| 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 | 36 | Very low | 28.8 | Very low | 244 Ų | 244 | 155.5 Ų | 155.5 | 100% | 1.202 | 81% | 0.814 | S | S | * | * | 0 | 102.8 | 0 | -93.1 | 170.2 | 150 | 0 | 0 | 109.2 | |||||
| 2 | K | 30.1 | Very low | 28.4 | Very low | 215 Ų | 215 | 160 Ų | 160 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -160.7 | 114.2 | 157.6 | -109 | 173 | -175.1 | -179.2 | 0 | 107.9 | ||||
| 3 | S | 24.8 | Very low | 28.2 | Very low | 98 Ų | 98 | 159.1 Ų | 159.1 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -88.1 | 141.9 | 169.6 | 175.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | V | 30.2 | Very low | 28.2 | Very low | 147 Ų | 147 | 160 Ų | 160 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -134.5 | 127.8 | 153.5 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | H | 31.4 | Very low | 28 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -67.2 | 151.6 | -172.9 | -107.4 | -77.1 | 0 | 0 | 0 | 114.3 | ||||
| 6 | L | 27.2 | Very low | 27.9 | Very low | 147 Ų | 147 | 157.2 Ų | 157.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -51.6 | 147.6 | 166.5 | -75.3 | 99.2 | 0 | 0 | 0 | 113.4 | ||||
| 7 | N | 28.8 | Very low | 27.7 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -126.8 | 129.4 | 143.8 | -154.3 | 9.1 | 0 | 0 | 0 | 110.1 | ||||
| 8 | N | 26.9 | Very low | 27.7 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -80.7 | 133.8 | -178.7 | -97.8 | -13.8 | 0 | 0 | 0 | 110.5 | ||||
| 9 | N | 26.1 | Very low | 27.6 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | 150.8 | 133.9 | 123 | -81.6 | -25.5 | 0 | 0 | 0 | 112.6 | |||||
| 10 | N | 28.5 | Very low | 27.5 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 89.8 | 96.2 | 157 | -56.2 | -23.1 | 0 | 0 | 0 | 118.4 | ||||
| 11 | N | 26.4 | Very low | 27.5 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | 64 | 100.5 | 131.9 | -74.7 | -11.8 | 0 | 0 | 0 | 119.1 | N13 | N11-N13 PolarHBondContact O-N 2.96Å; N11-N13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | Y | 24.9 | Very low | 27.6 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | 41.4 | 60.5 | 133.4 | -65.2 | -80.4 | 0 | 0 | 0 | 116.9 | H14 | Y12-H14 VanDerWaalsContact C-N 3.32Š| ||
| 13 | N | 24.9 | Very low | 27.8 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -93.5 | 73.6 | 144.5 | -77.8 | -30.5 | 0 | 0 | 0 | 107.7 | N11 I15 | N11-N13 PolarHBondContact O-N 2.96Å; N11-N13 VanDerWaalsContact O-N 3.14Å; N13-I15 HydrophobicContact CB-CG1 4.41Å; N13-I15 PolarHBondContact O-N 3.22Å | ||
| 14 | H | 28.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 82.2 | 158.7 | -130 | -60 | 0 | 0 | 0 | 106.2 | Y12 L16 | Y12-H14 VanDerWaalsContact C-N 3.32Å; H14-L16 VanDerWaalsContact C-N 3.3Å; H14-L16 PolarHBondContact O-N 2.79Å | ||
| 15 | I | 25 | Very low | 28.8 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 64% | 0.641 | 76% | 0.755 | S | S | * | * | trans | -53.8 | 102.5 | 161 | -61.9 | 170.8 | 0 | 0 | 0 | 104.7 | N13 S17 | N13-I15 HydrophobicContact CB-CG1 4.41Å; N13-I15 PolarHBondContact O-N 3.22Å; I15-S17 WeakPolarHBondContact CG2-OG 3.27Å; I15-S17 PolarHBondContact O-N 3.1Å | ||
| 16 | L | 26.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -63.2 | 84.2 | 156.8 | -100.2 | 145.5 | 0 | 0 | 0 | 105.5 | H14 V18 | H14-L16 VanDerWaalsContact C-N 3.3Å; H14-L16 PolarHBondContact O-N 2.79Å; L16-V18 HydrophobicContact CB-CG2 4.34Å; L16-V18 HydrophobicContact CD2-CG2 3.94Å; L16-V18 PolarHBondContact O-N 2.95Å | ||
| 17 | S | 24.2 | Very low | 30.2 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -67.7 | 86.1 | 155 | -56.9 | 0 | 0 | 0 | 0 | 104.2 | I15 D19 | I15-S17 WeakPolarHBondContact CG2-OG 3.27Å; I15-S17 PolarHBondContact O-N 3.1Å; S17-D19 PolarHBondContact O-N 3.38Å | ||
| 18 | V | 27 | Very low | 31.3 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 63% | 0.63 | 72% | 0.721 | S | S | * | * | trans | -73.4 | 105.6 | 161.3 | 177.5 | 0 | 0 | 0 | 0 | 103.5 | L16 I20 | L16-V18 HydrophobicContact CB-CG2 4.34Å; L16-V18 HydrophobicContact CD2-CG2 3.94Å; L16-V18 PolarHBondContact O-N 2.95Å; V18-I20 PolarHBondContact O-N 3.14Å | ||
| 19 | D | 25.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | -50.4 | 114.6 | 168.7 | -75.1 | -46.4 | 0 | 0 | 0 | 107.9 | S17 D21 | S17-D19 PolarHBondContact O-N 3.38Å; D19-D21 PolarHBondContact O-N 3.25Å | ||
| 20 | I | 26.8 | Very low | 33.2 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -74.9 | 80.1 | 174.8 | -60.1 | 168.3 | 0 | 0 | 0 | 105.2 | V18 | V18-I20 PolarHBondContact O-N 3.14Š|
| 21 | D | 26.2 | Very low | 34.3 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | -150 | 29.7 | 173.4 | -89 | -29.9 | 0 | 0 | 0 | 112.2 | D19 | D19-D21 PolarHBondContact O-N 3.25Š| ||
| 22 | E | 37.7 | Very low | 35.5 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 91% | 0.907 | 66% | 0.656 | S | S | * | * | trans | -103.3 | 87 | 156.1 | -91.1 | -171.2 | 160.7 | 0 | 0 | 108.9 | N24 | E22-N24 PolarHBondContact O-N 2.75Š| ||
| 23 | E | 34.9 | Very low | 36.9 | Very low | 167 Ų | 167 | 119.3 Ų | 119.3 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | trans | -39.3 | 123.4 | 162.7 | -171.1 | 179.5 | -162.1 | 0 | 0 | 110.3 | Q25 | E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 3.28Å | ||
| 24 | N | 36.2 | Very low | 38.7 | Very low | 156 Ų | 156 | 113.4 Ų | 113.4 | 83% | 0.834 | 59% | 0.59 | S | S | * | * | trans | -41 | 82.5 | 172.2 | -75.2 | -49.8 | 0 | 0 | 0 | 113 | E22 L26 | E22-N24 PolarHBondContact O-N 2.75Å; N24-L26 VanDerWaalsContact C-N 3.34Å; N24-L26 PolarHBondContact O-N 3.07Å | ||
| 25 | Q | 41.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 108.4 Ų | 108.4 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | trans | -85.8 | 89.5 | 162.4 | -78.2 | -171.3 | 29.9 | 0 | 0 | 107.1 | E23 | E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 3.28Å | ||
| 26 | L | 43.2 | Very low | 41.8 | Very low | 146 Ų | 146 | 106.9 Ų | 106.9 | 76% | 0.764 | 56% | 0.557 | S | S | * | * | trans | -41.7 | 129.8 | 157.8 | -118.5 | 82.9 | 0 | 0 | 0 | 107.6 | N24 K28 | N24-L26 VanDerWaalsContact C-N 3.34Å; N24-L26 PolarHBondContact O-N 3.07Å; L26-K28 PolarHBondContact O-N 3.04Å | ||
| 27 | P | 44.3 | Very low | 43.4 | Very low | 35 Ų | 35 | 101.2 Ų | 101.2 | 23% | 0.227 | 53% | 0.528 | C | S | . | . | trans | -54.8 | 120.7 | -178.4 | 8 | -15.3 | 0 | 0 | 0 | 109.2 | S29 D32 L33 | P27-S29 PolarHBondContact O-N 2.96Å; P27-D32 HydrophobicContact CB-CB 4Å; P27-L33 HydrophobicContact CB-CB 3.73Å; P27-L33 HydrophobicContact CG-CB 3.7Å; P27-L33 HydrophobicContact CG-CD1 3.68Å; P27-L33 HydrophobicContact CG-CG 4.16Å | ||
| 28 | K | 51.3 | Low | 45.2 | Very low | 167 Ų | 167 | 97.4 Ų | 97.4 | 73% | 0.726 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -68.5 | -21.4 | -174.3 | -69.3 | 174.5 | -177.9 | 162.2 | 0 | 111.4 | L26 | L26-K28 PolarHBondContact O-N 3.04Š|
| 29 | S | 45.9 | Very low | 47 | Very low | 36 Ų | 36 | 96.9 Ų | 96.9 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -140.8 | 156 | 174.8 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | P27 L31 D32 L33 | P27-S29 PolarHBondContact O-N 2.96Å; S29-L31 PolarHBondContact O-N 2.66Å; S29-L31 VanDerWaalsContact O-N 3.17Å; S29-D32 PolarHBondContact N-OD2 3.25Å; S29-D32 WeakPolarHBondContact O-CB 3.47Å; S29-D32 PolarHBondContact O-N 2.79Å; S29-D32 PolarHBondContact OG-N 2.89Å; S29-D32 VanDerWaalsContact OG-N 3.1Å; S29-D32 PolarHBondContact OG-OD2 3.47Å; S29-L33 PolarHBondContact O-N 2.69Å; S29-L33 VanDerWaalsContact O-N 3.13Å |
| 30 | P | 47.2 | Very low | 48.6 | Very low | 47 Ų | 47 | 98.2 Ų | 98.2 | 31% | 0.305 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.5 | -29 | 170.6 | -24.7 | 33.9 | 0 | 0 | 0 | 112.9 | L33 L34 L159 N160 L163 | P30-L33 PolarHBondContact O-N 3.19Å; P30-L34 WeakPolarHBondContact O-CB 3.45Å; P30-L34 PolarHBondContact O-N 3.27Å; P30-L159 HydrophobicContact CB-CB 4.05Å; P30-L159 HydrophobicContact CG-CB 4.15Å; P30-N160 WeakPolarHBondContact CA-OD1 3.32Å; P30-L163 HydrophobicContact CB-CD1 3.83Å; P30-L163 VanDerWaalsContact O-CD1 3.23Å; P30-L163 WeakPolarHBondContact O-CD1 3.44Å |
| 31 | L | 50.3 | Low | 50.2 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 176.6 | -166.3 | 68.1 | 0 | 0 | 0 | 111.6 | S29 L33 L34 H35 | S29-L31 PolarHBondContact O-N 2.66Å; S29-L31 VanDerWaalsContact O-N 3.17Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L34 HydrophobicContact CD1-CD2 4.44Å; L31-L34 PolarHBondContact O-N 3.5Å; L31-H35 WeakPolarHBondContact O-CB 3.47Å; L31-H35 PolarHBondContact O-N 3.4Å |
| 32 | D | 52.4 | Low | 51.9 | Low | 68 Ų | 68 | 87.9 Ų | 87.9 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 173.6 | -60.8 | -42.3 | 0 | 0 | 0 | 110.9 | P27 S29 H35 Q36 | P27-D32 HydrophobicContact CB-CB 4Å; S29-D32 PolarHBondContact N-OD2 3.25Å; S29-D32 WeakPolarHBondContact O-CB 3.47Å; S29-D32 PolarHBondContact O-N 2.79Å; S29-D32 PolarHBondContact OG-N 2.89Å; S29-D32 VanDerWaalsContact OG-N 3.1Å; S29-D32 PolarHBondContact OG-OD2 3.47Å; D32-H35 PolarHBondContact O-N 2.78Å; D32-Q36 WeakPolarHBondContact O-CB 3.23Å; D32-Q36 VanDerWaalsContact O-CG 3.32Å; D32-Q36 WeakPolarHBondContact O-CG 3.5Å; D32-Q36 PolarHBondContact O-N 3.5Å |
| 33 | L | 54.2 | Low | 52.8 | Low | 19 Ų | 19 | 82.4 Ų | 82.4 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.8 | -179.6 | 62.6 | 0 | 0 | 0 | 111.3 | P27 S29 P30 L31 T37 L163 I164 | P27-L33 HydrophobicContact CB-CB 3.73Å; P27-L33 HydrophobicContact CG-CB 3.7Å; P27-L33 HydrophobicContact CG-CD1 3.68Å; P27-L33 HydrophobicContact CG-CG 4.16Å; S29-L33 PolarHBondContact O-N 2.69Å; S29-L33 VanDerWaalsContact O-N 3.13Å; P30-L33 PolarHBondContact O-N 3.19Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-T37 VanDerWaalsContact O-CB 3.31Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 PolarHBondContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 3.02Å; L33-L163 HydrophobicContact CD2-CB 3.86Å; L33-L163 HydrophobicContact CD2-CD1 4.24Å; L33-I164 HydrophobicContact CD2-CG1 4.41Å |
| 34 | L | 62.8 | Low | 53.9 | Low | 23 Ų | 23 | 78.2 Ų | 78.2 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 173.9 | 179.7 | 62.8 | 0 | 0 | 0 | 110.5 | P30 L31 Q36 T37 C38 L163 I216 | P30-L34 WeakPolarHBondContact O-CB 3.45Å; P30-L34 PolarHBondContact O-N 3.27Å; L31-L34 HydrophobicContact CD1-CD2 4.44Å; L31-L34 PolarHBondContact O-N 3.5Å; L34-Q36 PolarHBondContact O-N 2.88Å; L34-T37 PolarHBondContact O-N 3.29Å; L34-T37 VanDerWaalsContact O-N 3.15Å; L34-C38 WeakPolarHBondContact O-CB 3.2Å; L34-C38 PolarHBondContact O-N 3.49Å; L34-C38 PolarHBondContact O-SG 2.75Å; L34-L163 HydrophobicContact CB-CD2 4.36Å; L34-L163 HydrophobicContact CD1-CD2 4.05Å; L34-I216 HydrophobicContact CD1-CG1 3.91Å; L34-I216 HydrophobicContact CD2-CD1 4.24Å; L34-I216 HydrophobicContact CD2-CG1 3.58Å; L34-I216 HydrophobicContact CG-CG1 4.31Å |
| 35 | H | 62.4 | Low | 54.6 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | -179.9 | -165.8 | 88.6 | 0 | 0 | 0 | 111.8 | L31 D32 T37 C38 E39 Y57 | L31-H35 WeakPolarHBondContact O-CB 3.47Å; L31-H35 PolarHBondContact O-N 3.4Å; D32-H35 PolarHBondContact O-N 2.78Å; H35-T37 VanDerWaalsContact C-N 3.3Å; H35-T37 PolarHBondContact O-N 3.01Å; H35-C38 WeakPolarHBondContact O-CB 3.43Å; H35-C38 PolarHBondContact O-N 2.82Å; H35-E39 WeakPolarHBondContact O-CB 3.33Å; H35-E39 PolarHBondContact O-N 3.42Å; H35-Y57 AromaticContact CE1-CZ 3.82Å; H35-Y57 PolarHBondContact CE1-OH 2.86Å |
