75 Ų | 75 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 175 | 171 | 0 | 0 | 0 | 0 | 110.3 | N165 F166 Y171 Y172 C173 | N165-V169 WeakPolarHBondContact O-CG2 3.18Å; N165-V169 PolarHBondContact O-N 3.43Å; N165-V169 VanDerWaalsContact O-N 3.08Å; F166-V169 PolarHBondContact O-N 3.25Å; V169-Y171 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 3.17Å; V169-Y172 PolarHBondContact O-N 2.95Å; V169-C173 PolarHBondContact O-N 3.03Å; V169-C173 PolarHBondContact O-SG 2.85Å |
| 170 | W | 70.8 | Confident | 63.9 | Low | 106 Ų | 106 | 72.8 Ų | 72.8 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56 | -44.1 | 174.6 | 173.3 | -93.7 | 0 | 0 | 0 | 112.6 | Y108 V112 F166 T174 | Y108-W170 AromaticContact CE2-CH2 3.71Å; Y108-W170 HydrophobicContact CE2-CH2 3.71Å; Y108-W170 HydrophobicContact CE2-CZ2 4.27Å; Y108-W170 AromaticContact CZ-CH2 3.66Å; Y108-W170 WeakPolarHBondContact OH-CH2 3.31Å; V112-W170 HydrophobicContact CG2-CH2 3.78Å; V112-W170 HydrophobicContact CG2-CZ2 3.46Å; V112-W170 VanDerWaalsContact CG2-CZ2 3.46Å; F166-W170 VanDerWaalsContact O-CB 3.3Å; F166-W170 WeakPolarHBondContact O-CB 3.29Å; F166-W170 PolarHBondContact O-N 3.19Å; W170-T174 WeakPolarHBondContact O-CB 3.4Å; W170-T174 PolarHBondContact O-N 3.15Å; W170-T174 PolarHBondContact O-OG1 3.48Å |
| 171 | Y | 66.1 | Low | 63.6 | Low | 70 Ų | 70 | 73.2 Ų | 73.2 | 28% | 0.275 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.9 | 173.8 | -112.3 | 0 | 0 | 0 | 111.9 | L140 L144 L167 L168 V169 T174 L175 | L140-Y171 HydrophobicContact CD1-CD2 4.45Å; L140-Y171 HydrophobicContact CD1-CE2 4.41Å; L140-Y171 HydrophobicContact CD2-CD2 4.4Å; L140-Y171 HydrophobicContact CD2-CE2 3.64Å; L140-Y171 HydrophobicContact CG-CE2 4.09Å; L144-Y171 HydrophobicContact CD1-CD2 3.77Å; L144-Y171 HydrophobicContact CD1-CE2 3.25Å; L144-Y171 HydrophobicContact CD2-CD2 3.98Å; L144-Y171 HydrophobicContact CD2-CE2 4.17Å; L144-Y171 HydrophobicContact CD2-CG 4.16Å; L144-Y171 HydrophobicContact CG-CD2 4.36Å; L144-Y171 HydrophobicContact CG-CE2 4.27Å; L167-Y171 WeakPolarHBondContact O-CB 3.21Å; L167-Y171 PolarHBondContact O-N 3.15Å; L168-Y171 PolarHBondContact O-N 2.89Å; V169-Y171 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 3.17Å; Y171-T174 PolarHBondContact O-N 2.69Å; Y171-L175 HydrophobicContact CD1-CD1 3.98Å; Y171-L175 HydrophobicContact CD2-CG 4.39Å; Y171-L175 HydrophobicContact CE1-CD1 3.38Å; Y171-L175 HydrophobicContact CE1-CG 4.2Å; Y171-L175 HydrophobicContact CE2-CD1 4Å; Y171-L175 HydrophobicContact CE2-CD2 4.24Å; Y171-L175 HydrophobicContact CE2-CG 3.94Å; Y171-L175 VanDerWaalsContact CZ-CD1 3.41Å; Y171-L175 WeakPolarHBondContact O-CG 3.49Å; Y171-L175 PolarHBondContact O-N 3.14Å |
| 172 | Y | 61.2 | Low | 63.1 | Low | 164 Ų | 164 | 70.7 Ų | 70.7 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 178 | -170.5 | -100.4 | 0 | 0 | 0 | 111.9 | L168 V169 T174 L175 T176 | L168-Y172 WeakPolarHBondContact O-CB 3.33Å; L168-Y172 PolarHBondContact O-N 3.05Å; V169-Y172 PolarHBondContact O-N 2.95Å; Y172-T174 VanDerWaalsContact C-N 3.3Å; Y172-T174 PolarHBondContact O-N 2.85Å; Y172-L175 WeakPolarHBondContact O-CB 3.36Å; Y172-L175 PolarHBondContact O-N 2.94Å; Y172-T176 PolarHBondContact O-N 2.68Å; Y172-T176 PolarHBondContact O-OG1 2.76Å; Y172-T176 VanDerWaalsContact O-OG1 3.06Å |
| 173 | C | 64.6 | Low | 62.3 | Low | 64 Ų | 64 | 71.4 Ų | 71.4 | 43% | 0.432 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 174.8 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | V169 T176 I177 | V169-C173 PolarHBondContact O-N 3.03Å; V169-C173 PolarHBondContact O-SG 2.85Å; C173-T176 PolarHBondContact O-N 3.26Å; C173-I177 WeakPolarHBondContact O-CG1 3.45Å; C173-I177 PolarHBondContact O-N 2.96Å; C173-I177 VanDerWaalsContact O-N 3.12Å |
| 174 | T | 58.8 | Low | 61.3 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 177.9 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | V112 W170 Y171 Y172 R178 | V112-T174 HydrophobicContact CG1-CG2 4.35Å; V112-T174 VanDerWaalsContact O-CG2 3.27Å; V112-T174 WeakPolarHBondContact O-CG2 2.92Å; W170-T174 WeakPolarHBondContact O-CB 3.4Å; W170-T174 PolarHBondContact O-N 3.15Å; W170-T174 PolarHBondContact O-OG1 3.48Å; Y171-T174 PolarHBondContact O-N 2.69Å; Y172-T174 VanDerWaalsContact C-N 3.3Å; Y172-T174 PolarHBondContact O-N 2.85Å; T174-R178 WeakPolarHBondContact O-CB 3.16Å; T174-R178 PolarHBondContact O-N 3.47Å |
| 175 | L | 61.9 | Low | 60.4 | Low | 56 Ų | 56 | 75 Ų | 75 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 173.3 | -80.3 | 178.6 | 0 | 0 | 0 | 111.9 | Y171 Y172 I177 R178 E179 | Y171-L175 HydrophobicContact CD1-CD1 3.98Å; Y171-L175 HydrophobicContact CD2-CG 4.39Å; Y171-L175 HydrophobicContact CE1-CD1 3.38Å; Y171-L175 HydrophobicContact CE1-CG 4.2Å; Y171-L175 HydrophobicContact CE2-CD1 4Å; Y171-L175 HydrophobicContact CE2-CD2 4.24Å; Y171-L175 HydrophobicContact CE2-CG 3.94Å; Y171-L175 VanDerWaalsContact CZ-CD1 3.41Å; Y171-L175 WeakPolarHBondContact O-CG 3.49Å; Y171-L175 PolarHBondContact O-N 3.14Å; Y172-L175 WeakPolarHBondContact O-CB 3.36Å; Y172-L175 PolarHBondContact O-N 2.94Å; L175-I177 VanDerWaalsContact C-N 3.35Å; L175-I177 PolarHBondContact O-N 2.81Å; L175-R178 PolarHBondContact O-N 3.3Å; L175-E179 VanDerWaalsContact O-CB 3.29Å; L175-E179 WeakPolarHBondContact O-CB 3.25Å; L175-E179 PolarHBondContact O-N 2.78Å |
| 176 | T | 63.6 | Low | 59.3 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 112 | Y172 C173 E179 S180 | Y172-T176 PolarHBondContact O-N 2.68Å; Y172-T176 PolarHBondContact O-OG1 2.76Å; Y172-T176 VanDerWaalsContact O-OG1 3.06Å; C173-T176 PolarHBondContact O-N 3.26Å; T176-E179 PolarHBondContact O-N 3.33Å; T176-S180 PolarHBondContact O-N 3.31Å |
| 177 | I | 62 | Low | 57.9 | Low | 66 Ų | 66 | 68.4 Ų | 68.4 | 34% | 0.338 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.5 | -67.1 | 169.1 | 0 | 0 | 0 | 110.1 | L113 C173 L175 E179 S180 I181 | L113-I177 HydrophobicContact CD2-CG2 3.45Å; L113-I177 VanDerWaalsContact CD2-CG2 3.45Å; L113-I177 HydrophobicContact CG-CG2 3.91Å; C173-I177 WeakPolarHBondContact O-CG1 3.45Å; C173-I177 PolarHBondContact O-N 2.96Å; C173-I177 VanDerWaalsContact O-N 3.12Å; L175-I177 VanDerWaalsContact C-N 3.35Å; L175-I177 PolarHBondContact O-N 2.81Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 3.41Å; I177-S180 PolarHBondContact O-N 2.84Å; I177-S180 PolarHBondContact O-OG 3.47Å; I177-I181 HydrophobicContact CG2-CD1 4.16Å; I177-I181 WeakPolarHBondContact O-CG1 3.19Å; I177-I181 PolarHBondContact O-N 2.75Å |
| 178 | R | 57.3 | Low | 57 | Low | 13 Ų | 13 | 76.1 Ų | 76.1 | 5% | 0.049 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.4 | -168.9 | -172.6 | -63 | -154 | -2.3 | 112.1 | F136 T174 L175 I181 L182 | F136-R178 HydrophobicContact CE1-CG 4.05Å; F136-R178 VanDerWaalsContact CE1-NH1 3.31Å; T174-R178 WeakPolarHBondContact O-CB 3.16Å; T174-R178 PolarHBondContact O-N 3.47Å; L175-R178 PolarHBondContact O-N 3.3Å; R178-I181 PolarHBondContact O-N 3.35Å; R178-L182 HydrophobicContact CG-CD1 4.07Å; R178-L182 WeakPolarHBondContact O-CB 3.25Å; R178-L182 WeakPolarHBondContact O-CD1 3.41Å; R178-L182 WeakPolarHBondContact O-CG 3.41Å; R178-L182 PolarHBondContact O-N 2.84Å |
| 179 | E | 58.2 | Low | 55.7 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.6 | -176 | 164.3 | -156 | 0 | 0 | 111.4 | L175 T176 I177 I181 L182 I183 | L175-E179 VanDerWaalsContact O-CB 3.29Å; L175-E179 WeakPolarHBondContact O-CB 3.25Å; L175-E179 PolarHBondContact O-N 2.78Å; T176-E179 PolarHBondContact O-N 3.33Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 3.41Å; E179-I181 VanDerWaalsContact C-N 3.31Å; E179-I181 PolarHBondContact O-N 2.85Å; E179-L182 PolarHBondContact O-N 3.42Å; E179-I183 HydrophobicContact CG-CD1 3.76Å; E179-I183 HydrophobicContact CG-CG1 4.37Å; E179-I183 WeakPolarHBondContact O-CB 3.31Å; E179-I183 VanDerWaalsContact O-CG1 3.25Å; E179-I183 WeakPolarHBondContact O-CG1 3.49Å; E179-I183 PolarHBondContact O-N 2.8Å |
| 180 | S | 49.1 | Very low | 54.3 | Low | 68 Ų | 68 | 78.4 Ų | 78.4 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 173.6 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | T176 I177 N184 | T176-S180 PolarHBondContact O-N 3.31Å; I177-S180 PolarHBondContact O-N 2.84Å; I177-S180 PolarHBondContact O-OG 3.47Å; S180-N184 VanDerWaalsContact O-CB 3.23Å; S180-N184 WeakPolarHBondContact O-CB 3.32Å; S180-N184 PolarHBondContact O-N 3.48Å |
| 181 | I | 55.9 | Low | 53.2 | Low | 31 Ų | 31 | 74.6 Ų | 74.6 | 16% | 0.159 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 174.8 | -66.1 | 169.4 | 0 | 0 | 0 | 110.6 | L113 V116 I177 R178 E179 N184 N185 | L113-I181 HydrophobicContact CB-CD1 4.28Å; L113-I181 HydrophobicContact CD2-CD1 4.1Å; V116-I181 HydrophobicContact CG2-CD1 4.02Å; I177-I181 HydrophobicContact CG2-CD1 4.16Å; I177-I181 WeakPolarHBondContact O-CG1 3.19Å; I177-I181 PolarHBondContact O-N 2.75Å; R178-I181 PolarHBondContact O-N 3.35Å; E179-I181 VanDerWaalsContact C-N 3.31Å; E179-I181 PolarHBondContact O-N 2.85Å; I181-N184 PolarHBondContact O-N 3.28Å; I181-N185 VanDerWaalsContact CG2-ND2 3.27Å; I181-N185 WeakPolarHBondContact CG2-ND2 3.47Å; I181-N185 VanDerWaalsContact O-CB 3.24Å; I181-N185 WeakPolarHBondContact O-CB 3.2Å; I181-N185 PolarHBondContact O-N 2.63Å; I181-N185 PolarHBondContact O-ND2 3.38Å |
| 182 | L | 52.1 | Low | 52.2 | Low | 48 Ų | 48 | 78.7 Ų | 78.7 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 177.1 | -82.5 | 156.2 | 0 | 0 | 0 | 113 | Y133 R178 E179 G186 | Y133-L182 HydrophobicContact CD2-CD2 4.36Å; Y133-L182 HydrophobicContact CE1-CD2 4.38Å; Y133-L182 HydrophobicContact CE2-CD1 3.77Å; Y133-L182 HydrophobicContact CE2-CD2 3.57Å; Y133-L182 HydrophobicContact CE2-CG 4.04Å; Y133-L182 WeakPolarHBondContact OH-CD1 3.37Å; Y133-L182 WeakPolarHBondContact OH-CD2 3.3Å; R178-L182 HydrophobicContact CG-CD1 4.07Å; R178-L182 WeakPolarHBondContact O-CB 3.25Å; R178-L182 WeakPolarHBondContact O-CD1 3.41Å; R178-L182 WeakPolarHBondContact O-CG 3.41Å; R178-L182 PolarHBondContact O-N 2.84Å; E179-L182 PolarHBondContact O-N 3.42Å; L182-G186 WeakPolarHBondContact O-CA 3.39Å; L182-G186 PolarHBondContact O-N 2.86Å |
| 183 | I | 51.6 | Low | 51.6 | Low | 80 Ų | 80 | 73.7 Ų | 73.7 | 41% | 0.41 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 176.7 | -68.9 | 165.9 | 0 | 0 | 0 | 110.3 | E179 | E179-I183 HydrophobicContact CG-CD1 3.76Å; E179-I183 HydrophobicContact CG-CG1 4.37Å; E179-I183 WeakPolarHBondContact O-CB 3.31Å; E179-I183 VanDerWaalsContact O-CG1 3.25Å; E179-I183 WeakPolarHBondContact O-CG1 3.49Å; E179-I183 PolarHBondContact O-N 2.8Å |