| 36 | Q | 57.7 | Low | 55.2 | Low | 94 Ų | 94 | 67.5 Ų | 67.5 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.3 | -72.6 | 176.8 | 9.3 | 0 | 0 | 112 | D32 L34 E39 R40 | D32-Q36 WeakPolarHBondContact O-CB 3.23Å; D32-Q36 VanDerWaalsContact O-CG 3.32Å; D32-Q36 WeakPolarHBondContact O-CG 3.5Å; D32-Q36 PolarHBondContact O-N 3.5Å; L34-Q36 PolarHBondContact O-N 2.88Å; Q36-E39 PolarHBondContact O-N 3.13Å; Q36-R40 WeakPolarHBondContact O-CB 3.23Å; Q36-R40 PolarHBondContact O-N 3.28Å |
| 37 | T | 59.4 | Low | 55.7 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 18% | 0.184 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L33 L34 H35 R40 L41 | L33-T37 VanDerWaalsContact O-CB 3.31Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 PolarHBondContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 3.02Å; L34-T37 PolarHBondContact O-N 3.29Å; L34-T37 VanDerWaalsContact O-N 3.15Å; H35-T37 VanDerWaalsContact C-N 3.3Å; H35-T37 PolarHBondContact O-N 3.01Å; T37-R40 PolarHBondContact O-N 2.76Å; T37-L41 HydrophobicContact CG2-CD1 4.17Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.3Å |
| 38 | C | 62.7 | Low | 56.2 | Low | 11 Ų | 11 | 73.8 Ų | 73.8 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 173.6 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | L34 H35 R40 L41 L42 F55 F219 | L34-C38 WeakPolarHBondContact O-CB 3.2Å; L34-C38 PolarHBondContact O-N 3.49Å; L34-C38 PolarHBondContact O-SG 2.75Å; H35-C38 WeakPolarHBondContact O-CB 3.43Å; H35-C38 PolarHBondContact O-N 2.82Å; C38-R40 PolarHBondContact O-N 3.17Å; C38-L41 PolarHBondContact O-N 2.95Å; C38-L42 WeakPolarHBondContact O-CB 3.36Å; C38-L42 PolarHBondContact O-N 3.44Å; C38-F55 HydrophobicContact CB-CE1 3.72Å; C38-F55 HydrophobicContact CB-CE2 4.41Å; C38-F55 HydrophobicContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact O-CZ 3.29Å; C38-F55 WeakPolarHBondContact O-CZ 3.35Å; C38-F219 HydrophobicContact CB-CE1 4.16Å; C38-F219 HydrophobicContact CB-CZ 4.11Å; C38-F219 WeakPolarHBondContact SG-CE1 3.49Å; C38-F219 VanDerWaalsContact SG-CZ 3.58Å |
| 39 | E | 63.7 | Low | 56.3 | Low | 93 Ų | 93 | 68.6 Ų | 68.6 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.7 | -49 | 178.6 | -163.7 | 173.8 | -171.1 | 0 | 0 | 112.5 | H35 Q36 L41 L42 N43 F55 | H35-E39 WeakPolarHBondContact O-CB 3.33Å; H35-E39 PolarHBondContact O-N 3.42Å; Q36-E39 PolarHBondContact O-N 3.13Å; E39-L41 PolarHBondContact O-N 3.49Å; E39-L42 PolarHBondContact O-N 3.35Å; E39-N43 PolarHBondContact O-N 3.2Å; E39-N43 PolarHBondContact O-ND2 3.31Å; E39-F55 HydrophobicContact CB-CE2 4.29Å |
| 40 | R | 60.1 | Low | 56.9 | Low | 169 Ų | 169 | 78 Ų | 78 | 64% | 0.638 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.5 | -46.1 | 176.8 | -176.5 | 176.6 | 168 | 174.2 | -2.4 | 112.4 | Q36 T37 C38 L42 N43 E44 | Q36-R40 WeakPolarHBondContact O-CB 3.23Å; Q36-R40 PolarHBondContact O-N 3.28Å; T37-R40 PolarHBondContact O-N 2.76Å; C38-R40 PolarHBondContact O-N 3.17Å; R40-L42 VanDerWaalsContact C-N 3.32Å; R40-L42 PolarHBondContact O-N 2.87Å; R40-N43 PolarHBondContact O-N 3.03Å; R40-E44 WeakPolarHBondContact O-CB 3.45Å; R40-E44 PolarHBondContact O-N 2.79Å |
| 41 | L | 61.1 | Low | 57.1 | Low | 62 Ų | 62 | 81.5 Ų | 81.5 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 179.2 | -78.1 | 165.4 | 0 | 0 | 0 | 112.3 | T37 C38 E39 E44 C45 L223 | T37-L41 HydrophobicContact CG2-CD1 4.17Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.3Å; C38-L41 PolarHBondContact O-N 2.95Å; E39-L41 PolarHBondContact O-N 3.49Å; L41-E44 PolarHBondContact O-N 2.71Å; L41-C45 VanDerWaalsContact O-CB 3.32Å; L41-C45 WeakPolarHBondContact O-CB 3.46Å; L41-C45 PolarHBondContact O-N 3.38Å; L41-L223 HydrophobicContact CD1-CD1 3.57Å; L41-L223 HydrophobicContact CD1-CD2 4.46Å |
| 42 | L | 61.3 | Low | 57 | Low | 38 Ų | 38 | 82.4 Ų | 82.4 | 20% | 0.199 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | -179.9 | -149.4 | 120.4 | 0 | 0 | 0 | 111 | C38 E39 R40 C45 A46 L53 F55 | C38-L42 WeakPolarHBondContact O-CB 3.36Å; C38-L42 PolarHBondContact O-N 3.44Å; E39-L42 PolarHBondContact O-N 3.35Å; R40-L42 VanDerWaalsContact C-N 3.32Å; R40-L42 PolarHBondContact O-N 2.87Å; L42-C45 PolarHBondContact O-N 3.12Å; L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å; L42-L53 HydrophobicContact CD2-CB 3.34Å; L42-L53 WeakPolarHBondContact CD2-O 3.29Å; L42-L53 HydrophobicContact CG-CB 3.8Å; L42-F55 HydrophobicContact CB-CD2 4.42Å; L42-F55 HydrophobicContact CB-CE2 3.44Å; L42-F55 VanDerWaalsContact CB-CE2 3.44Å; L42-F55 HydrophobicContact CB-CZ 3.8Å; L42-F55 HydrophobicContact CD1-CD1 4.37Å; L42-F55 HydrophobicContact CD1-CD2 4.11Å; L42-F55 HydrophobicContact CD1-CE1 3.85Å; L42-F55 HydrophobicContact CD1-CE2 3.47Å; L42-F55 VanDerWaalsContact CD1-CE2 3.47Å; L42-F55 HydrophobicContact CD1-CG 4.47Å; L42-F55 HydrophobicContact CD1-CZ 3.33Å; L42-F55 HydrophobicContact CD2-CD2 4.01Å; L42-F55 HydrophobicContact CD2-CE2 3.81Å; L42-F55 HydrophobicContact CG-CD2 4.42Å; L42-F55 HydrophobicContact CG-CE2 3.75Å; L42-F55 HydrophobicContact CG-CZ 4.05Å |
| 43 | N | 57.4 | Low | 56.8 | Low | 80 Ų | 80 | 82.7 Ų | 82.7 | 43% | 0.428 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 173.3 | -71.7 | -24.8 | 0 | 0 | 0 | 111.7 | E39 R40 C45 A46 D47 | E39-N43 PolarHBondContact O-N 3.2Å; E39-N43 PolarHBondContact O-ND2 3.31Å; R40-N43 PolarHBondContact O-N 3.03Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 3.28Å; N43-A46 WeakPolarHBondContact O-CB 3.34Å; N43-A46 PolarHBondContact O-N 3.07Å; N43-A46 VanDerWaalsContact O-N 3.15Å; N43-D47 PolarHBondContact O-N 3.24Å |
| 44 | E | 56.6 | Low | 56.6 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 177.5 | -167 | 179.1 | 165.6 | 0 | 0 | 111.8 | R40 L41 R48 | R40-E44 WeakPolarHBondContact O-CB 3.45Å; R40-E44 PolarHBondContact O-N 2.79Å; L41-E44 PolarHBondContact O-N 2.71Å; E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.31Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 VanDerWaalsContact O-N 3.09Å; E44-R48 IonicContact OE1-CZ 3.45Å; E44-R48 IonicContact OE1-NE 3.5Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 2.69Å; E44-R48 PolarHBondContact OE1-NH2 3.03Å |
| 45 | C | 50.4 | Low | 55.7 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 28% | 0.284 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 175.6 | -157 | 0 | 0 | 0 | 0 | 111.8 | L41 L42 N43 N49 L53 | L41-C45 VanDerWaalsContact O-CB 3.32Å; L41-C45 WeakPolarHBondContact O-CB 3.46Å; L41-C45 PolarHBondContact O-N 3.38Å; L42-C45 PolarHBondContact O-N 3.12Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 3.28Å; C45-N49 WeakPolarHBondContact O-CB 3.43Å; C45-N49 PolarHBondContact O-N 2.92Å; C45-N49 VanDerWaalsContact O-N 3.1Å; C45-N49 PolarHBondContact O-ND2 3.35Å; C45-L53 HydrophobicContact CB-CD1 3.83Å |
| 46 | A | 54.9 | Low | 54.6 | Low | 9 Ų | 9 | 100.6 Ų | 100.6 | 7% | 0.074 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L42 N43 N49 R50 K51 L53 | L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å; N43-A46 WeakPolarHBondContact O-CB 3.34Å; N43-A46 PolarHBondContact O-N 3.07Å; N43-A46 VanDerWaalsContact O-N 3.15Å; A46-N49 CarbonylContact O-C 3.56Å; A46-N49 PolarHBondContact O-N 3.08Å; A46-R50 WeakPolarHBondContact O-CA 3.42Å; A46-R50 PolarHBondContact O-N 3.39Å; A46-K51 CarbonylContact C-O 3.58Å; A46-K51 WeakPolarHBondContact CA-O 3.3Å; A46-K51 WeakPolarHBondContact CB-O 3.39Å; A46-K51 PolarHBondContact O-N 3.03Å; A46-L53 HydrophobicContact CB-CB 4.06Å; A46-L53 HydrophobicContact CB-CD1 4.28Å; A46-L53 HydrophobicContact CB-CG 4.05Å |
| 47 | D | 52.9 | Low | 53.6 | Low | 130 Ų | 130 | 104.9 Ų | 104.9 | 70% | 0.695 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.4 | -47.4 | 178.3 | -78.1 | -14.6 | 0 | 0 | 0 | 111.6 | N43 N49 R50 | N43-D47 PolarHBondContact O-N 3.24Å; D47-N49 VanDerWaalsContact C-N 3.26Å; D47-N49 PolarHBondContact O-N 3.41Å; D47-R50 PolarHBondContact O-N 3.17Å |
| 48 | R | 56.1 | Low | 52.4 | Low | 183 Ų | 183 | 110.1 Ų | 110.1 | 69% | 0.691 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -36.8 | 177.5 | -72.4 | 175.4 | -174.4 | -144.2 | 4.5 | 112.3 | E44 | E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.31Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 VanDerWaalsContact O-N 3.09Å; E44-R48 IonicContact OE1-CZ 3.45Å; E44-R48 IonicContact OE1-NE 3.5Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 2.69Å; E44-R48 PolarHBondContact OE1-NH2 3.03Å |
| 49 | N | 53.3 | Low | 50.7 | Low | 58 Ų | 58 | 117.8 Ų | 117.8 | 31% | 0.31 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -92.3 | -1 | -178.4 | -74 | -65.2 | 0 | 0 | 0 | 114.3 | C45 A46 D47 K51 H230 | C45-N49 WeakPolarHBondContact O-CB 3.43Å; C45-N49 PolarHBondContact O-N 2.92Å; C45-N49 VanDerWaalsContact O-N 3.1Å; C45-N49 PolarHBondContact O-ND2 3.35Å; A46-N49 CarbonylContact O-C 3.56Å; A46-N49 PolarHBondContact O-N 3.08Å; D47-N49 VanDerWaalsContact C-N 3.26Å; D47-N49 PolarHBondContact O-N 3.41Å; N49-K51 PolarHBondContact O-N 2.9Å; N49-K51 VanDerWaalsContact O-N 3.11Å; N49-H230 PolarHBondContact ND2-NE2 3.27Å; N49-H230 PolarHBondContact OD1-CE1 3.4Å; N49-H230 PolarHBondContact OD1-NE2 2.01Å |
| 50 | R | 58.8 | Low | 49.1 | Very low | 235 Ų | 235 | 120.7 Ų | 120.7 | 89% | 0.887 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.4 | 32.7 | -171.6 | -59.8 | -177.3 | 177.3 | 167.8 | -0.3 | 112.9 | A46 D47 | A46-R50 WeakPolarHBondContact O-CA 3.42Å; A46-R50 PolarHBondContact O-N 3.39Å; D47-R50 PolarHBondContact O-N 3.17Å |
| 51 | K | 49.8 | Very low | 47.5 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 52% | 0.522 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -132.2 | 122.7 | -179.6 | -78.7 | -174 | -179.1 | -179 | 0 | 108.8 | A46 N49 L53 | A46-K51 CarbonylContact C-O 3.58Å; A46-K51 WeakPolarHBondContact CA-O 3.3Å; A46-K51 WeakPolarHBondContact CB-O 3.39Å; A46-K51 PolarHBondContact O-N 3.03Å; N49-K51 PolarHBondContact O-N 2.9Å; N49-K51 VanDerWaalsContact O-N 3.11Å; K51-L53 PolarHBondContact O-N 3.3Å |
| 52 | P | 49.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 57% | 0.567 | S | S | * | * | trans | -64.2 | 121 | 177.6 | 26.1 | -32.2 | 0 | 0 | 0 | 109.8 | ||||
| 53 | L | 48.4 | Very low | 44.3 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 39% | 0.387 | 59% | 0.594 | S | S | . | * | trans | -99.1 | 142 | 170.4 | -61.8 | 171 | 0 | 0 | 0 | 107.6 | L42 C45 A46 K51 | L42-L53 HydrophobicContact CD2-CB 3.34Å; L42-L53 WeakPolarHBondContact CD2-O 3.29Å; L42-L53 HydrophobicContact CG-CB 3.8Å; C45-L53 HydrophobicContact CB-CD1 3.83Å; A46-L53 HydrophobicContact CB-CB 4.06Å; A46-L53 HydrophobicContact CB-CD1 4.28Å; A46-L53 HydrophobicContact CB-CG 4.05Å; K51-L53 PolarHBondContact O-N 3.3Å | ||
| 54 | K | 49.6 | Very low | 43 | Very low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 61% | 0.607 | S | S | * | * | trans | -130.3 | 142.9 | 174.6 | -75.5 | -173.5 | 175.7 | -174.7 | 0 | 109.9 | R56 | K54-R56 PolarHBondContact O-N 3.48Š| ||