| 184 | N | 44.5 | Very low | 50.7 | Low | 138 Ų | 138 | 76.1 Ų | 76.1 | 74% | 0.738 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -75.9 | -34.2 | 179.1 | -164 | 62.2 | 0 | 0 | 0 | 113 | S180 I181 | S180-N184 VanDerWaalsContact O-CB 3.23Å; S180-N184 WeakPolarHBondContact O-CB 3.32Å; S180-N184 PolarHBondContact O-N 3.48Å; I181-N184 PolarHBondContact O-N 3.28Å |
| 185 | N | 46 | Very low | 50.1 | Low | 62 Ų | 62 | 84.7 Ų | 84.7 | 33% | 0.332 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -91.4 | -28.8 | 177.3 | -74.3 | -71.9 | 0 | 0 | 0 | 113.8 | L120 I181 | L120-N185 HydrophobicContact CD1-CB 4.03Å; I181-N185 VanDerWaalsContact CG2-ND2 3.27Å; I181-N185 WeakPolarHBondContact CG2-ND2 3.47Å; I181-N185 VanDerWaalsContact O-CB 3.24Å; I181-N185 WeakPolarHBondContact O-CB 3.2Å; I181-N185 PolarHBondContact O-N 2.63Å; I181-N185 PolarHBondContact O-ND2 3.38Å |
| 186 | G | 46.9 | Very low | 49.2 | Very low | 26 Ų | 26 | 88 Ų | 88 | 27% | 0.268 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -104.8 | 84.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L182 R188 | L182-G186 WeakPolarHBondContact O-CA 3.39Å; L182-G186 PolarHBondContact O-N 2.86Å; G186-R188 PolarHBondContact O-N 2.76Å |
| 187 | S | 39.4 | Very low | 48.1 | Very low | 74 Ų | 74 | 86.4 Ų | 86.4 | 52% | 0.517 | 44% | 0.441 | S | S | . | . | trans | -3.3 | 114.1 | 163.7 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | W189 | S187-W189 PolarHBondContact O-N 3.32Å; S187-W189 PolarHBondContact O-NE1 3.45Å; S187-W189 PolarHBondContact OG-NE1 3.35Å | ||
| 188 | R | 46.8 | Very low | 47.1 | Very low | 210 Ų | 210 | 87.7 Ų | 87.7 | 79% | 0.792 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 13.8 | -18.7 | 159.9 | -67.3 | -174.4 | -77.9 | -110.4 | 3.5 | 123.3 | G186 | G186-R188 PolarHBondContact O-N 2.76Š|
| 189 | W | 38.9 | Very low | 46.2 | Very low | 177 Ų | 177 | 93.5 Ų | 93.5 | 67% | 0.67 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -31.9 | -179.2 | 66.2 | -93.3 | 0 | 0 | 0 | 114 | S187 R192 A193 | S187-W189 PolarHBondContact O-N 3.32Å; S187-W189 PolarHBondContact O-NE1 3.45Å; S187-W189 PolarHBondContact OG-NE1 3.35Å; W189-R192 PolarHBondContact O-N 3.37Å; W189-A193 PolarHBondContact O-N 2.84Å |
| 190 | A | 43.7 | Very low | 45.3 | Very low | 35 Ų | 35 | 94.6 Ų | 94.6 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.8 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | R192 A193 L194 | A190-R192 VanDerWaalsContact C-N 3.28Å; A190-R192 PolarHBondContact O-N 3.43Å; A190-A193 PolarHBondContact O-N 3.41Å; A190-L194 PolarHBondContact O-N 3.16Å |
| 191 | G | 48.6 | Very low | 44.6 | Very low | 26 Ų | 26 | 101.2 Ų | 101.2 | 27% | 0.268 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -24.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R195 | G191-R195 WeakPolarHBondContact O-CB 3.47Å; G191-R195 PolarHBondContact O-N 3.32Å |
| 192 | R | 45.2 | Very low | 43.7 | Very low | 157 Ų | 157 | 101.4 Ų | 101.4 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -77.4 | -43.2 | 173.9 | -76.9 | -168.5 | -75.4 | -113 | 4 | 112 | W189 A190 L194 R195 E196 | W189-R192 PolarHBondContact O-N 3.37Å; A190-R192 VanDerWaalsContact C-N 3.28Å; A190-R192 PolarHBondContact O-N 3.43Å; R192-L194 VanDerWaalsContact C-N 3.34Å; R192-L194 PolarHBondContact O-N 2.78Å; R192-R195 PolarHBondContact O-N 2.9Å; R192-E196 WeakPolarHBondContact O-CG 3.06Å; R192-E196 PolarHBondContact O-N 2.71Å |
| 193 | A | 47.3 | Very low | 43.3 | Very low | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W189 A190 G197 | W189-A193 PolarHBondContact O-N 2.84Å; A190-A193 PolarHBondContact O-N 3.41Å; A193-G197 PolarHBondContact O-N 2.6Å |
| 194 | L | 47.1 | Very low | 42.7 | Very low | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.5 | -32.1 | 177.4 | -103.4 | 149.8 | 0 | 0 | 0 | 113.1 | A190 R192 S198 | A190-L194 PolarHBondContact O-N 3.16Å; R192-L194 VanDerWaalsContact C-N 3.34Å; R192-L194 PolarHBondContact O-N 2.78Å; L194-S198 PolarHBondContact O-N 3.39Å |
| 195 | R | 45.1 | Very low | 42.7 | Very low | 190 Ų | 190 | 102 Ų | 102 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -32.9 | 175.2 | -157.2 | 175.5 | -178.1 | -150.1 | 0.1 | 111.9 | G191 R192 M199 | G191-R195 WeakPolarHBondContact O-CB 3.47Å; G191-R195 PolarHBondContact O-N 3.32Å; R192-R195 PolarHBondContact O-N 2.9Å; R195-M199 PolarHBondContact O-N 2.76Å |
| 196 | E | 43.9 | Very low | 42.6 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.1 | -42.1 | 172.8 | -75.6 | 166.3 | 177.5 | 0 | 0 | 111.8 | R192 S198 M199 E200 | R192-E196 WeakPolarHBondContact O-CG 3.06Å; R192-E196 PolarHBondContact O-N 2.71Å; E196-S198 VanDerWaalsContact C-N 3.33Å; E196-S198 PolarHBondContact O-N 2.9Å; E196-M199 PolarHBondContact O-N 3.42Å; E196-E200 PolarHBondContact O-N 2.83Å; E196-E200 VanDerWaalsContact O-N 3.11Å |
| 197 | G | 41.2 | Very low | 42.3 | Very low | 33 Ų | 33 | 114.3 Ų | 114.3 | 34% | 0.34 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A193 | A193-G197 PolarHBondContact O-N 2.6Å |