| 55 | F | 43.8 | Very low | 41.8 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 32% | 0.32 | 62% | 0.622 | S | S | . | * | trans | -61.5 | 128.9 | 165.7 | -78 | -86 | 0 | 0 | 0 | 109.2 | C38 E39 L42 | C38-F55 HydrophobicContact CB-CE1 3.72Å; C38-F55 HydrophobicContact CB-CE2 4.41Å; C38-F55 HydrophobicContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact O-CZ 3.29Å; C38-F55 WeakPolarHBondContact O-CZ 3.35Å; E39-F55 HydrophobicContact CB-CE2 4.29Å; L42-F55 HydrophobicContact CB-CD2 4.42Å; L42-F55 HydrophobicContact CB-CE2 3.44Å; L42-F55 VanDerWaalsContact CB-CE2 3.44Å; L42-F55 HydrophobicContact CB-CZ 3.8Å; L42-F55 HydrophobicContact CD1-CD1 4.37Å; L42-F55 HydrophobicContact CD1-CD2 4.11Å; L42-F55 HydrophobicContact CD1-CE1 3.85Å; L42-F55 HydrophobicContact CD1-CE2 3.47Å; L42-F55 VanDerWaalsContact CD1-CE2 3.47Å; L42-F55 HydrophobicContact CD1-CG 4.47Å; L42-F55 HydrophobicContact CD1-CZ 3.33Å; L42-F55 HydrophobicContact CD2-CD2 4.01Å; L42-F55 HydrophobicContact CD2-CE2 3.81Å; L42-F55 HydrophobicContact CG-CD2 4.42Å; L42-F55 HydrophobicContact CG-CE2 3.75Å; L42-F55 HydrophobicContact CG-CZ 4.05Å | ||
| 56 | R | 39.7 | Very low | 40.8 | Very low | 220 Ų | 220 | 134.9 Ų | 134.9 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | trans | -105.1 | 114.1 | 164.8 | -168.9 | 175.1 | -176.4 | 178.8 | -0.1 | 106.9 | K54 I58 | K54-R56 PolarHBondContact O-N 3.48Å; R56-I58 PolarHBondContact O-N 3.3Å | ||
| 57 | Y | 36.7 | Very low | 39.5 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | trans | -63.6 | 118.8 | 166.2 | -77.4 | -91.4 | 0 | 0 | 0 | 107.8 | H35 | H35-Y57 AromaticContact CE1-CZ 3.82Å; H35-Y57 PolarHBondContact CE1-OH 2.86Å | ||
| 58 | I | 34.1 | Very low | 38.2 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | trans | -96.1 | 108.4 | 168.9 | -55 | 175.3 | 0 | 0 | 0 | 104.8 | R56 I60 | R56-I58 PolarHBondContact O-N 3.3Å; I58-I60 PolarHBondContact O-N 3.49Å; I58-I60 VanDerWaalsContact O-N 3.08Å | ||
| 59 | E | 27.4 | Very low | 36.8 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -65.7 | 107.8 | 172.1 | -168.9 | 173.5 | -156.7 | 0 | 0 | 107.6 | T61 | E59-T61 VanDerWaalsContact C-N 3.29Å; E59-T61 PolarHBondContact O-N 3.31Å; E59-T61 VanDerWaalsContact O-N 3.07Å | ||
| 60 | I | 28.5 | Very low | 35.7 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -78.2 | 90.7 | 169.9 | -53.2 | 175.2 | 0 | 0 | 0 | 105 | I58 S62 | I58-I60 PolarHBondContact O-N 3.49Å; I58-I60 VanDerWaalsContact O-N 3.08Å; I60-S62 PolarHBondContact O-N 2.93Å | ||
| 61 | T | 27.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | trans | -59.9 | 113.1 | 162.9 | 53.7 | 0 | 0 | 0 | 0 | 105.7 | E59 M63 | E59-T61 VanDerWaalsContact C-N 3.29Å; E59-T61 PolarHBondContact O-N 3.31Å; E59-T61 VanDerWaalsContact O-N 3.07Å; T61-M63 PolarHBondContact O-N 3.03Å | ||
| 62 | S | 27.5 | Very low | 33.1 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | trans | -54.2 | 116.3 | 163 | 59.3 | 0 | 0 | 0 | 0 | 104.7 | I60 D64 | I60-S62 PolarHBondContact O-N 2.93Å; S62-D64 PolarHBondContact O-N 3.07Å; S62-D64 PolarHBondContact OG-OD1 3.06Å | ||
| 63 | M | 27.7 | Very low | 32.1 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | -60.8 | 98.1 | 152.6 | -90.6 | -158.5 | 149.1 | 0 | 0 | 103.2 | T61 H65 | T61-M63 PolarHBondContact O-N 3.03Å; M63-H65 PolarHBondContact O-N 3.33Å | ||
| 64 | D | 29.1 | Very low | 31.3 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -50.8 | 95.9 | 154.6 | -78.1 | -21.1 | 0 | 0 | 0 | 104.4 | S62 N66 | S62-D64 PolarHBondContact O-N 3.07Å; S62-D64 PolarHBondContact OG-OD1 3.06Å; D64-N66 HydrophobicContact CB-CB 4.39Å; D64-N66 PolarHBondContact O-N 3.11Å | ||
| 65 | H | 31.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | -66.7 | 56.3 | 152.2 | -68.4 | -52.6 | 0 | 0 | 0 | 107 | M63 C67 | M63-H65 PolarHBondContact O-N 3.33Å; H65-C67 PolarHBondContact O-N 3.1Å | ||
| 66 | N | 29.8 | Very low | 29.4 | Very low | 140 Ų | 140 | 155.6 Ų | 155.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -71 | 73.9 | 147.1 | -155.6 | 3.5 | 0 | 0 | 0 | 104.9 | D64 N68 | D64-N66 HydrophobicContact CB-CB 4.39Å; D64-N66 PolarHBondContact O-N 3.11Å; N66-N68 PolarHBondContact O-N 3.11Å | ||
| 67 | C | 27.5 | Very low | 28.9 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | trans | -51.5 | 98 | 157.6 | -79 | 0 | 0 | 0 | 0 | 105.6 | H65 Y69 | H65-C67 PolarHBondContact O-N 3.1Å; C67-Y69 PolarHBondContact O-N 3.42Å | ||
| 68 | N | 25.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -10.5 | 72.9 | 156.1 | -150.3 | 5.4 | 0 | 0 | 0 | 114 | N66 | N66-N68 PolarHBondContact O-N 3.11Š|
| 69 | Y | 27.3 | Very low | 28.2 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -128.5 | 57.6 | 169.8 | -97.7 | -80.3 | 0 | 0 | 0 | 106 | C67 | C67-Y69 PolarHBondContact O-N 3.42Š| ||
| 70 | N | 29.4 | Very low | 28.2 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -175 | 53.9 | 148.6 | -85.7 | -27.8 | 0 | 0 | 0 | 109.6 | K72 | N70-K72 PolarHBondContact O-N 3.45Š| ||
| 71 | Q | 27.3 | Very low | 28.3 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -73 | 71 | 158.7 | -166.8 | -177.3 | 43.7 | 0 | 0 | 108.9 | ||||
| 72 | K | 27.9 | Very low | 28.4 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 159.4 | 91.4 | 160.7 | -98.5 | 170.1 | 173.4 | 174.8 | 0 | 109 | N70 | N70-K72 PolarHBondContact O-N 3.45Š|
| 73 | N | 28.5 | Very low | 28.4 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 165.5 | 89 | 137 | -86.2 | -19.4 | 0 | 0 | 0 | 109.9 | ||
| 74 | R | 31.2 | Very low | 28.6 | Very low | 240 Ų | 240 | 154.7 Ų | 154.7 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | 160.7 | 75.9 | 134.3 | -88.9 | 173.2 | 170.6 | 175.6 | -2.6 | 108.6 | ||||
| 75 | M | 25.7 | Very low | 28.4 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -60.5 | 146.1 | 136.8 | -77.2 | -155.9 | -82 | 0 | 0 | 107.5 | ||||
| 76 | N | 27.7 | Very low | 28.1 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 90.9 | 89.3 | 165.7 | -133.8 | 27.4 | 0 | 0 | 0 | 116.9 | ||||
| 77 | N | 29.8 | Very low | 27.9 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | 176.6 | 111.7 | 100.8 | -87.9 | -14.3 | 0 | 0 | 0 | 111.3 | |||||
| 78 | N | 26.3 | Very low | 27.8 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 24.3 | 130.3 | 138.8 | -78.3 | -7.1 | 0 | 0 | 0 | 121.1 | ||||
| 79 | V | 28.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 157 Ų | 157 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | trans | 129.9 | 114.7 | 130.2 | -176 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 80 | N | 28.2 | Very low | 27.7 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 61.8 | 95.9 | 157 | -60 | -9 | 0 | 0 | 0 | 119.1 | ||||
| 81 | D | 30.3 | Very low | 27.3 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | -173.7 | 91.4 | 123.6 | -97.2 | -24.7 | 0 | 0 | 0 | 108.8 | |||||
| 82 | L | 29.8 | Very low | 27.3 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -128.6 | 74.8 | 171.4 | -158.2 | 93.1 | 0 | 0 | 0 | 107.8 | ||||
| 83 | D | 27.8 | Very low | 27.1 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -134 | 94.5 | 151.2 | -105.8 | -37 | 0 | 0 | 0 | 110.1 | ||
| 84 | K | 30.6 | Very low | 26.9 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 83.2 | 67.6 | 149.6 | -60.7 | 174 | -177.3 | 171.9 | 0 | 118.5 | ||||
| 85 | T | 25.4 | Very low | 26.7 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -81.3 | 112.5 | 128 | 39.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 86 | N | 25.5 | Very low | 26.7 | Very low | 168 Ų | 168 | 139 Ų | 139 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | 176.8 | 93.3 | 153.7 | -91.6 | -16.6 | 0 | 0 | 0 | 110.7 | ||||
| 87 | A | 25.6 | Very low | 26.6 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -164.3 | 72.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T89 | A87-T89 PolarHBondContact O-N 2.83Š| ||
| 88 | L | 26.5 | Very low | 26.4 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -67.1 | 103.7 | 153.5 | -171.8 | 83.8 | 0 | 0 | 0 | 106.7 | ||||
| 89 | T | 24.3 | Very low | 26.4 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -145.6 | 84.4 | 165 | -48.6 | 0 | 0 | 0 | 0 | 109.3 | A87 N91 | A87-T89 PolarHBondContact O-N 2.83Å; T89-N91 HydrophobicContact CG2-CB 4.07Å; T89-N91 PolarHBondContact O-N 3.28Å | ||
| 90 | V | 25.3 | Very low | 26.1 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -74 | 85.4 | 158.9 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | I92 | V90-I92 HydrophobicContact CG1-CD1 3.58Å; V90-I92 HydrophobicContact CG1-CG1 3.62Å; V90-I92 PolarHBondContact O-N 3.39Å | ||
| 91 | N | 22.1 | Very low | 26.1 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 56% | 0.561 | 77% | 0.767 | S | S | * | * | trans | -89.4 | 80.7 | 166.9 | -162.7 | 15.9 | 0 | 0 | 0 | 107.9 | T89 Q93 | T89-N91 HydrophobicContact CG2-CB 4.07Å; T89-N91 PolarHBondContact O-N 3.28Å; N91-Q93 PolarHBondContact ND2-OE1 2.83Å; N91-Q93 PolarHBondContact O-N 2.82Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.2Å | ||
| 92 | I | 26.7 | Very low | 25.8 | Very low | 135 Ų | 135 | 138 Ų | 138 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -76.5 | 77.3 | 162.1 | -61.3 | 164 | 0 | 0 | 0 | 105.8 | V90 N94 | V90-I92 HydrophobicContact CG1-CD1 3.58Å; V90-I92 HydrophobicContact CG1-CG1 3.62Å; V90-I92 PolarHBondContact O-N 3.39Å; I92-N94 PolarHBondContact O-N 3.11Å | ||
| 93 | Q | 22.8 | Very low | 25.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -79.6 | 102.7 | 161.7 | -102 | 174 | -22.9 | 0 | 0 | 107.3 | N91 N95 | N91-Q93 PolarHBondContact ND2-OE1 2.83Å; N91-Q93 PolarHBondContact O-N 2.82Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.2Å; Q93-N95 VanDerWaalsContact C-N 3.34Å; Q93-N95 PolarHBondContact O-N 3.15Å | ||
| 94 | N | 25.5 | Very low | 25.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -50.1 | 93.6 | 164.8 | -87.6 | -22.6 | 0 | 0 | 0 | 110.2 | I92 | I92-N94 PolarHBondContact O-N 3.11Š| ||
| 95 | N | 26.1 | Very low | 25.5 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | -99.1 | 89.4 | 153.8 | -94.3 | -15.3 | 0 | 0 | 0 | 107.8 | Q93 S97 | Q93-N95 VanDerWaalsContact C-N 3.34Å; Q93-N95 PolarHBondContact O-N 3.15Å; N95-S97 PolarHBondContact O-N 3.38Å | ||
| 96 | A | 26.2 | Very low | 25.5 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -66.5 | 80.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 97 | S | 26.5 | Very low | 25.4 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -169.6 | 130.5 | 151.5 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | N95 | N95-S97 PolarHBondContact O-N 3.38Š| ||
| 98 | K | 25.5 | Very low | 25.5 | Very low | 202 Ų | 202 | 135 Ų | 135 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 92 | 117.9 | 172.5 | -57.2 | 174.3 | 177 | 177.4 | 0 | 115.4 | ||
| 99 | C | 25.3 | Very low | 25.4 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | 73.6 | 75.5 | 175.3 | -74.6 | 0 | 0 | 0 | 0 | 116.5 | N101 | C99-N101 PolarHBondContact O-N 2.71Š| ||
| 100 | S | 23.1 | Very low | 25.5 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -59.5 | 87.3 | 146.2 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 101 | N | 26.9 | Very low | 25.6 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 55% | 0.545 | 74% | 0.74 | S | S | . | * | trans | -90.9 | 118.7 | 154.8 | -69.3 | -24.4 | 0 | 0 | 0 | 105.2 | C99 I103 | C99-N101 PolarHBondContact O-N 2.71Å; N101-I103 PolarHBondContact O-N 2.95Å | ||
| 102 | E | 25.2 | Very low | 25.6 | Very low | 200 Ų | 200 | 144.5 Ų | 144.5 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | trans | -57.7 | 111.8 | 168.6 | -80.2 | 173.7 | 148.3 | 0 | 0 | 108 | ||||
| 103 | I | 30.7 | Very low | 25.5 | Very low | 137 Ų | 137 | 148 Ų | 148 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | -90.5 | 116 | 176 | -65.3 | 164.2 | 0 | 0 | 0 | 105.5 | N101 D105 | N101-I103 PolarHBondContact O-N 2.95Å; I103-D105 VanDerWaalsContact C-N 3.26Å; I103-D105 HydrophobicContact CG2-CB 4.37Å; I103-D105 PolarHBondContact O-N 2.94Å | ||
| 104 | L | 25.4 | Very low | 25.5 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 53% | 0.529 | 76% | 0.761 | S | S | . | * | trans | -75.9 | 87.2 | 168.7 | -83.2 | 151.1 | 0 | 0 | 0 | 108.2 | Y106 Y222 | L104-Y106 HydrophobicContact CB-CD2 4.45Å; L104-Y106 HydrophobicContact CB-CE2 4.3Å; L104-Y106 PolarHBondContact O-N 2.82Å; L104-Y106 VanDerWaalsContact O-N 3.13Å; L104-Y222 HydrophobicContact CD1-CE2 3.88Å; L104-Y222 WeakPolarHBondContact CD1-OH 3.45Å | ||
| 105 | D | 24.8 | Very low | 25.4 | Very low | 136 Ų | 136 | 152.7 Ų | 152.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -79.1 | 87.4 | -179.5 | -151.3 | 8.7 | 0 | 0 | 0 | 109 | I103 S107 | I103-D105 VanDerWaalsContact C-N 3.26Å; I103-D105 HydrophobicContact CG2-CB 4.37Å; I103-D105 PolarHBondContact O-N 2.94Å; D105-S107 PolarHBondContact O-N 2.96Å | ||
| 106 | Y | 26.3 | Very low | 25.3 | Very low | 171 Ų | 171 | 156 Ų | 156 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -75.1 | 69.6 | 170.9 | -82 | -86.9 | 0 | 0 | 0 | 109.8 | L104 M108 Y222 | L104-Y106 HydrophobicContact CB-CD2 4.45Å; L104-Y106 HydrophobicContact CB-CE2 4.3Å; L104-Y106 PolarHBondContact O-N 2.82Å; L104-Y106 VanDerWaalsContact O-N 3.13Å; Y106-M108 PolarHBondContact O-N 3.37Å; Y106-M108 VanDerWaalsContact O-N 3.14Å; Y106-Y222 HydrophobicContact CE2-CD2 4.22Å; Y106-Y222 AromaticContact CE2-CE2 3.94Å; Y106-Y222 HydrophobicContact CE2-CE2 3.94Å; Y106-Y222 WeakPolarHBondContact OH-CD2 3.43Å | ||
| 107 | S | 23.8 | Very low | 25.2 | Very low | 97 Ų | 97 | 155.9 Ų | 155.9 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -77 | 96.6 | 163.8 | -147.3 | 0 | 0 | 0 | 0 | 107.4 | D105 K109 | D105-S107 PolarHBondContact O-N 2.96Å; S107-K109 PolarHBondContact O-N 2.91Å | ||
| 108 | M | 27.3 | Very low | 25 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -65.4 | 85.6 | 175.3 | -169.9 | 164.1 | 40.1 | 0 | 0 | 108.6 | Y106 Q110 | Y106-M108 PolarHBondContact O-N 3.37Å; Y106-M108 VanDerWaalsContact O-N 3.14Å; M108-Q110 PolarHBondContact O-N 3.28Å | ||
| 109 | K | 24.8 | Very low | 25 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -55.6 | 112.3 | 163.9 | -82.8 | -179.1 | 176.7 | 176.5 | 0 | 106.2 | S107 M111 | S107-K109 PolarHBondContact O-N 2.91Å; K109-M111 PolarHBondContact O-N 3.32Å | ||
| 110 | Q | 26.4 | Very low | 25.1 | Very low | 175 Ų | 175 | 155.4 Ų | 155.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -51.2 | 100.6 | 171.4 | -70.9 | -178.2 | 6.1 | 0 | 0 | 108.8 | M108 K112 | M108-Q110 PolarHBondContact O-N 3.28Å; Q110-K112 PolarHBondContact O-N 3.36Å | ||
| 111 | M | 25.5 | Very low | 25.3 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -72.4 | 106.4 | 164.9 | -81.5 | -130.4 | -174.2 | 0 | 0 | 106.7 | K109 Y113 | K109-M111 PolarHBondContact O-N 3.32Å; M111-Y113 HydrophobicContact CB-CE2 4.32Å; M111-Y113 WeakPolarHBondContact O-CD2 3.39Å; M111-Y113 PolarHBondContact O-N 3.01Å | ||
| 112 | K | 22.8 | Very low | 25.2 | Very low | 189 Ų | 189 | 157 Ų | 157 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 101.9 | 162.6 | -88 | 179.5 | 171.4 | 178.2 | 0 | 107.8 | Q110 H114 | Q110-K112 PolarHBondContact O-N 3.36Å; K112-H114 PolarHBondContact O-N 3.4Å | ||
| 113 | Y | 24.7 | Very low | 25.6 | Very low | 209 Ų | 209 | 152.8 Ų | 152.8 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 118.5 | 168.3 | -80.5 | -87 | 0 | 0 | 0 | 109.2 | M111 Y115 | M111-Y113 HydrophobicContact CB-CE2 4.32Å; M111-Y113 WeakPolarHBondContact O-CD2 3.39Å; M111-Y113 PolarHBondContact O-N 3.01Å; Y113-Y115 PolarHBondContact O-N 3.48Å |
| 114 | H | 23.1 | Very low | 25.3 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 118 | 165.4 | -88.9 | -69 | 0 | 0 | 0 | 109.1 | K112 Y116 | K112-H114 PolarHBondContact O-N 3.4Å; H114-Y116 PolarHBondContact O-N 2.87Å |
| 115 | Y | 22.7 | Very low | 25.3 | Very low | 229 Ų | 229 | 157.3 Ų | 157.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 126.9 | 166.8 | -101 | -103.2 | 0 | 0 | 0 | 110.5 | Y113 | Y113-Y115 PolarHBondContact O-N 3.48Š|
| 116 | Y | 25.3 | Very low | 25.1 | Very low | 220 Ų | 220 | 155.4 Ų | 155.4 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | trans | -127.4 | 137.3 | 157.8 | -87.7 | -81.8 | 0 | 0 | 0 | 110.4 | H114 | H114-Y116 PolarHBondContact O-N 2.87Š| ||
| 117 | A | 22.6 | Very low | 25.1 | Very low | 101 Ų | 101 | 154 Ų | 154 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -73.1 | 153.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 118 | S | 23.2 | Very low | 25.1 | Very low | 106 Ų | 106 | 154.1 Ų | 154.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -52.3 | 156.5 | -178.9 | -52 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 119 | N | 26.1 | Very low | 24.9 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | -161.3 | 144.1 | 123.6 | -90.4 | -19.7 | 0 | 0 | 0 | 112.6 | |||||
| 120 | T | 26.2 | Very low | 25 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 149.2 | -167.2 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 121 | T | 27.1 | Very low | 24.9 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -172.4 | 138.5 | 131.7 | 25.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 122 | S | 25.7 | Very low | 24.9 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -149.5 | 174.1 | 162.6 | -73.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 123 | P | 34 | Very low | 24.9 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -140.1 | -176 | 5.1 | 20.5 | 7.6 | 0 | 0 | 0 | 114.1 | ||||
| 124 | L | 24 | Very low | 24.9 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | trans | 145 | 121.7 | 133.3 | -94.4 | 85.9 | 0 | 0 | 0 | 117.2 | ||||
| 125 | Y | 24.6 | Very low | 25 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 92.4 | 126.5 | 134 | -80.3 | -121.5 | 0 | 0 | 0 | 125.1 | ||||
| 126 | S | 21.7 | Very low | 25.1 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | 57.2 | 143.3 | 134.9 | -59.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 127 | T | 24.8 | Very low | 25.1 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | cis | -172.1 | 168.2 | 32 | -4.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 128 | A | 24.6 | Very low | 25.1 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 167.2 | -174 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 129 | S | 24.1 | Very low | 25.1 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 123.7 | 115.6 | 136.6 | -166 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 130 | S | 25.6 | Very low | 25.1 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 140 | 125.4 | 115.5 | 64.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 131 | N | 23.7 | Very low | 24.9 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 43.5 | 117.8 | 141.7 | -58.6 | -18 | 0 | 0 | 0 | 122.6 | ||||
| 132 | L | 26.7 | Very low | 24.7 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | -163.8 | 104.2 | 123.4 | -135.2 | 72.1 | 0 | 0 | 0 | 111.6 | |||||
| 133 | H | 22.8 | Very low | 24.6 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -101.6 | 116.5 | 160.5 | -81.7 | -76 | 0 | 0 | 0 | 107.5 | ||||
| 134 | N | 24.1 | Very low | 24.2 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -156 | 130.8 | 155.1 | -95.5 | -22.9 | 0 | 0 | 0 | 111.1 | ||||
| 135 | S | 25.6 | Very low | 24.1 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 60.6 | 107.3 | 162.4 | 58.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 136 | S | 23.9 | Very low | 24.1 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -106.3 | 129.9 | 164.8 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 137 | P | 26.1 | Very low | 24.2 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 130.7 | 160.2 | 26.7 | -14.1 | 0 | 0 | 0 | 109.9 | F139 | P137-F139 PolarHBondContact O-N 3.13Š|
| 138 | T | 23.6 | Very low | 24.2 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.6 | -176.2 | -40 | 0 | 0 | 0 | 0 | 112.2 | ||
| 139 | F | 22.8 | Very low | 24.4 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 123.3 | 160.2 | -94.4 | -87.7 | 0 | 0 | 0 | 108.9 | P137 F141 | P137-F139 PolarHBondContact O-N 3.13Å; F139-F141 VanDerWaalsContact C-N 3.27Å; F139-F141 PolarHBondContact O-N 2.84Å; F139-F141 VanDerWaalsContact O-N 3.12Å |
| 140 | P | 25.4 | Very low | 24.6 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -89.8 | 44.4 | -172.6 | 37.6 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 141 | F | 22.5 | Very low | 25.2 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -162 | 68.5 | 165.4 | -71.9 | -68.1 | 0 | 0 | 0 | 109.6 | F139 | F139-F141 VanDerWaalsContact C-N 3.27Å; F139-F141 PolarHBondContact O-N 2.84Å; F139-F141 VanDerWaalsContact O-N 3.12Å |
| 142 | S | 22.8 | Very low | 25.5 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 55% | 0.552 | 72% | 0.724 | S | S | * | * | trans | -150.5 | 96.9 | 173.2 | 162.8 | 0 | 0 | 0 | 0 | 109.7 | F144 | S142-F144 PolarHBondContact O-N 2.96Š| ||
| 143 | C | 23.5 | Very low | 25.8 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -82.2 | 12.9 | 170.9 | 21 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 144 | F | 24.5 | Very low | 26.4 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 54% | 0.544 | 70% | 0.699 | S | S | . | * | trans | -118.5 | 75 | 173.9 | -66.8 | -66.3 | 0 | 0 | 0 | 110.6 | S142 S146 Q168 | S142-F144 PolarHBondContact O-N 2.96Å; F144-S146 PolarHBondContact O-N 3.07Å; F144-Q168 WeakPolarHBondContact CE1-O 3.28Å; F144-Q168 VanDerWaalsContact CZ-O 3.27Å; F144-Q168 WeakPolarHBondContact CZ-O 3.41Å | ||
| 145 | T | 23.5 | Very low | 27 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | -70.1 | 108.3 | 160.8 | 54.9 | 0 | 0 | 0 | 0 | 107.8 | S147 | T145-S147 PolarHBondContact O-N 3.36Š| ||
| 146 | S | 23.7 | Very low | 28.1 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | trans | -52.2 | 97.9 | 170.4 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | F144 | F144-S146 PolarHBondContact O-N 3.07Š| ||
| 147 | S | 23.7 | Very low | 28.9 | Very low | 82 Ų | 82 | 117 Ų | 117 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | trans | -93.6 | 116.5 | 158.7 | 47.1 | 0 | 0 | 0 | 0 | 106.8 | T145 F149 | T145-S147 PolarHBondContact O-N 3.36Å; S147-F149 PolarHBondContact O-N 3.49Å | ||
| 148 | A | 26.2 | Very low | 29.8 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | -55.4 | 95.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K150 | A148-K150 PolarHBondContact O-N 3.22Å; A148-K150 VanDerWaalsContact O-N 3.1Å | ||
| 149 | F | 28.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 108 Ų | 108 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | trans | -72.1 | 102.4 | 171.3 | -111.8 | -91.9 | 0 | 0 | 0 | 107.7 | S147 F151 L154 | S147-F149 PolarHBondContact O-N 3.49Å; F149-F151 HydrophobicContact CB-CE2 4.47Å; F149-F151 VanDerWaalsContact O-CD2 3.3Å; F149-F151 WeakPolarHBondContact O-CD2 3.16Å; F149-F151 PolarHBondContact O-N 2.94Å; F149-F151 VanDerWaalsContact O-N 3.08Å; F149-L154 HydrophobicContact CD1-CD1 4.26Å; F149-L154 HydrophobicContact CE1-CD1 4.21Å | ||
| 150 | K | 28 | Very low | 32 | Very low | 181 Ų | 181 | 101.8 Ų | 101.8 | 79% | 0.787 | 58% | 0.577 | S | S | * | * | trans | -67.4 | 103.7 | 165 | -84.4 | -179.8 | 173.8 | 177.1 | 0 | 107.8 | A148 S152 | A148-K150 PolarHBondContact O-N 3.22Å; A148-K150 VanDerWaalsContact O-N 3.1Å; K150-S152 PolarHBondContact O-N 3.42Å | ||