| 198 | S | 39.5 | Very low | 42.4 | Very low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76 | -26.1 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 113.4 | L194 E196 | L194-S198 PolarHBondContact O-N 3.39Å; E196-S198 VanDerWaalsContact C-N 3.33Å; E196-S198 PolarHBondContact O-N 2.9Å |
| 199 | M | 39.9 | Very low | 42 | Very low | 134 Ų | 134 | 112.2 Ų | 112.2 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -80.2 | -30.3 | 175.9 | -76 | -176.4 | 164.3 | 0 | 0 | 112 | R195 E196 G202 A203 | R195-M199 PolarHBondContact O-N 2.76Å; E196-M199 PolarHBondContact O-N 3.42Å; M199-G202 PolarHBondContact O-N 3.03Å; M199-A203 PolarHBondContact O-N 3.34Å |
| 200 | E | 39.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 106.8 Ų | 106.8 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.4 | -33.6 | 177.5 | -77.6 | -151.2 | 93.5 | 0 | 0 | 114 | E196 A203 R204 | E196-E200 PolarHBondContact O-N 2.83Å; E196-E200 VanDerWaalsContact O-N 3.11Å; E200-A203 PolarHBondContact O-N 2.79Å; E200-R204 WeakPolarHBondContact O-CG 3.39Å; E200-R204 PolarHBondContact O-N 2.91Å; E200-R204 VanDerWaalsContact O-N 3.13Å; E200-R204 IonicContact OE1-CZ 3.47Å; E200-R204 IonicContact OE1-NE 3.62Å; E200-R204 IonicContact OE1-NH2 3.6Å; E200-R204 PolarHBondContact OE1-NH2 3.23Å; E200-R204 IonicContact OE2-NH2 2.79Å; E200-R204 PolarHBondContact OE2-NH2 3.12Å |
| 201 | W | 33.8 | Very low | 42 | Very low | 207 Ų | 207 | 111 Ų | 111 | 78% | 0.784 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.1 | -31.3 | 176.4 | -87.9 | 82 | 0 | 0 | 0 | 113 | T205 | W201-T205 WeakPolarHBondContact O-CG2 3.48Å; W201-T205 PolarHBondContact O-N 3.29Å; W201-T205 PolarHBondContact O-OG1 3Å |
| 202 | G | 37.1 | Very low | 41.5 | Very low | 36 Ų | 36 | 113.6 Ų | 113.6 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -75.3 | -33.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | M199 T205 L206 | M199-G202 PolarHBondContact O-N 3.03Å; G202-T205 PolarHBondContact O-OG1 2.7Å; G202-T205 VanDerWaalsContact O-OG1 3.12Å; G202-L206 PolarHBondContact O-N 3.14Å |
| 203 | A | 43.5 | Very low | 41 | Very low | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -79.5 | -29.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M199 E200 R207 | M199-A203 PolarHBondContact O-N 3.34Å; E200-A203 PolarHBondContact O-N 2.79Å; A203-R207 WeakPolarHBondContact O-CB 3.42Å; A203-R207 PolarHBondContact O-N 3.2Å |
| 204 | R | 39.3 | Very low | 40.2 | Very low | 145 Ų | 145 | 112.4 Ų | 112.4 | 55% | 0.547 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -76.5 | -38.3 | 174.5 | -70.5 | -177.9 | -147.8 | -167.4 | 6.2 | 112.3 | E200 L206 R207 E208 | E200-R204 WeakPolarHBondContact O-CG 3.39Å; E200-R204 PolarHBondContact O-N 2.91Å; E200-R204 VanDerWaalsContact O-N 3.13Å; E200-R204 IonicContact OE1-CZ 3.47Å; E200-R204 IonicContact OE1-NE 3.62Å; E200-R204 IonicContact OE1-NH2 3.6Å; E200-R204 PolarHBondContact OE1-NH2 3.23Å; E200-R204 IonicContact OE2-NH2 2.79Å; E200-R204 PolarHBondContact OE2-NH2 3.12Å; R204-L206 PolarHBondContact O-N 2.77Å; R204-R207 PolarHBondContact O-N 3.49Å; R204-E208 WeakPolarHBondContact O-CB 3.44Å; R204-E208 WeakPolarHBondContact O-CG 3.45Å; R204-E208 PolarHBondContact O-N 3.49Å |
| 205 | T | 43.9 | Very low | 39.3 | Very low | 77 Ų | 77 | 110.4 Ų | 110.4 | 47% | 0.472 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.7 | -35.8 | 176.6 | 44.5 | 0 | 0 | 0 | 0 | 112.9 | W201 G202 A209 | W201-T205 WeakPolarHBondContact O-CG2 3.48Å; W201-T205 PolarHBondContact O-N 3.29Å; W201-T205 PolarHBondContact O-OG1 3Å; G202-T205 PolarHBondContact O-OG1 2.7Å; G202-T205 VanDerWaalsContact O-OG1 3.12Å; T205-A209 WeakPolarHBondContact O-CB 3.49Å; T205-A209 PolarHBondContact O-N 3.21Å |
| 206 | L | 43.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 109.9 Ų | 109.9 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.7 | -21.8 | 173 | -84.5 | 168.2 | 0 | 0 | 0 | 114.2 | G202 R204 | G202-L206 PolarHBondContact O-N 3.14Å; R204-L206 PolarHBondContact O-N 2.77Å |
| 207 | R | 41.5 | Very low | 37.8 | Very low | 204 Ų | 204 | 107.5 Ų | 107.5 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -84.9 | -30.3 | 175.6 | -162.1 | 177.8 | -66.9 | -114.8 | 1.4 | 112.1 | A203 R204 | A203-R207 WeakPolarHBondContact O-CB 3.42Å; A203-R207 PolarHBondContact O-N 3.2Å; R204-R207 PolarHBondContact O-N 3.49Å |
| 208 | E | 41.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 109.6 Ų | 109.6 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -81.2 | -23.6 | 176.6 | -71.8 | 174.9 | 176.3 | 0 | 0 | 113.1 | R204 G210 | R204-E208 WeakPolarHBondContact O-CB 3.44Å; R204-E208 WeakPolarHBondContact O-CG 3.45Å; R204-E208 PolarHBondContact O-N 3.49Å; E208-G210 VanDerWaalsContact C-N 3.33Å |
| 209 | A | 38.9 | Very low | 36.5 | Very low | 88 Ų | 88 | 110.4 Ų | 110.4 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -7.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T205 | T205-A209 WeakPolarHBondContact O-CB 3.49Å; T205-A209 PolarHBondContact O-N 3.21Å |
| 210 | G | 40.2 | Very low | 36.1 | Very low | 62 Ų | 62 | 111.1 Ų | 111.1 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -5.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | E208 | E208-G210 VanDerWaalsContact C-N 3.33Š|