| 151 | F | 37.7 | Very low | 33.1 | Very low | 72 Ų | 72 | 100.2 Ų | 100.2 | 32% | 0.316 | 56% | 0.563 | S | S | . | * | trans | -63.8 | 18.3 | 178 | -82.4 | -85.8 | 0 | 0 | 0 | 115.4 | F149 N153 F156 I171 V175 | F149-F151 HydrophobicContact CB-CE2 4.47Å; F149-F151 VanDerWaalsContact O-CD2 3.3Å; F149-F151 WeakPolarHBondContact O-CD2 3.16Å; F149-F151 PolarHBondContact O-N 2.94Å; F149-F151 VanDerWaalsContact O-N 3.08Å; F151-N153 VanDerWaalsContact C-N 3.27Å; F151-N153 PolarHBondContact O-N 2.99Å; F151-N153 VanDerWaalsContact O-N 3.13Å; F151-F156 HydrophobicContact CD1-CZ 4.44Å; F151-F156 HydrophobicContact CE1-CZ 4.25Å; F151-I171 HydrophobicContact CE1-CD1 4.35Å; F151-I171 HydrophobicContact CE1-CG1 4.01Å; F151-I171 HydrophobicContact CE1-CG2 4.25Å; F151-I171 HydrophobicContact CZ-CB 4.21Å; F151-I171 HydrophobicContact CZ-CG1 3.83Å; F151-I171 HydrophobicContact CZ-CG2 3.87Å; F151-V175 HydrophobicContact CD1-CG1 4.47Å; F151-V175 HydrophobicContact CD2-CG1 3.76Å; F151-V175 HydrophobicContact CE1-CG1 4.49Å; F151-V175 HydrophobicContact CE2-CG1 3.78Å; F151-V175 HydrophobicContact CG-CG1 4.12Å; F151-V175 HydrophobicContact CZ-CG1 4.15Å | ||
| 152 | S | 30 | Very low | 34.5 | Very low | 91 Ų | 91 | 90.5 Ų | 90.5 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -1.4 | -166.6 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | K150 | K150-S152 PolarHBondContact O-N 3.42Š|
| 153 | N | 33.3 | Very low | 35.9 | Very low | 148 Ų | 148 | 87.2 Ų | 87.2 | 79% | 0.791 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.5 | 29.6 | -173.1 | -88.3 | -32 | 0 | 0 | 0 | 117.2 | F151 P155 | F151-N153 VanDerWaalsContact C-N 3.27Å; F151-N153 PolarHBondContact O-N 2.99Å; F151-N153 VanDerWaalsContact O-N 3.13Å; N153-P155 WeakPolarHBondContact O-CD 3.49Å |
| 154 | L | 35.2 | Very low | 37.1 | Very low | 82 Ų | 82 | 84.8 Ų | 84.8 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | trans | -93.1 | 110.3 | 176.3 | -83.5 | 144.2 | 0 | 0 | 0 | 111 | F149 F156 | F149-L154 HydrophobicContact CD1-CD1 4.26Å; F149-L154 HydrophobicContact CE1-CD1 4.21Å; L154-F156 HydrophobicContact CB-CE1 4.33Å; L154-F156 HydrophobicContact CB-CE2 4.43Å; L154-F156 HydrophobicContact CB-CZ 4.19Å; L154-F156 PolarHBondContact O-N 3.5Å; L154-F156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | P | 37.2 | Very low | 38.4 | Very low | 91 Ų | 91 | 81 Ų | 81 | 59% | 0.591 | 46% | 0.46 | S | S | * | . | trans | -73.3 | 101.6 | 161.2 | 31.4 | -27.2 | 0 | 0 | 0 | 105.7 | N153 N157 | N153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-N157 VanDerWaalsContact C-N 3.27Å; P155-N157 PolarHBondContact O-N 2.91Å | ||
| 156 | F | 47.7 | Very low | 39.9 | Very low | 60 Ų | 60 | 76 Ų | 76 | 26% | 0.263 | 43% | 0.429 | S | S | . | . | trans | -66.5 | 96.7 | 169.7 | -63.2 | -72.7 | 0 | 0 | 0 | 107.3 | F151 L154 S158 I162 L165 I171 | F151-F156 HydrophobicContact CD1-CZ 4.44Å; F151-F156 HydrophobicContact CE1-CZ 4.25Å; L154-F156 HydrophobicContact CB-CE1 4.33Å; L154-F156 HydrophobicContact CB-CE2 4.43Å; L154-F156 HydrophobicContact CB-CZ 4.19Å; L154-F156 PolarHBondContact O-N 3.5Å; L154-F156 VanDerWaalsContact O-N 3.12Å; F156-S158 PolarHBondContact O-N 3.19Å; F156-I162 HydrophobicContact CB-CD1 3.7Å; F156-I162 HydrophobicContact CB-CG1 3.82Å; F156-I162 HydrophobicContact CD1-CD1 4.12Å; F156-I162 HydrophobicContact CD1-CG1 3.42Å; F156-I162 VanDerWaalsContact CD1-CG1 3.42Å; F156-I162 HydrophobicContact CD2-CD1 4.2Å; F156-I162 HydrophobicContact CD2-CG1 4.35Å; F156-I162 HydrophobicContact CE1-CG1 4.03Å; F156-I162 HydrophobicContact CG-CD1 3.75Å; F156-I162 HydrophobicContact CG-CG1 3.61Å; F156-L165 HydrophobicContact CE1-CD1 3.93Å; F156-I171 HydrophobicContact CE1-CD1 4.09Å; F156-I171 HydrophobicContact CZ-CD1 4.23Å | ||
| 157 | N | 40.6 | Very low | 41.2 | Very low | 140 Ų | 140 | 74.8 Ų | 74.8 | 75% | 0.749 | 41% | 0.41 | S | S | * | . | trans | -72.3 | -18.4 | -176.3 | -70.1 | -31.6 | 0 | 0 | 0 | 111.5 | P155 | P155-N157 VanDerWaalsContact C-N 3.27Å; P155-N157 PolarHBondContact O-N 2.91Å | ||
| 158 | S | 44.5 | Very low | 42.3 | Very low | 41 Ų | 41 | 75.3 Ų | 75.3 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | trans | -152.5 | 155.8 | 175.4 | 79 | 0 | 0 | 0 | 0 | 113.7 | F156 N160 D161 | F156-S158 PolarHBondContact O-N 3.19Å; S158-N160 PolarHBondContact O-N 3.37Å; S158-D161 PolarHBondContact N-OD2 3.39Å; S158-D161 PolarHBondContact O-N 3.17Å; S158-D161 VanDerWaalsContact OG-CG 3.24Å; S158-D161 PolarHBondContact OG-N 2.99Å; S158-D161 PolarHBondContact OG-OD2 3.39Å | ||
| 159 | L | 48.4 | Very low | 43.4 | Very low | 14 Ų | 14 | 73.4 Ų | 73.4 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.3 | -29.4 | 174.8 | -132.2 | 160.5 | 0 | 0 | 0 | 111.4 | P30 D161 I162 L163 Y209 N212 I216 | P30-L159 HydrophobicContact CB-CB 4.05Å; P30-L159 HydrophobicContact CG-CB 4.15Å; L159-D161 VanDerWaalsContact C-N 3.34Å; L159-D161 PolarHBondContact O-N 3.28Å; L159-I162 PolarHBondContact O-N 3.46Å; L159-L163 HydrophobicContact CD2-CD1 4.05Å; L159-L163 HydrophobicContact CD2-CG 4.16Å; L159-L163 WeakPolarHBondContact O-CG 3.29Å; L159-L163 PolarHBondContact O-N 3.25Å; L159-Y209 HydrophobicContact CB-CD2 4.2Å; L159-Y209 HydrophobicContact CB-CE2 3.56Å; L159-Y209 HydrophobicContact CD1-CD2 3.6Å; L159-Y209 HydrophobicContact CD1-CE2 3.75Å; L159-Y209 HydrophobicContact CD1-CG 4.29Å; L159-Y209 HydrophobicContact CG-CD2 4.03Å; L159-Y209 HydrophobicContact CG-CE2 3.62Å; L159-N212 HydrophobicContact CD1-CB 3.79Å; L159-I216 HydrophobicContact CD2-CD1 3.29Å |
| 160 | N | 45.2 | Very low | 44.3 | Very low | 50 Ų | 50 | 71 Ų | 71 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.3 | -107.8 | 8.3 | 0 | 0 | 0 | 111.9 | P30 S158 I162 L163 I164 | P30-N160 WeakPolarHBondContact CA-OD1 3.32Å; S158-N160 PolarHBondContact O-N 3.37Å; N160-I162 VanDerWaalsContact C-N 3.27Å; N160-I162 PolarHBondContact O-N 3.35Å; N160-L163 PolarHBondContact O-N 2.91Å; N160-I164 WeakPolarHBondContact O-CB 3.36Å; N160-I164 WeakPolarHBondContact O-CD1 3.32Å; N160-I164 WeakPolarHBondContact O-CG1 3.43Å; N160-I164 PolarHBondContact O-N 2.98Å |
| 161 | D | 47.6 | Very low | 45.5 | Very low | 69 Ų | 69 | 62.9 Ų | 62.9 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 179.2 | -58.3 | -46.5 | 0 | 0 | 0 | 110.7 | S158 L159 I164 L165 | S158-D161 PolarHBondContact N-OD2 3.39Å; S158-D161 PolarHBondContact O-N 3.17Å; S158-D161 VanDerWaalsContact OG-CG 3.24Å; S158-D161 PolarHBondContact OG-N 2.99Å; S158-D161 PolarHBondContact OG-OD2 3.39Å; L159-D161 VanDerWaalsContact C-N 3.34Å; L159-D161 PolarHBondContact O-N 3.28Å; D161-I164 PolarHBondContact O-N 2.85Å; D161-L165 WeakPolarHBondContact O-CB 3.47Å; D161-L165 WeakPolarHBondContact O-CD1 3.15Å; D161-L165 WeakPolarHBondContact O-CG 3.37Å; D161-L165 PolarHBondContact O-N 3.02Å |
| 162 | I | 53.6 | Low | 46.3 | Very low | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 176.3 | -65.1 | 175.7 | 0 | 0 | 0 | 110.9 | F156 L159 N160 L165 L166 L176 L213 | F156-I162 HydrophobicContact CB-CD1 3.7Å; F156-I162 HydrophobicContact CB-CG1 3.82Å; F156-I162 HydrophobicContact CD1-CD1 4.12Å; F156-I162 HydrophobicContact CD1-CG1 3.42Å; F156-I162 VanDerWaalsContact CD1-CG1 3.42Å; F156-I162 HydrophobicContact CD2-CD1 4.2Å; F156-I162 HydrophobicContact CD2-CG1 4.35Å; F156-I162 HydrophobicContact CE1-CG1 4.03Å; F156-I162 HydrophobicContact CG-CD1 3.75Å; F156-I162 HydrophobicContact CG-CG1 3.61Å; L159-I162 PolarHBondContact O-N 3.46Å; N160-I162 VanDerWaalsContact C-N 3.27Å; N160-I162 PolarHBondContact O-N 3.35Å; I162-L165 PolarHBondContact O-N 3.45Å; I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.5Å; I162-L166 WeakPolarHBondContact O-CB 3.37Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.39Å; I162-L166 PolarHBondContact O-N 3.35Å; I162-L176 HydrophobicContact CG2-CD1 3.57Å; I162-L176 HydrophobicContact CG2-CD2 3.88Å; I162-L176 HydrophobicContact CG2-CG 4.34Å; I162-L213 HydrophobicContact CD1-CD1 3.93Å; I162-L213 HydrophobicContact CD1-CD2 3.89Å; I162-L213 HydrophobicContact CD1-CG 4.28Å; I162-L213 HydrophobicContact CG2-CD2 4.07Å |
| 163 | L | 51 | Low | 47.3 | Very low | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 177.7 | -77.3 | 168.1 | 0 | 0 | 0 | 112.4 | P30 L33 L34 L159 N160 L166 Q167 I216 | P30-L163 HydrophobicContact CB-CD1 3.83Å; P30-L163 VanDerWaalsContact O-CD1 3.23Å; P30-L163 WeakPolarHBondContact O-CD1 3.44Å; L33-L163 HydrophobicContact CD2-CB 3.86Å; L33-L163 HydrophobicContact CD2-CD1 4.24Å; L34-L163 HydrophobicContact CB-CD2 4.36Å; L34-L163 HydrophobicContact CD1-CD2 4.05Å; L159-L163 HydrophobicContact CD2-CD1 4.05Å; L159-L163 HydrophobicContact CD2-CG 4.16Å; L159-L163 WeakPolarHBondContact O-CG 3.29Å; L159-L163 PolarHBondContact O-N 3.25Å; N160-L163 PolarHBondContact O-N 2.91Å; L163-L166 PolarHBondContact O-N 3.45Å; L163-Q167 VanDerWaalsContact O-CB 3.3Å; L163-Q167 WeakPolarHBondContact O-CB 3.29Å; L163-Q167 PolarHBondContact O-N 2.97Å; L163-I216 HydrophobicContact CD1-CD1 4.31Å; L163-I216 HydrophobicContact CD2-CD1 3.66Å; L163-I216 HydrophobicContact CD2-CG1 4.05Å; L163-I216 HydrophobicContact CD2-CG2 3.99Å; L163-I216 HydrophobicContact CG-CD1 4.09Å |
| 164 | I | 49.2 | Very low | 48.1 | Very low | 68 Ų | 68 | 57.5 Ų | 57.5 | 35% | 0.349 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.9 | -70.9 | 165.7 | 0 | 0 | 0 | 110.3 | L33 N160 D161 L166 Q167 Q168 | L33-I164 HydrophobicContact CD2-CG1 4.41Å; N160-I164 WeakPolarHBondContact O-CB 3.36Å; N160-I164 WeakPolarHBondContact O-CD1 3.32Å; N160-I164 WeakPolarHBondContact O-CG1 3.43Å; N160-I164 PolarHBondContact O-N 2.98Å; D161-I164 PolarHBondContact O-N 2.85Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.42Å; I164-Q167 PolarHBondContact O-N 3.35Å; I164-Q168 WeakPolarHBondContact O-CB 3.33Å; I164-Q168 VanDerWaalsContact O-CG 3.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.44Å; I164-Q168 PolarHBondContact O-N 3.08Å |
| 165 | L | 51.2 | Low | 48.9 | Very low | 43 Ų | 43 | 55.9 Ų | 55.9 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 178.8 | -70.5 | 168.3 | 0 | 0 | 0 | 112 | F156 D161 I162 Q168 G169 L170 I171 | F156-L165 HydrophobicContact CE1-CD1 3.93Å; D161-L165 WeakPolarHBondContact O-CB 3.47Å; D161-L165 WeakPolarHBondContact O-CD1 3.15Å; D161-L165 WeakPolarHBondContact O-CG 3.37Å; D161-L165 PolarHBondContact O-N 3.02Å; I162-L165 PolarHBondContact O-N 3.45Å; L165-Q168 CarbonylContact O-C 3.57Å; L165-Q168 PolarHBondContact O-N 3.49Å; L165-G169 PolarHBondContact O-N 3.23Å; L165-L170 HydrophobicContact CD2-CB 4.18Å; L165-L170 HydrophobicContact CD2-CD1 3.89Å; L165-L170 PolarHBondContact O-N 3.14Å; L165-I171 HydrophobicContact CB-CD1 3.4Å; L165-I171 VanDerWaalsContact CB-CD1 3.4Å; L165-I171 HydrophobicContact CB-CG1 3.77Å; L165-I171 HydrophobicContact CD1-CD1 3.74Å; L165-I171 HydrophobicContact CD1-CG1 4.47Å; L165-I171 HydrophobicContact CG-CD1 4.19Å |
| 166 | L | 54.4 | Low | 49.6 | Very low | 19 Ų | 19 | 51.9 Ų | 51.9 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 172.1 | -80.7 | 167 | 0 | 0 | 0 | 112.6 | I162 L163 I164 Q168 G169 I171 L176 I216 L220 | I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.5Å; I162-L166 WeakPolarHBondContact O-CB 3.37Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.39Å; I162-L166 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.45Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.42Å; L166-Q168 PolarHBondContact O-N 3.06Å; L166-G169 PolarHBondContact O-N 3.15Å; L166-I171 HydrophobicContact CD2-CB 4.2Å; L166-I171 HydrophobicContact CD2-CG2 4.39Å; L166-L176 HydrophobicContact CD1-CD1 3.65Å; L166-L176 HydrophobicContact CD2-CD1 3.71Å; L166-L176 HydrophobicContact CG-CD1 3.68Å; L166-I216 HydrophobicContact CD1-CG2 3.52Å; L166-L220 HydrophobicContact CB-CD1 4.11Å; L166-L220 HydrophobicContact CD1-CD1 3.3Å; L166-L220 HydrophobicContact CD2-CD1 3.22Å; L166-L220 HydrophobicContact CD2-CG 4.46Å; L166-L220 HydrophobicContact CG-CD1 3.67Å |
| 167 | Q | 51 | Low | 49.7 | Very low | 95 Ų | 95 | 51.2 Ų | 51.2 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -32 | 177.2 | -169.3 | 177.4 | 8.6 | 0 | 0 | 111.5 | L163 I164 G169 | L163-Q167 VanDerWaalsContact O-CB 3.3Å; L163-Q167 WeakPolarHBondContact O-CB 3.29Å; L163-Q167 PolarHBondContact O-N 2.97Å; I164-Q167 PolarHBondContact O-N 3.35Å; Q167-G169 VanDerWaalsContact C-N 3.29Å |
| 168 | Q | 48.8 | Very low | 50 | Low | 94 Ų | 94 | 47.2 Ų | 47.2 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.4 | 173.3 | -66.1 | 178.2 | 17.1 | 0 | 0 | 113.1 | F144 I164 L165 L166 L170 | F144-Q168 WeakPolarHBondContact CE1-O 3.28Å; F144-Q168 VanDerWaalsContact CZ-O 3.27Å; F144-Q168 WeakPolarHBondContact CZ-O 3.41Å; I164-Q168 WeakPolarHBondContact O-CB 3.33Å; I164-Q168 VanDerWaalsContact O-CG 3.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.44Å; I164-Q168 PolarHBondContact O-N 3.08Å; L165-Q168 CarbonylContact O-C 3.57Å; L165-Q168 PolarHBondContact O-N 3.49Å; L166-Q168 PolarHBondContact O-N 3.06Å; Q168-L170 HydrophobicContact CB-CD1 3.85Å; Q168-L170 HydrophobicContact CB-CG 3.85Å; Q168-L170 PolarHBondContact O-N 2.74Å; Q168-L170 VanDerWaalsContact O-N 3.1Å; Q168-L170 VanDerWaalsContact OE1-CD1 3.23Å |
| 169 | G | 48.5 | Very low | 50 | Low | 55 Ų | 55 | 47.1 Ų | 47.1 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L165 L166 Q167 | L165-G169 PolarHBondContact O-N 3.23Å; L166-G169 PolarHBondContact O-N 3.15Å; Q167-G169 VanDerWaalsContact C-N 3.29Å |
| 170 | L | 48.1 | Very low | 49.9 | Very low | 65 Ų | 65 | 46.9 Ų | 46.9 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | trans | -86.9 | -10.9 | -178.2 | -65.8 | 175 | 0 | 0 | 0 | 112.6 | L165 Q168 | L165-L170 HydrophobicContact CD2-CB 4.18Å; L165-L170 HydrophobicContact CD2-CD1 3.89Å; L165-L170 PolarHBondContact O-N 3.14Å; Q168-L170 HydrophobicContact CB-CD1 3.85Å; Q168-L170 HydrophobicContact CB-CG 3.85Å; Q168-L170 PolarHBondContact O-N 2.74Å; Q168-L170 VanDerWaalsContact O-N 3.1Å; Q168-L170 VanDerWaalsContact OE1-CD1 3.23Å | ||
| 171 | I | 53.5 | Low | 49.5 | Very low | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -120.9 | 128.9 | 173.2 | -61.5 | 173.3 | 0 | 0 | 0 | 109.1 | F151 F156 L165 L166 P173 L176 | F151-I171 HydrophobicContact CE1-CD1 4.35Å; F151-I171 HydrophobicContact CE1-CG1 4.01Å; F151-I171 HydrophobicContact CE1-CG2 4.25Å; F151-I171 HydrophobicContact CZ-CB 4.21Å; F151-I171 HydrophobicContact CZ-CG1 3.83Å; F151-I171 HydrophobicContact CZ-CG2 3.87Å; F156-I171 HydrophobicContact CE1-CD1 4.09Å; F156-I171 HydrophobicContact CZ-CD1 4.23Å; L165-I171 HydrophobicContact CB-CD1 3.4Å; L165-I171 VanDerWaalsContact CB-CD1 3.4Å; L165-I171 HydrophobicContact CB-CG1 3.77Å; L165-I171 HydrophobicContact CD1-CD1 3.74Å; L165-I171 HydrophobicContact CD1-CG1 4.47Å; L165-I171 HydrophobicContact CG-CD1 4.19Å; L166-I171 HydrophobicContact CD2-CB 4.2Å; L166-I171 HydrophobicContact CD2-CG2 4.39Å; I171-P173 WeakPolarHBondContact O-CD 3.43Å; I171-L176 HydrophobicContact CB-CD1 4.13Å; I171-L176 HydrophobicContact CD1-CD1 4.03Å; I171-L176 HydrophobicContact CG2-CB 4.11Å; I171-L176 HydrophobicContact CG2-CD1 3.38Å; I171-L176 HydrophobicContact CG2-CG 3.82Å |
| 172 | D | 53.5 | Low | 49 | Very low | 83 Ų | 83 | 49.7 Ų | 49.7 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | trans | -68.8 | 121.7 | 166 | -173 | -23.4 | 0 | 0 | 0 | 109.3 | E174 V175 L176 | D172-E174 PolarHBondContact O-N 2.93Å; D172-E174 VanDerWaalsContact O-N 3.15Å; D172-E174 PolarHBondContact OD1-N 3.45Å; D172-V175 HydrophobicContact CB-CB 4.2Å; D172-V175 HydrophobicContact CB-CG2 3.81Å; D172-V175 WeakPolarHBondContact O-CB 3.42Å; D172-V175 PolarHBondContact O-N 3.34Å; D172-L176 PolarHBondContact O-N 3.49Å; D172-L176 VanDerWaalsContact O-N 3.16Å | ||
| 173 | P | 51.2 | Low | 48.3 | Very low | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.7 | -33.4 | 177.8 | -24.2 | 32.6 | 0 | 0 | 0 | 113.7 | I171 V175 L176 L177 L220 | I171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-V175 VanDerWaalsContact C-N 3.35Å; P173-L176 WeakPolarHBondContact O-CB 3.46Å; P173-L176 PolarHBondContact O-N 2.94Å; P173-L177 PolarHBondContact O-N 3.29Å; P173-L220 HydrophobicContact CB-CB 3.74Å; P173-L220 HydrophobicContact CG-CB 3.73Å; P173-L220 HydrophobicContact CG-CD1 4.49Å |
| 174 | E | 50.8 | Low | 47.4 | Very low | 92 Ų | 92 | 56.8 Ų | 56.8 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69 | -34.5 | 178.8 | -68.4 | -168.8 | 164.4 | 0 | 0 | 112.2 | D172 L176 L177 S178 I240 | D172-E174 PolarHBondContact O-N 2.93Å; D172-E174 VanDerWaalsContact O-N 3.15Å; D172-E174 PolarHBondContact OD1-N 3.45Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L177 PolarHBondContact O-N 3.22Å; E174-S178 PolarHBondContact O-N 2.85Å; E174-S178 VanDerWaalsContact O-N 3.08Å; E174-S178 PolarHBondContact O-OG 3.08Å; E174-I240 WeakPolarHBondContact OE1-CG1 3.28Å |
| 175 | V | 51.3 | Low | 46.6 | Very low | 47 Ų | 47 | 60 Ų | 60 | 29% | 0.285 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -32.5 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | F151 D172 P173 S178 S179 | F151-V175 HydrophobicContact CD1-CG1 4.47Å; F151-V175 HydrophobicContact CD2-CG1 3.76Å; F151-V175 HydrophobicContact CE1-CG1 4.49Å; F151-V175 HydrophobicContact CE2-CG1 3.78Å; F151-V175 HydrophobicContact CG-CG1 4.12Å; F151-V175 HydrophobicContact CZ-CG1 4.15Å; D172-V175 HydrophobicContact CB-CB 4.2Å; D172-V175 HydrophobicContact CB-CG2 3.81Å; D172-V175 WeakPolarHBondContact O-CB 3.42Å; D172-V175 PolarHBondContact O-N 3.34Å; P173-V175 VanDerWaalsContact C-N 3.35Å; V175-S178 WeakPolarHBondContact CA-OG 3.12Å; V175-S178 PolarHBondContact O-OG 2.94Å; V175-S179 WeakPolarHBondContact O-CB 3.33Å; V175-S179 PolarHBondContact O-N 2.95Å; V175-S179 VanDerWaalsContact O-N 3.14Å; V175-S179 PolarHBondContact O-OG 3.34Å |
| 176 | L | 52 | Low | 45.7 | Very low | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 173.9 | -122.6 | 158.2 | 0 | 0 | 0 | 111.7 | I162 L166 I171 D172 P173 E174 S178 S179 V180 L213 | I162-L176 HydrophobicContact CG2-CD1 3.57Å; I162-L176 HydrophobicContact CG2-CD2 3.88Å; I162-L176 HydrophobicContact CG2-CG 4.34Å; L166-L176 HydrophobicContact CD1-CD1 3.65Å; L166-L176 HydrophobicContact CD2-CD1 3.71Å; L166-L176 HydrophobicContact CG-CD1 3.68Å; I171-L176 HydrophobicContact CB-CD1 4.13Å; I171-L176 HydrophobicContact CD1-CD1 4.03Å; I171-L176 HydrophobicContact CG2-CB 4.11Å; I171-L176 HydrophobicContact CG2-CD1 3.38Å; I171-L176 HydrophobicContact CG2-CG 3.82Å; D172-L176 PolarHBondContact O-N 3.49Å; D172-L176 VanDerWaalsContact O-N 3.16Å; P173-L176 WeakPolarHBondContact O-CB 3.46Å; P173-L176 PolarHBondContact O-N 2.94Å; E174-L176 VanDerWaalsContact C-N 3.3Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 2.89Å; L176-S179 PolarHBondContact O-N 3.2Å; L176-V180 HydrophobicContact CD2-CG2 4.44Å; L176-V180 VanDerWaalsContact O-CG2 3.32Å; L176-V180 WeakPolarHBondContact O-CG2 3.13Å; L176-V180 PolarHBondContact O-N 3.02Å; L176-L213 HydrophobicContact CD2-CD2 3.23Å |
| 177 | L | 48.9 | Very low | 44.7 | Very low | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -41 | 177.9 | -158.9 | 79.5 | 0 | 0 | 0 | 112.1 | P173 E174 N181 S217 Y218 | P173-L177 PolarHBondContact O-N 3.29Å; E174-L177 PolarHBondContact O-N 3.22Å; L177-N181 PolarHBondContact O-N 3.4Å; L177-N181 PolarHBondContact O-ND2 2.96Å; L177-S217 WeakPolarHBondContact CD1-OG 3.31Å; L177-Y218 HydrophobicContact CD1-CD1 4.43Å; L177-Y218 HydrophobicContact CD1-CE1 4.33Å |
| 178 | S | 47.5 | Very low | 43.7 | Very low | 56 Ų | 56 | 67.7 Ų | 67.7 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.7 | -36.7 | 176.5 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | E174 V175 L176 N181 I182 | E174-S178 PolarHBondContact O-N 2.85Å; E174-S178 VanDerWaalsContact O-N 3.08Å; E174-S178 PolarHBondContact O-OG 3.08Å; V175-S178 WeakPolarHBondContact CA-OG 3.12Å; V175-S178 PolarHBondContact O-OG 2.94Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 2.89Å; S178-N181 PolarHBondContact O-N 3.29Å; S178-I182 VanDerWaalsContact O-CG1 3.28Å; S178-I182 WeakPolarHBondContact O-CG1 3.32Å; S178-I182 PolarHBondContact O-N 3.47Å; S178-I182 VanDerWaalsContact O-N 3.08Å |
| 179 | S | 45.1 | Very low | 42.8 | Very low | 40 Ų | 40 | 67.1 Ų | 67.1 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 176.1 | -56 | 0 | 0 | 0 | 0 | 112.8 | V175 L176 I182 L183 | V175-S179 WeakPolarHBondContact O-CB 3.33Å; V175-S179 PolarHBondContact O-N 2.95Å; V175-S179 VanDerWaalsContact O-N 3.14Å; V175-S179 PolarHBondContact O-OG 3.34Å; L176-S179 PolarHBondContact O-N 3.2Å; S179-I182 PolarHBondContact O-N 3.46Å; S179-L183 PolarHBondContact O-N 3.48Å; S179-L183 VanDerWaalsContact O-N 3.15Å |
| 180 | V | 45.9 | Very low | 42 | Very low | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L176 I182 L183 Q184 F210 L213 | L176-V180 HydrophobicContact CD2-CG2 4.44Å; L176-V180 VanDerWaalsContact O-CG2 3.32Å; L176-V180 WeakPolarHBondContact O-CG2 3.13Å; L176-V180 PolarHBondContact O-N 3.02Å; V180-I182 VanDerWaalsContact C-N 3.35Å; V180-I182 PolarHBondContact O-N 3.5Å; V180-L183 PolarHBondContact O-N 3.14Å; V180-Q184 PolarHBondContact O-N 3.41Å; V180-F210 HydrophobicContact CG1-CD1 3.98Å; V180-F210 HydrophobicContact CG1-CE1 4.32Å; V180-L213 HydrophobicContact CG2-CB 4.01Å; V180-L213 HydrophobicContact CG2-CD2 3.85Å; V180-L213 HydrophobicContact CG2-CG 4.37Å |
| 181 | N | 36.2 | Very low | 41.1 | Very low | 80 Ų | 80 | 76.8 Ų | 76.8 | 43% | 0.428 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 175.6 | -81.9 | -32.9 | 0 | 0 | 0 | 112.9 | L177 S178 Q185 | L177-N181 PolarHBondContact O-N 3.4Å; L177-N181 PolarHBondContact O-ND2 2.96Å; S178-N181 PolarHBondContact O-N 3.29Å; N181-Q185 WeakPolarHBondContact O-CG 3.38Å; N181-Q185 PolarHBondContact O-N 2.95Å; N181-Q185 VanDerWaalsContact O-N 3.17Å |
| 182 | I | 37.3 | Very low | 39.7 | Very low | 98 Ų | 98 | 83.5 Ų | 83.5 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 177.4 | -68 | 163.9 | 0 | 0 | 0 | 111.2 | S178 S179 V180 Q185 Q186 | S178-I182 VanDerWaalsContact O-CG1 3.28Å; S178-I182 WeakPolarHBondContact O-CG1 3.32Å; S178-I182 PolarHBondContact O-N 3.47Å; S178-I182 VanDerWaalsContact O-N 3.08Å; S179-I182 PolarHBondContact O-N 3.46Å; V180-I182 VanDerWaalsContact C-N 3.35Å; V180-I182 PolarHBondContact O-N 3.5Å; I182-Q185 PolarHBondContact O-N 3.41Å; I182-Q186 PolarHBondContact O-N 3.39Å; I182-Q186 VanDerWaalsContact O-N 3.11Å |
| 183 | L | 37.9 | Very low | 38.3 | Very low | 89 Ų | 89 | 86.3 Ų | 86.3 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 178.5 | -109.3 | 129.9 | 0 | 0 | 0 | 112.4 | S179 V180 Q185 Q186 S187 F210 | S179-L183 PolarHBondContact O-N 3.48Å; S179-L183 VanDerWaalsContact O-N 3.15Å; V180-L183 PolarHBondContact O-N 3.14Å; L183-Q185 PolarHBondContact O-N 3.19Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; L183-S187 PolarHBondContact O-N 2.88Å; L183-S187 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-OG 2.89Å; L183-S187 VanDerWaalsContact O-OG 3.07Å; L183-F210 HydrophobicContact CB-CE1 3.55Å; L183-F210 HydrophobicContact CB-CZ 3.46Å; L183-F210 VanDerWaalsContact CB-CZ 3.46Å; L183-F210 HydrophobicContact CD1-CZ 4.44Å; L183-F210 HydrophobicContact CD2-CE2 4.34Å; L183-F210 HydrophobicContact CD2-CZ 3.62Å; L183-F210 HydrophobicContact CG-CZ 3.99Å |