| 211 | T | 41 | Very low | 35.7 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | trans | -124.5 | 76.2 | -179.1 | 40.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 212 | G | 37.8 | Very low | 35.5 | Very low | 79 Ų | 79 | 113 Ų | 113 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | -135.5 | 74 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | A | 35.5 | Very low | 35.1 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | trans | -172.4 | 122 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 214 | G | 29.8 | Very low | 34.4 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 76% | 0.756 | S | S | * | * | trans | 98.6 | 117.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 215 | G | 28.5 | Very low | 33.7 | Very low | 74 Ų | 74 | 125.4 Ų | 125.4 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | cis | 119.3 | 123.1 | 27 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 216 | D | 29.2 | Very low | 32.9 | Very low | 178 Ų | 178 | 129 Ų | 129 | 95% | 0.952 | 79% | 0.786 | S | S | * | * | trans | 70.2 | 140 | -179.3 | -67.9 | -18.3 | 0 | 0 | 0 | 117 | ||||
| 217 | G | 28.1 | Very low | 32.1 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | cis | 139.6 | 120.4 | 13 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 218 | G | 28.4 | Very low | 31.4 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 108.2 | 102.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 219 | S | 26.6 | Very low | 30.9 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 67.1 | 144.7 | 121.4 | -142.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 220 | L | 30.2 | Very low | 30.9 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 87 | 96.1 | 147.8 | -85.7 | 139.3 | 0 | 0 | 0 | 120.5 | ||||
| 221 | L | 31 | Very low | 30.3 | Very low | 150 Ų | 150 | 126 Ų | 126 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 24.1 | 115.8 | 115.6 | -97.8 | 168.1 | 0 | 0 | 0 | 116.8 | |||||
| 222 | Q | 30 | Very low | 29.6 | Very low | 200 Ų | 200 | 128.1 Ų | 128.1 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | -158.3 | 141.3 | 121.9 | -152.7 | 121.1 | 57.6 | 0 | 0 | 111.9 | |||||
| 223 | D | 28.2 | Very low | 29 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 65% | 0.652 | 81% | 0.814 | S | S | * | * | trans | -95.3 | 166.7 | -171.1 | -169.4 | 2.8 | 0 | 0 | 0 | 111.2 | ||||
| 224 | Q | 28.6 | Very low | 28.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | 82.8 | 112.7 | 155.7 | -53 | -161.5 | 32 | 0 | 0 | 122.8 | ||||
| 225 | R | 26 | Very low | 28.4 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | 33.2 | 125 | 121.4 | -72.5 | -159.9 | 171.4 | -135.8 | 1.1 | 119.2 | |||||
| 226 | L | 26.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | 178.4 | 130.9 | 103.5 | -128.1 | 72.2 | 0 | 0 | 0 | 112.3 | |||||
| 227 | V | 27 | Very low | 28.6 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 16.6 | 128 | 137.8 | -173.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 228 | G | 26.8 | Very low | 28.7 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 154.2 | 96.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 229 | V | 29.4 | Very low | 28.6 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -83.8 | 147.3 | 152.4 | 179.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 230 | P | 39.8 | Very low | 28.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | cis | -147.8 | -176.4 | 44.3 | 28.8 | -1.9 | 0 | 0 | 0 | 117.8 | ||||
| 231 | S | 27.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 100.8 | 92.7 | 148.6 | -69.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 232 | L | 26 | Very low | 28.5 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | 1.7 | 112.9 | 128.4 | -154.7 | 84.5 | 0 | 0 | 0 | 116.1 | |||||
| 233 | R | 26.2 | Very low | 28.5 | Very low | 229 Ų | 229 | 137.3 Ų | 137.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -142.1 | 116 | 149.1 | -170.3 | 169.9 | -71.9 | 177.1 | -1.7 | 110 | ||||
| 234 | V | 26.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -60.3 | 133.7 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 235 | H | 26.5 | Very low | 28.5 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -141.6 | 104.9 | 152.8 | -106.1 | -82 | 0 | 0 | 0 | 109.1 | ||||
| 236 | L | 30.3 | Very low | 28.5 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 150.2 | 157.2 | -146.2 | 76.4 | 0 | 0 | 0 | 107.5 | V238 | L236-V238 HydrophobicContact CD2-CG2 3.87Š| ||
| 237 | P | 31.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | -131.3 | 126.9 | 127.6 | 28.8 | -14.8 | 0 | 0 | 0 | 111.8 | |||||
| 238 | V | 29.7 | Very low | 28.4 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 130.1 | 156.9 | 157.8 | 0 | 0 | 0 | 0 | 108.2 | L236 | L236-V238 HydrophobicContact CD2-CG2 3.87Š| ||
| 239 | G | 27.5 | Very low | 28.4 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -135.5 | 134.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 240 | S | 26.9 | Very low | 28.6 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -117 | 151.2 | -157.7 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 241 | H | 29.4 | Very low | 28.4 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | 77.8 | 129.3 | 154.2 | -100.5 | -103.6 | 0 | 0 | 0 | 123.1 | ||||
| 242 | A | 29 | Very low | 28.4 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 60% | 0.603 | 79% | 0.789 | S | S | * | * | 92.6 | 117.1 | 128.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 243 | D | 29.1 | Very low | 28.9 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 90.3 | 118.9 | 127.3 | -75.1 | -37.7 | 0 | 0 | 0 | 124.6 | |||||
| 244 | V | 30.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | 90.1 | 128 | 123.9 | 173.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 245 | A | 26.8 | Very low | 29.8 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 70.8 | 133.9 | 155 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 246 | R | 27.3 | Very low | 30.2 | Very low | 243 Ų | 243 | 138.7 Ų | 138.7 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | -165.3 | 147.7 | 52.1 | -157.6 | 179.5 | -150.9 | -141 | 5.3 | 112.2 | |||||
| 247 | R | 26.4 | Very low | 30.1 | Very low | 236 Ų | 236 | 139.1 Ų | 139.1 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 142.6 | 175.2 | -136.6 | 178.4 | -159.5 | 166.8 | 3.2 | 111 | ||||
| 248 | S | 25.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -142 | 142.6 | 159 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 249 | H | 25.2 | Very low | 30.7 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -97.2 | 160.4 | -157.2 | -139.7 | -88.3 | 0 | 0 | 0 | 113.9 | ||||
| 250 | V | 33.4 | Very low | 30.6 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 166.2 | 176.8 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 251 | P | 37 | Very low | 30.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -143.4 | 135.1 | 90.6 | 26.2 | -3.9 | 0 | 0 | 0 | 114.4 | |||||
| 252 | E | 26.7 | Very low | 30.3 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | 75.4 | 137.9 | 92.7 | -81.8 | -130.5 | 133.5 | 0 | 0 | 118.4 | |||||
| 253 | I | 35.6 | Very low | 30.5 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -79.2 | 164.5 | -171.8 | -46.2 | 168.1 | 0 | 0 | 0 | 110.6 | ||||
| 254 | P | 37.1 | Very low | 30.7 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | -151.3 | 150 | 99.2 | 31.6 | -10.2 | 0 | 0 | 0 | 117.1 | |||||
| 255 | E | 34.6 | Very low | 30.8 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 161.2 | 160.4 | -82.9 | -85.6 | 151.7 | 0 | 0 | 112.4 | ||||
| 256 | P | 34.9 | Very low | 30.8 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -152.4 | 159.3 | 99.1 | 36.5 | -16.2 | 0 | 0 | 0 | 118.3 | |||||
| 257 | I | 29.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | trans | -81.4 | 178.8 | 168.4 | -58.9 | 158.3 | 0 | 0 | 0 | 110.4 | ||||
| 258 | P | 46.8 | Very low | 30.9 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -128.4 | 173.8 | -17.3 | 21.7 | 1.9 | 0 | 0 | 0 | 115.2 | ||||
| 259 | L | 25.9 | Very low | 31 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -152.9 | 134.2 | 140.1 | -116.8 | 168.3 | 0 | 0 | 0 | 113.7 | ||||
| 260 | L | 26 | Very low | 31.2 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | -96.1 | 131 | -168.4 | -171.4 | 155.7 | 0 | 0 | 0 | 108.6 | ||||
| 261 | F | 24.9 | Very low | 31.1 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | -135 | 140.6 | 163.1 | -92.3 | -80.6 | 0 | 0 | 0 | 112.4 | ||||
| 262 | H | 23.8 | Very low | 30.7 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -84.4 | 148.4 | -158.6 | -156.8 | -62.4 | 0 | 0 | 0 | 112.5 | ||||
| 263 | V | 32.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 157.8 | 169.8 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 264 | P | 34.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -137.5 | 152.4 | 114.3 | 26.9 | -8.6 | 0 | 0 | 0 | 115.4 | |||||
| 265 | E | 31.6 | Very low | 30.7 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -49.9 | 162.8 | 174.9 | -70 | -171.3 | 115.9 | 0 | 0 | 117 | ||||
| 266 | L | 27.6 | Very low | 30.4 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 175.8 | 136.4 | 132.1 | -88.5 | 156.4 | 0 | 0 | 0 | 105.9 | ||||
| 267 | R | 27 | Very low | 30 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | cis | -170.7 | 144.1 | 3.1 | -163.8 | 177.8 | -171.4 | 148.6 | 0.8 | 106.4 | ||||
| 268 | A | 30 | Very low | 29.9 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 149.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 269 | V | 26.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -139.8 | 134.9 | 156.6 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 270 | S | 28.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 167.4 | -163.2 | -71.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 271 | P | 33.2 | Very low | 30.3 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 153.8 | -171.5 | 36.4 | -32.6 | 0 | 0 | 0 | 113 | ||
| 272 | V | 27.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 122.7 | 172.6 | 169.4 | 0 | 0 | 0 | 0 | 110 | ||
| 273 | L | 26.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 140.2 | 175.7 | -103.3 | 100.8 | 0 | 0 | 0 | 112.5 | ||
| 274 | L | 33.3 | Very low | 31 | Very low | 139 Ų | 139 | 135 Ų | 135 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | 42.9 | 151.8 | 124.9 | -100.9 | 159.4 | 0 | 0 | 0 | 120.9 | |||||
| 275 | P | 39.6 | Very low | 30.8 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | -156.2 | 149.5 | 78.6 | 40.5 | -19.4 | 0 | 0 | 0 | 119.8 | |||||