| 184 | Q | 33.7 | Very low | 37.1 | Very low | 73 Ų | 73 | 91.3 Ų | 91.3 | 34% | 0.341 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -31.9 | 176.1 | -153 | 169.5 | 22.8 | 0 | 0 | 111.6 | V180 T188 | V180-Q184 PolarHBondContact O-N 3.41Å; Q184-T188 PolarHBondContact O-OG1 3.48Å |
| 185 | Q | 32.5 | Very low | 35.8 | Very low | 136 Ų | 136 | 92.1 Ų | 92.1 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.7 | -30.7 | 172.9 | -73.5 | -173 | 19.3 | 0 | 0 | 113.8 | N181 I182 L183 T188 S189 | N181-Q185 WeakPolarHBondContact O-CG 3.38Å; N181-Q185 PolarHBondContact O-N 2.95Å; N181-Q185 VanDerWaalsContact O-N 3.17Å; I182-Q185 PolarHBondContact O-N 3.41Å; L183-Q185 PolarHBondContact O-N 3.19Å; Q185-T188 WeakPolarHBondContact CA-OG1 3.36Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-OG1 3.19Å; Q185-S189 PolarHBondContact O-N 3.27Å; Q185-S189 VanDerWaalsContact O-N 3.17Å; Q185-S189 PolarHBondContact O-OG 2.91Å |
| 186 | Q | 32.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.4 | -29.7 | 175.1 | -74.2 | -177.5 | -1.3 | 0 | 0 | 112.9 | I182 L183 T188 S189 S190 | I182-Q186 PolarHBondContact O-N 3.39Å; I182-Q186 VanDerWaalsContact O-N 3.11Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-T188 VanDerWaalsContact C-N 3.28Å; Q186-T188 PolarHBondContact O-N 3.25Å; Q186-S189 PolarHBondContact O-N 2.97Å; Q186-S190 PolarHBondContact O-N 2.97Å; Q186-S190 PolarHBondContact O-OG 2.94Å |
| 187 | S | 32.2 | Very low | 33.3 | Very low | 82 Ų | 82 | 107.8 Ų | 107.8 | 57% | 0.573 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.8 | -32.4 | 171.6 | -43.7 | 0 | 0 | 0 | 0 | 112 | L183 | L183-S187 PolarHBondContact O-N 2.88Å; L183-S187 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-OG 2.89Å; L183-S187 VanDerWaalsContact O-OG 3.07Å |
| 188 | T | 31.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 112 Ų | 112 | 73% | 0.73 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -86.5 | -13.8 | 177.7 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | Q184 Q185 Q186 | Q184-T188 PolarHBondContact O-OG1 3.48Å; Q185-T188 WeakPolarHBondContact CA-OG1 3.36Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-OG1 3.19Å; Q186-T188 VanDerWaalsContact C-N 3.28Å; Q186-T188 PolarHBondContact O-N 3.25Å |
| 189 | S | 29.9 | Very low | 31.2 | Very low | 83 Ų | 83 | 117 Ų | 117 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -103.3 | -4.6 | -177.7 | 74.8 | 0 | 0 | 0 | 0 | 115.2 | Q185 Q186 Y191 | Q185-S189 PolarHBondContact O-N 3.27Å; Q185-S189 VanDerWaalsContact O-N 3.17Å; Q185-S189 PolarHBondContact O-OG 2.91Å; Q186-S189 PolarHBondContact O-N 2.97Å; S189-Y191 PolarHBondContact O-N 3.08Å |
| 190 | S | 31.7 | Very low | 30.3 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | trans | -98.4 | 29.2 | -174 | 48.3 | 0 | 0 | 0 | 0 | 115.2 | Q186 L192 | Q186-S190 PolarHBondContact O-N 2.97Å; Q186-S190 PolarHBondContact O-OG 2.94Å; S190-L192 VanDerWaalsContact C-N 3.28Å | ||
| 191 | Y | 28.3 | Very low | 29.5 | Very low | 235 Ų | 235 | 130 Ų | 130 | 92% | 0.922 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -89.7 | 18.2 | 165 | -122.8 | -84.7 | 0 | 0 | 0 | 113.8 | S189 | S189-Y191 PolarHBondContact O-N 3.08Š|
| 192 | L | 23.8 | Very low | 29 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -135.4 | 111.5 | 175.1 | -86.9 | 153.8 | 0 | 0 | 0 | 110.5 | S190 | S190-L192 VanDerWaalsContact C-N 3.28Š|
| 193 | N | 23.6 | Very low | 28.8 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | 77.1 | 96.5 | 172.3 | -82.7 | -28.8 | 0 | 0 | 0 | 119.2 | T195 | N193-T195 PolarHBondContact O-N 3.43Š| ||
| 194 | P | 26.3 | Very low | 28.5 | Very low | 130 Ų | 130 | 135 Ų | 135 | 84% | 0.844 | 71% | 0.713 | S | S | * | * | trans | -80.6 | 99.5 | 161.6 | 33.3 | -26 | 0 | 0 | 0 | 108.6 | ||||
| 195 | T | 23.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | trans | -136.7 | 103.9 | 159.8 | -3.9 | 0 | 0 | 0 | 0 | 110.4 | N193 | N193-T195 PolarHBondContact O-N 3.43Š| ||
| 196 | K | 25.5 | Very low | 29.2 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 65.6 | 76.3 | 152.7 | -61.7 | 175.4 | 179.3 | -179.6 | 0 | 117.1 | ||
| 197 | Q | 25.5 | Very low | 29.4 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | -179 | 88 | 116.4 | -99 | 177.3 | 1.2 | 0 | 0 | 107.7 | L199 | Q197-L199 PolarHBondContact O-N 2.91Š| |||
| 198 | T | 25.7 | Very low | 30.2 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -65.1 | 94.7 | 170.5 | -19.2 | 0 | 0 | 0 | 0 | 107.9 | K200 | T198-K200 VanDerWaalsContact C-N 3.27Å; T198-K200 PolarHBondContact O-N 3.37Å; T198-K200 VanDerWaalsContact O-N 3.1Å | ||
| 199 | L | 27.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 70% | 0.703 | S | S | * | * | trans | -62.2 | 104.9 | 144.5 | -100.7 | 150.1 | 0 | 0 | 0 | 104.3 | Q197 Q201 | Q197-L199 PolarHBondContact O-N 2.91Å; L199-Q201 PolarHBondContact O-N 3.42Å | ||
| 200 | K | 25.2 | Very low | 31.8 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -53.6 | 95.7 | 164.3 | -78.7 | -176.8 | 170.4 | -170.2 | 0 | 106.9 | T198 D202 | T198-K200 VanDerWaalsContact C-N 3.27Å; T198-K200 PolarHBondContact O-N 3.37Å; T198-K200 VanDerWaalsContact O-N 3.1Å; K200-D202 PolarHBondContact O-N 2.97Å | ||
| 201 | Q | 29.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | -85.4 | 79.3 | 160.7 | -125.2 | 178.2 | -3.7 | 0 | 0 | 105.7 | L199 N203 N206 | L199-Q201 PolarHBondContact O-N 3.42Å; Q201-N203 PolarHBondContact O-N 2.94Å; Q201-N206 PolarHBondContact NE2-ND2 2.95Å; Q201-N206 VanDerWaalsContact NE2-ND2 3.14Å | ||
| 202 | D | 24.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | trans | -67.6 | 76.1 | 157.8 | -77.3 | -41.9 | 0 | 0 | 0 | 107.1 | K200 | K200-D202 PolarHBondContact O-N 2.97Š| ||
| 203 | N | 33.6 | Very low | 34.8 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 54% | 0.535 | 61% | 0.607 | S | S | . | * | trans | -161.5 | 115.6 | 154.1 | -135.6 | -5.1 | 0 | 0 | 0 | 113.2 | Q201 E205 | Q201-N203 PolarHBondContact O-N 2.94Å; N203-E205 VanDerWaalsContact C-N 3.29Å; N203-E205 PolarHBondContact O-N 3.15Å | ||
| 204 | P | 31.6 | Very low | 36.3 | Very low | 132 Ų | 132 | 114 Ų | 114 | 86% | 0.857 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 6.9 | 178.4 | 31.1 | -32.2 | 0 | 0 | 0 | 115 | ||
| 205 | E | 39.4 | Very low | 37.7 | Very low | 153 Ų | 153 | 112.8 Ų | 112.8 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 19.7 | -177.3 | -67.4 | -170.4 | 159.1 | 0 | 0 | 114.9 | N203 E207 | N203-E205 VanDerWaalsContact C-N 3.29Å; N203-E205 PolarHBondContact O-N 3.15Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 3.16Å |
| 206 | N | 41.1 | Very low | 39.3 | Very low | 54 Ų | 54 | 107.9 Ų | 107.9 | 29% | 0.289 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.2 | -9.2 | -170 | -120.9 | -7.8 | 0 | 0 | 0 | 115.5 | Q201 N208 Y209 | Q201-N206 PolarHBondContact NE2-ND2 2.95Å; Q201-N206 VanDerWaalsContact NE2-ND2 3.14Å; N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 3.1Å; N206-Y209 PolarHBondContact O-N 3.14Å |
| 207 | E | 38.2 | Very low | 40.6 | Very low | 178 Ų | 178 | 98.9 Ų | 98.9 | 83% | 0.832 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.3 | -36 | 176 | -78.2 | -171 | 157.9 | 0 | 0 | 111.9 | E205 Y209 | E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 3.16Å; E207-Y209 VanDerWaalsContact C-N 3.34Å; E207-Y209 PolarHBondContact O-N 3.01Å |
| 208 | N | 48.7 | Very low | 41.9 | Very low | 108 Ų | 108 | 95.9 Ų | 95.9 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -77.3 | -24 | -178.3 | -145.6 | -4.4 | 0 | 0 | 0 | 112 | N206 N212 | N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 3.1Å; N208-N212 VanDerWaalsContact O-CB 3.27Å; N208-N212 WeakPolarHBondContact O-CB 3.43Å; N208-N212 VanDerWaalsContact O-CG 3.24Å; N208-N212 PolarHBondContact O-N 2.8Å; N208-N212 PolarHBondContact O-ND2 3.17Å; N208-N212 PolarHBondContact OD1-ND2 3.1Å |
| 209 | Y | 43.9 | Very low | 43.5 | Very low | 53 Ų | 53 | 92.6 Ų | 92.6 | 21% | 0.208 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65 | -45.8 | -179.7 | -174 | -95.7 | 0 | 0 | 0 | 111.9 | L159 N206 E207 L213 | L159-Y209 HydrophobicContact CB-CD2 4.2Å; L159-Y209 HydrophobicContact CB-CE2 3.56Å; L159-Y209 HydrophobicContact CD1-CD2 3.6Å; L159-Y209 HydrophobicContact CD1-CE2 3.75Å; L159-Y209 HydrophobicContact CD1-CG 4.29Å; L159-Y209 HydrophobicContact CG-CD2 4.03Å; L159-Y209 HydrophobicContact CG-CE2 3.62Å; N206-Y209 PolarHBondContact O-N 3.14Å; E207-Y209 VanDerWaalsContact C-N 3.34Å; E207-Y209 PolarHBondContact O-N 3.01Å; Y209-L213 HydrophobicContact CD1-CD1 3.77Å; Y209-L213 HydrophobicContact CE1-CD1 3.23Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 3Å |
| 210 | F | 50 | Low | 44.7 | Very low | 37 Ų | 37 | 86.7 Ų | 86.7 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68 | -43.9 | 180 | -92.3 | -84 | 0 | 0 | 0 | 112.8 | V180 L183 N212 L213 K214 | V180-F210 HydrophobicContact CG1-CD1 3.98Å; V180-F210 HydrophobicContact CG1-CE1 4.32Å; L183-F210 HydrophobicContact CB-CE1 3.55Å; L183-F210 HydrophobicContact CB-CZ 3.46Å; L183-F210 VanDerWaalsContact CB-CZ 3.46Å; L183-F210 HydrophobicContact CD1-CZ 4.44Å; L183-F210 HydrophobicContact CD2-CE2 4.34Å; L183-F210 HydrophobicContact CD2-CZ 3.62Å; L183-F210 HydrophobicContact CG-CZ 3.99Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-L213 WeakPolarHBondContact O-CB 3.48Å; F210-L213 PolarHBondContact O-N 3.37Å; F210-K214 WeakPolarHBondContact O-CB 3.47Å; F210-K214 PolarHBondContact O-N 3.42Å |
| 211 | E | 47.9 | Very low | 45.9 | Very low | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 177 | -74.1 | -60.7 | 147.7 | 0 | 0 | 111.5 | L213 K214 L215 | E211-L213 PolarHBondContact O-N 2.94Å; E211-K214 PolarHBondContact O-N 2.87Å; E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 3Å |
| 212 | N | 47.4 | Very low | 46.9 | Very low | 39 Ų | 39 | 76 Ų | 76 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.5 | -78.5 | -50.2 | 0 | 0 | 0 | 112.3 | L159 N208 F210 K214 L215 I216 | L159-N212 HydrophobicContact CD1-CB 3.79Å; N208-N212 VanDerWaalsContact O-CB 3.27Å; N208-N212 WeakPolarHBondContact O-CB 3.43Å; N208-N212 VanDerWaalsContact O-CG 3.24Å; N208-N212 PolarHBondContact O-N 2.8Å; N208-N212 PolarHBondContact O-ND2 3.17Å; N208-N212 PolarHBondContact OD1-ND2 3.1Å; F210-N212 VanDerWaalsContact C-N 3.35Å; N212-K214 VanDerWaalsContact C-N 3.34Å; N212-K214 PolarHBondContact O-N 3.32Å; N212-L215 PolarHBondContact O-N 2.77Å; N212-I216 WeakPolarHBondContact O-CB 3.3Å; N212-I216 WeakPolarHBondContact O-CD1 2.79Å; N212-I216 VanDerWaalsContact O-CG1 3.23Å; N212-I216 WeakPolarHBondContact O-CG1 3.27Å; N212-I216 PolarHBondContact O-N 2.81Å |
| 213 | L | 52.2 | Low | 48.3 | Very low | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 175 | -109.5 | 157.7 | 0 | 0 | 0 | 113 | I162 L176 V180 Y209 F210 E211 I216 S217 | I162-L213 HydrophobicContact CD1-CD1 3.93Å; I162-L213 HydrophobicContact CD1-CD2 3.89Å; I162-L213 HydrophobicContact CD1-CG 4.28Å; I162-L213 HydrophobicContact CG2-CD2 4.07Å; L176-L213 HydrophobicContact CD2-CD2 3.23Å; V180-L213 HydrophobicContact CG2-CB 4.01Å; V180-L213 HydrophobicContact CG2-CD2 3.85Å; V180-L213 HydrophobicContact CG2-CG 4.37Å; Y209-L213 HydrophobicContact CD1-CD1 3.77Å; Y209-L213 HydrophobicContact CE1-CD1 3.23Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 3Å; F210-L213 WeakPolarHBondContact O-CB 3.48Å; F210-L213 PolarHBondContact O-N 3.37Å; E211-L213 PolarHBondContact O-N 2.94Å; L213-I216 PolarHBondContact O-N 3.03Å; L213-S217 WeakPolarHBondContact O-CB 3.32Å; L213-S217 PolarHBondContact O-N 3.27Å; L213-S217 PolarHBondContact O-OG 3.48Å |