| 276 | E | 29.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | 57.5 | 147.3 | 128.7 | -70.5 | -165.4 | 118.6 | 0 | 0 | 121.3 | |||||
| 277 | R | 26.2 | Very low | 30.5 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | cis | -174.2 | 147.5 | 14.1 | -124.2 | -164.5 | -157 | -116.5 | -8.3 | 112 | ||||
| 278 | L | 27 | Very low | 30.6 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | 58.5 | 165.4 | 139.3 | -107 | 70.1 | 0 | 0 | 0 | 121.9 | ||||
| 279 | P | 35.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -136.1 | 168.2 | -11.7 | 31.3 | -8.9 | 0 | 0 | 0 | 117 | ||||
| 280 | L | 32.5 | Very low | 30.5 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 169.5 | 162.7 | -71 | 159.3 | 0 | 0 | 0 | 112.3 | ||||
| 281 | P | 40.2 | Very low | 30.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -153.8 | -168.8 | 91.2 | 45.3 | -25.1 | 0 | 0 | 0 | 113.8 | |||||
| 282 | P | 41.2 | Very low | 30.2 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -129.8 | -178.2 | -86.6 | 37.9 | -17.6 | 0 | 0 | 0 | 115.7 | |||||
| 283 | A | 28.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -34 | 149.2 | -180 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 284 | G | 25.5 | Very low | 30.6 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 120.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 285 | A | 29.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | trans | -79.1 | 153.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 286 | G | 26.5 | Very low | 29.8 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 163.5 | 72 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 287 | R | 27.6 | Very low | 29.9 | Very low | 249 Ų | 249 | 128.1 Ų | 128.1 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | 16.8 | 118.3 | 139.4 | -168.8 | 177.5 | -171.2 | 158.5 | 1.2 | 119.2 | ||||
| 288 | A | 29.1 | Very low | 30.1 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | -170.6 | 119.3 | 126.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 289 | A | 26.7 | Very low | 30.3 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -84.4 | 136.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 290 | H | 27.5 | Very low | 30 | Very low | 192 Ų | 192 | 127.5 Ų | 127.5 | 89% | 0.889 | 83% | 0.827 | S | S | * | * | trans | -134.1 | 129.1 | 157.9 | -95 | -85.1 | 0 | 0 | 0 | 109.7 | ||||
| 291 | H | 26.9 | Very low | 29.9 | Very low | 207 Ų | 207 | 127.6 Ų | 127.6 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | -62.1 | 139.2 | 177.7 | -90.7 | -24.9 | 0 | 0 | 0 | 113.4 | ||||
| 292 | G | 28.7 | Very low | 29.3 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | -158.5 | 138.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 293 | P | 32.8 | Very low | 28.9 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -86.7 | 141.3 | -165.4 | 17.8 | -4.4 | 0 | 0 | 0 | 114.4 | ||||
| 294 | H | 28.9 | Very low | 29.1 | Very low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -24.6 | 155.6 | 146.5 | -67 | -89.7 | 0 | 0 | 0 | 115.1 | ||||
| 295 | C | 29.4 | Very low | 29.4 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | cis | -170.5 | 126.7 | -0.4 | -111 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 296 | G | 27.3 | Very low | 29.4 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -122.8 | 78.1 | 167 | 0 | 0 | 0 | 0 | 0 | 108.7 | L298 | G296-L298 PolarHBondContact O-N 3.36Š| ||
| 297 | G | 30 | Very low | 29.9 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 123.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 298 | L | 30.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -68.6 | 130.1 | 160.7 | -67.6 | 163.7 | 0 | 0 | 0 | 107.8 | G296 V300 | G296-L298 PolarHBondContact O-N 3.36Å; L298-V300 PolarHBondContact O-N 3.03Å; L298-V300 VanDerWaalsContact O-N 3.12Å | ||
| 299 | P | 31.4 | Very low | 31 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -69.6 | 112.6 | 170.4 | 26.9 | -29.4 | 0 | 0 | 0 | 108.8 | L301 | P299-L301 PolarHBondContact O-N 3.06Å; P299-L301 VanDerWaalsContact O-N 3.15Å | ||
| 300 | V | 29.4 | Very low | 31.6 | Very low | 137 Ų | 137 | 125 Ų | 125 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -60 | 107.1 | 160.1 | 167.6 | 0 | 0 | 0 | 0 | 106.6 | L298 D302 | L298-V300 PolarHBondContact O-N 3.03Å; L298-V300 VanDerWaalsContact O-N 3.12Å; V300-D302 PolarHBondContact O-N 3.38Å | ||
| 301 | L | 30.2 | Very low | 32.3 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -79.4 | 111.4 | 169 | -152.2 | 88 | 0 | 0 | 0 | 107.6 | P299 | P299-L301 PolarHBondContact O-N 3.06Å; P299-L301 VanDerWaalsContact O-N 3.15Å | ||
| 302 | D | 26.9 | Very low | 32.9 | Very low | 142 Ų | 142 | 117 Ų | 117 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -49.3 | 126.8 | 173.6 | -153.2 | -12.9 | 0 | 0 | 0 | 111.2 | V300 A304 | V300-D302 PolarHBondContact O-N 3.38Å; D302-A304 PolarHBondContact O-N 3.46Å | ||
| 303 | V | 32.7 | Very low | 33.6 | Very low | 137 Ų | 137 | 118 Ų | 118 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -79.2 | 80.2 | 172.5 | 173.7 | 0 | 0 | 0 | 0 | 106.9 | G305 | V303-G305 PolarHBondContact O-N 3.27Š| ||
| 304 | A | 32.8 | Very low | 33.8 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | trans | -70.7 | 117 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108 | D302 | D302-A304 PolarHBondContact O-N 3.46Š| ||
| 305 | G | 32.6 | Very low | 34.4 | Very low | 46 Ų | 46 | 116.5 Ų | 116.5 | 47% | 0.474 | 72% | 0.722 | S | S | . | * | trans | -55.5 | 151.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V303 H307 | V303-G305 PolarHBondContact O-N 3.27Å; G305-H307 PolarHBondContact O-N 3.18Å; G305-H307 VanDerWaalsContact O-N 3.07Å | ||
| 306 | P | 29.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -66.8 | 114.4 | -178.8 | 26 | -31.6 | 0 | 0 | 0 | 110 | L308 | P306-L308 VanDerWaalsContact C-N 3.29Å; P306-L308 PolarHBondContact O-N 3.12Å | ||
| 307 | H | 37.8 | Very low | 35.7 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | trans | -59.7 | 95.4 | 159.8 | -55.2 | -77.6 | 0 | 0 | 0 | 108 | G305 | G305-H307 PolarHBondContact O-N 3.18Å; G305-H307 VanDerWaalsContact O-N 3.07Å | ||
| 308 | L | 39.9 | Very low | 36.2 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -61.5 | 131.4 | 168.4 | -78.2 | 160.5 | 0 | 0 | 0 | 108.4 | P306 A310 | P306-L308 VanDerWaalsContact C-N 3.29Å; P306-L308 PolarHBondContact O-N 3.12Å; L308-A310 PolarHBondContact O-N 2.74Å | ||
| 309 | P | 38.8 | Very low | 36.6 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | trans | -60.7 | 139.1 | 175.1 | -18.2 | 29.3 | 0 | 0 | 0 | 110.2 | A311 F312 | P309-A311 PolarHBondContact O-N 3.46Å; P309-F312 PolarHBondContact O-N 3.45Å; P309-F312 VanDerWaalsContact O-N 3.09Å | ||
| 310 | A | 39.7 | Very low | 37.1 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -6.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L308 F312 | L308-A310 PolarHBondContact O-N 2.74Å; A310-F312 PolarHBondContact O-N 3.11Å |
| 311 | A | 43 | Very low | 37.6 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66.3 | -20.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P309 | P309-A311 PolarHBondContact O-N 3.46Å |
| 312 | F | 38.7 | Very low | 37.9 | Very low | 153 Ų | 153 | 122 Ų | 122 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76.4 | -26.3 | 179.7 | -120.6 | -90.3 | 0 | 0 | 0 | 113.7 | P309 A310 | P309-F312 PolarHBondContact O-N 3.45Å; P309-F312 VanDerWaalsContact O-N 3.09Å; A310-F312 PolarHBondContact O-N 3.11Å |
| 313 | S | 42.7 | Very low | 38.5 | Very low | 88 Ų | 88 | 121 Ų | 121 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.4 | -32 | 179.3 | -75.6 | 0 | 0 | 0 | 0 | 113.3 | L315 W316 T317 | S313-L315 VanDerWaalsContact C-N 3.34Å; S313-L315 PolarHBondContact O-N 3.44Å; S313-W316 PolarHBondContact O-N 3.48Å; S313-T317 PolarHBondContact O-OG1 3.19Å |
| 314 | F | 38.5 | Very low | 38.8 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 69% | 0.689 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71 | -28.8 | 179.1 | -88.5 | -82.6 | 0 | 0 | 0 | 113.2 | T317 L318 | F314-T317 PolarHBondContact O-OG1 3.34Å; F314-L318 PolarHBondContact O-N 2.95Å |
| 315 | L | 40.5 | Very low | 39.1 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 59% | 0.592 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.3 | -31.6 | 179.3 | -143.5 | 83 | 0 | 0 | 0 | 112.2 | S313 L319 | S313-L315 VanDerWaalsContact C-N 3.34Å; S313-L315 PolarHBondContact O-N 3.44Å; L315-L319 PolarHBondContact O-N 3.18Å |
| 316 | W | 40.2 | Very low | 39.5 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70.9 | -36.5 | 178.1 | -165.7 | -94.2 | 0 | 0 | 0 | 112.3 | S313 L318 L319 A320 | S313-W316 PolarHBondContact O-N 3.48Å; W316-L318 VanDerWaalsContact C-N 3.34Å; W316-L318 PolarHBondContact O-N 3.13Å; W316-L319 PolarHBondContact O-N 3.33Å; W316-A320 PolarHBondContact O-N 2.79Å |
| 317 | T | 43.6 | Very low | 40.1 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 56% | 0.564 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.6 | -26.9 | 177.3 | 42.2 | 0 | 0 | 0 | 0 | 113.6 | S313 F314 | S313-T317 PolarHBondContact O-OG1 3.19Å; F314-T317 PolarHBondContact O-OG1 3.34Å |
| 318 | L | 40.5 | Very low | 40.3 | Very low | 124 Ų | 124 | 124 Ų | 124 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.1 | -30.9 | 176.3 | -92.9 | 153.8 | 0 | 0 | 0 | 112.9 | F314 W316 | F314-L318 PolarHBondContact O-N 2.95Å; W316-L318 VanDerWaalsContact C-N 3.34Å; W316-L318 PolarHBondContact O-N 3.13Å |
| 319 | L | 39.4 | Very low | 40.3 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -78.6 | -19.4 | 177.2 | -90.8 | 156.6 | 0 | 0 | 0 | 113.9 | L315 W316 A321 | L315-L319 PolarHBondContact O-N 3.18Å; W316-L319 PolarHBondContact O-N 3.33Å; L319-A321 VanDerWaalsContact C-N 3.3Å |
| 320 | A | 40.8 | Very low | 40.4 | Very low | 83 Ų | 83 | 126 Ų | 126 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -3.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W316 | W316-A320 PolarHBondContact O-N 2.79Š|
| 321 | A | 40.3 | Very low | 40.5 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 10.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L319 | L319-A321 VanDerWaalsContact C-N 3.3Š|
| 322 | F | 37.4 | Very low | 40.2 | Very low | 260 Ų | 260 | 134.5 Ų | 134.5 | 100% | 1.14 | 70% | 0.7 | S | S | * | * | trans | -128.2 | 0 | 174 | -99.3 | -81.4 | 0 | 0 | 0 | 111.9 |
Retrieved 322 of 322 residues in 147.2 ms
(Link to these results)