| 214 | K | 54.6 | Low | 49 | Very low | 54 Ų | 54 | 69.3 Ų | 69.3 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 175.8 | -166.3 | 177.3 | -176.8 | -179.8 | 0 | 111.4 | F210 E211 N212 S217 Y218 | F210-K214 WeakPolarHBondContact O-CB 3.47Å; F210-K214 PolarHBondContact O-N 3.42Å; E211-K214 PolarHBondContact O-N 2.87Å; N212-K214 VanDerWaalsContact C-N 3.34Å; N212-K214 PolarHBondContact O-N 3.32Å; K214-S217 WeakPolarHBondContact CA-OG 3.47Å; K214-S217 PolarHBondContact O-N 3.44Å; K214-S217 PolarHBondContact O-OG 2.99Å; K214-Y218 HydrophobicContact CD-CE2 4.12Å; K214-Y218 WeakPolarHBondContact CE-OH 3.48Å; K214-Y218 HydrophobicContact CG-CD2 4.01Å; K214-Y218 HydrophobicContact CG-CE2 3.55Å; K214-Y218 WeakPolarHBondContact O-CD2 3.45Å; K214-Y218 PolarHBondContact O-N 2.88Å |
| 215 | L | 55.1 | Low | 49.7 | Very low | 106 Ų | 106 | 66.2 Ų | 66.2 | 56% | 0.555 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 175.6 | -165.1 | 74.9 | 0 | 0 | 0 | 111.7 | E211 N212 Y218 F219 | E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 3Å; N212-L215 PolarHBondContact O-N 2.77Å; L215-Y218 PolarHBondContact O-N 3.13Å; L215-F219 WeakPolarHBondContact O-CB 2.99Å; L215-F219 PolarHBondContact O-N 3.11Å |
| 216 | I | 57.4 | Low | 49.9 | Very low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 177.9 | -73.8 | 159.5 | 0 | 0 | 0 | 111.1 | L34 L159 L163 L166 N212 L213 F219 L220 | L34-I216 HydrophobicContact CD1-CG1 3.91Å; L34-I216 HydrophobicContact CD2-CD1 4.24Å; L34-I216 HydrophobicContact CD2-CG1 3.58Å; L34-I216 HydrophobicContact CG-CG1 4.31Å; L159-I216 HydrophobicContact CD2-CD1 3.29Å; L163-I216 HydrophobicContact CD1-CD1 4.31Å; L163-I216 HydrophobicContact CD2-CD1 3.66Å; L163-I216 HydrophobicContact CD2-CG1 4.05Å; L163-I216 HydrophobicContact CD2-CG2 3.99Å; L163-I216 HydrophobicContact CG-CD1 4.09Å; L166-I216 HydrophobicContact CD1-CG2 3.52Å; N212-I216 WeakPolarHBondContact O-CB 3.3Å; N212-I216 WeakPolarHBondContact O-CD1 2.79Å; N212-I216 VanDerWaalsContact O-CG1 3.23Å; N212-I216 WeakPolarHBondContact O-CG1 3.27Å; N212-I216 PolarHBondContact O-N 2.81Å; L213-I216 PolarHBondContact O-N 3.03Å; I216-F219 PolarHBondContact O-N 2.91Å; I216-L220 HydrophobicContact CG2-CD1 3.83Å; I216-L220 WeakPolarHBondContact O-CD1 3.09Å; I216-L220 WeakPolarHBondContact O-CG 3.45Å; I216-L220 PolarHBondContact O-N 3.15Å |
| 217 | S | 52.3 | Low | 49.9 | Very low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 179 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | L177 L213 K214 F219 L220 S221 | L177-S217 WeakPolarHBondContact CD1-OG 3.31Å; L213-S217 WeakPolarHBondContact O-CB 3.32Å; L213-S217 PolarHBondContact O-N 3.27Å; L213-S217 PolarHBondContact O-OG 3.48Å; K214-S217 WeakPolarHBondContact CA-OG 3.47Å; K214-S217 PolarHBondContact O-N 3.44Å; K214-S217 PolarHBondContact O-OG 2.99Å; S217-F219 VanDerWaalsContact C-N 3.31Å; S217-F219 PolarHBondContact O-N 3.09Å; S217-L220 PolarHBondContact O-N 2.92Å; S217-S221 PolarHBondContact O-N 2.69Å; S217-S221 PolarHBondContact O-OG 2.99Å |
| 218 | Y | 53.8 | Low | 50 | Low | 130 Ų | 130 | 59.8 Ų | 59.8 | 51% | 0.51 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 172.3 | -76.2 | -46.5 | 0 | 0 | 0 | 112.7 | L177 K214 L215 L220 S221 Y222 | L177-Y218 HydrophobicContact CD1-CD1 4.43Å; L177-Y218 HydrophobicContact CD1-CE1 4.33Å; K214-Y218 HydrophobicContact CD-CE2 4.12Å; K214-Y218 WeakPolarHBondContact CE-OH 3.48Å; K214-Y218 HydrophobicContact CG-CD2 4.01Å; K214-Y218 HydrophobicContact CG-CE2 3.55Å; K214-Y218 WeakPolarHBondContact O-CD2 3.45Å; K214-Y218 PolarHBondContact O-N 2.88Å; L215-Y218 PolarHBondContact O-N 3.13Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.37Å; Y218-S221 PolarHBondContact O-N 3.34Å; Y218-Y222 VanDerWaalsContact O-CB 3.31Å; Y218-Y222 WeakPolarHBondContact O-CB 3.49Å; Y218-Y222 PolarHBondContact O-N 2.98Å |
| 219 | F | 58.6 | Low | 49.5 | Very low | 64 Ų | 64 | 60.8 Ų | 60.8 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 178.4 | -164.5 | -97.1 | 0 | 0 | 0 | 111.8 | C38 L215 I216 S217 Y222 L223 | C38-F219 HydrophobicContact CB-CE1 4.16Å; C38-F219 HydrophobicContact CB-CZ 4.11Å; C38-F219 WeakPolarHBondContact SG-CE1 3.49Å; C38-F219 VanDerWaalsContact SG-CZ 3.58Å; L215-F219 WeakPolarHBondContact O-CB 2.99Å; L215-F219 PolarHBondContact O-N 3.11Å; I216-F219 PolarHBondContact O-N 2.91Å; S217-F219 VanDerWaalsContact C-N 3.31Å; S217-F219 PolarHBondContact O-N 3.09Å; F219-Y222 WeakPolarHBondContact O-CB 3.49Å; F219-Y222 PolarHBondContact O-N 3.21Å; F219-L223 HydrophobicContact CD1-CD1 3.67Å; F219-L223 HydrophobicContact CD1-CG 4.22Å; F219-L223 HydrophobicContact CE1-CD1 3.58Å; F219-L223 HydrophobicContact CE1-CD2 4.4Å; F219-L223 HydrophobicContact CE1-CG 4.04Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3.31Å |
| 220 | L | 54.4 | Low | 49.2 | Very low | 38 Ų | 38 | 63.8 Ų | 63.8 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 177.5 | -72.8 | 162 | 0 | 0 | 0 | 113.3 | L166 P173 I216 S217 Y218 Y222 L223 S224 | L166-L220 HydrophobicContact CB-CD1 4.11Å; L166-L220 HydrophobicContact CD1-CD1 3.3Å; L166-L220 HydrophobicContact CD2-CD1 3.22Å; L166-L220 HydrophobicContact CD2-CG 4.46Å; L166-L220 HydrophobicContact CG-CD1 3.67Å; P173-L220 HydrophobicContact CB-CB 3.74Å; P173-L220 HydrophobicContact CG-CB 3.73Å; P173-L220 HydrophobicContact CG-CD1 4.49Å; I216-L220 HydrophobicContact CG2-CD1 3.83Å; I216-L220 WeakPolarHBondContact O-CD1 3.09Å; I216-L220 WeakPolarHBondContact O-CG 3.45Å; I216-L220 PolarHBondContact O-N 3.15Å; S217-L220 PolarHBondContact O-N 2.92Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.37Å; L220-Y222 PolarHBondContact O-N 3.33Å; L220-L223 HydrophobicContact CD2-CD1 4.29Å; L220-L223 PolarHBondContact O-N 3.1Å; L220-S224 PolarHBondContact O-N 3.5Å |
| 221 | S | 49.8 | Very low | 48.6 | Very low | 35 Ų | 35 | 64.1 Ų | 64.1 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 170.8 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | S217 Y218 S224 L225 | S217-S221 PolarHBondContact O-N 2.69Å; S217-S221 PolarHBondContact O-OG 2.99Å; Y218-S221 PolarHBondContact O-N 3.34Å; S221-S224 PolarHBondContact O-N 3.04Å; S221-L225 WeakPolarHBondContact O-CB 3.43Å; S221-L225 PolarHBondContact O-N 3.39Å |
| 222 | Y | 51.2 | Low | 48.4 | Very low | 63 Ų | 63 | 65.5 Ų | 65.5 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.3 | 177 | -102.8 | 0 | 0 | 0 | 112.8 | L104 Y106 Y218 F219 L220 S224 L225 L226 | L104-Y222 HydrophobicContact CD1-CE2 3.88Å; L104-Y222 WeakPolarHBondContact CD1-OH 3.45Å; Y106-Y222 HydrophobicContact CE2-CD2 4.22Å; Y106-Y222 AromaticContact CE2-CE2 3.94Å; Y106-Y222 HydrophobicContact CE2-CE2 3.94Å; Y106-Y222 WeakPolarHBondContact OH-CD2 3.43Å; Y218-Y222 VanDerWaalsContact O-CB 3.31Å; Y218-Y222 WeakPolarHBondContact O-CB 3.49Å; Y218-Y222 PolarHBondContact O-N 2.98Å; F219-Y222 WeakPolarHBondContact O-CB 3.49Å; F219-Y222 PolarHBondContact O-N 3.21Å; L220-Y222 PolarHBondContact O-N 3.33Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.11Å; Y222-L225 WeakPolarHBondContact O-CB 3.48Å; Y222-L225 PolarHBondContact O-N 2.86Å; Y222-L226 HydrophobicContact CD1-CD1 3.63Å; Y222-L226 HydrophobicContact CE1-CD1 3.18Å; Y222-L226 HydrophobicContact CE1-CG 4.27Å; Y222-L226 HydrophobicContact CE2-CD1 4.38Å; Y222-L226 HydrophobicContact CG-CD1 4.39Å; Y222-L226 PolarHBondContact O-N 3.17Å |
| 223 | L | 53 | Low | 48 | Very low | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 174.2 | -73.7 | 167.6 | 0 | 0 | 0 | 112.8 | L41 F219 L220 L225 L226 K227 | L41-L223 HydrophobicContact CD1-CD1 3.57Å; L41-L223 HydrophobicContact CD1-CD2 4.46Å; F219-L223 HydrophobicContact CD1-CD1 3.67Å; F219-L223 HydrophobicContact CD1-CG 4.22Å; F219-L223 HydrophobicContact CE1-CD1 3.58Å; F219-L223 HydrophobicContact CE1-CD2 4.4Å; F219-L223 HydrophobicContact CE1-CG 4.04Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3.31Å; L220-L223 HydrophobicContact CD2-CD1 4.29Å; L220-L223 PolarHBondContact O-N 3.1Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L226 HydrophobicContact CD2-CD1 4.45Å; L223-L226 WeakPolarHBondContact O-CB 3.35Å; L223-L226 PolarHBondContact O-N 2.91Å; L223-K227 PolarHBondContact O-N 2.92Å |
| 224 | S | 47.5 | Very low | 47.8 | Very low | 57 Ų | 57 | 73.9 Ų | 73.9 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175 | -139.2 | 0 | 0 | 0 | 0 | 110.9 | L220 S221 Y222 K227 C228 | L220-S224 PolarHBondContact O-N 3.5Å; S221-S224 PolarHBondContact O-N 3.04Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.11Å; S224-K227 WeakPolarHBondContact O-CB 3.23Å; S224-K227 PolarHBondContact O-N 3.29Å; S224-C228 PolarHBondContact O-N 3.19Å |
| 225 | L | 46.4 | Very low | 47.6 | Very low | 67 Ų | 67 | 76.7 Ų | 76.7 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 174.4 | -162.6 | 77.3 | 0 | 0 | 0 | 112.3 | S221 Y222 L223 C228 L229 | S221-L225 WeakPolarHBondContact O-CB 3.43Å; S221-L225 PolarHBondContact O-N 3.39Å; Y222-L225 WeakPolarHBondContact O-CB 3.48Å; Y222-L225 PolarHBondContact O-N 2.86Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L225-C228 VanDerWaalsContact O-CB 3.23Å; L225-C228 WeakPolarHBondContact O-CB 3.44Å; L225-C228 PolarHBondContact O-N 2.67Å; L225-C228 VanDerWaalsContact O-N 3.17Å; L225-L229 PolarHBondContact O-N 3.17Å; L225-L229 VanDerWaalsContact O-N 3.1Å |
| 226 | L | 44.3 | Very low | 46.8 | Very low | 50 Ų | 50 | 77.6 Ų | 77.6 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 173.7 | -89.7 | 157.1 | 0 | 0 | 0 | 112.5 | Y222 L223 C228 L229 H230 | Y222-L226 HydrophobicContact CD1-CD1 3.63Å; Y222-L226 HydrophobicContact CE1-CD1 3.18Å; Y222-L226 HydrophobicContact CE1-CG 4.27Å; Y222-L226 HydrophobicContact CE2-CD1 4.38Å; Y222-L226 HydrophobicContact CG-CD1 4.39Å; Y222-L226 PolarHBondContact O-N 3.17Å; L223-L226 HydrophobicContact CD2-CD1 4.45Å; L223-L226 WeakPolarHBondContact O-CB 3.35Å; L223-L226 PolarHBondContact O-N 2.91Å; L226-C228 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 3.2Å; L226-H230 PolarHBondContact O-N 2.91Å |
| 227 | K | 42.1 | Very low | 46 | Very low | 166 Ų | 166 | 79 Ų | 79 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.5 | -36.8 | 172.7 | -112.6 | -179.1 | 177.3 | 179.3 | 0 | 111.6 | L223 S224 H230 S231 | L223-K227 PolarHBondContact O-N 2.92Å; S224-K227 WeakPolarHBondContact O-CB 3.23Å; S224-K227 PolarHBondContact O-N 3.29Å; K227-H230 PolarHBondContact O-N 2.75Å; K227-S231 PolarHBondContact O-N 3.33Å |
| 228 | C | 39.9 | Very low | 45.7 | Very low | 34 Ų | 34 | 83.3 Ų | 83.3 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 175.7 | -94.8 | 0 | 0 | 0 | 0 | 114.3 | S224 L225 L226 H230 S231 C237 | S224-C228 PolarHBondContact O-N 3.19Å; L225-C228 VanDerWaalsContact O-CB 3.23Å; L225-C228 WeakPolarHBondContact O-CB 3.44Å; L225-C228 PolarHBondContact O-N 2.67Å; L225-C228 VanDerWaalsContact O-N 3.17Å; L226-C228 PolarHBondContact O-N 3.43Å; C228-H230 PolarHBondContact O-N 3.18Å; C228-S231 PolarHBondContact O-N 3.12Å; C228-C237 WeakPolarHBondContact CA-SG 2.84Å; C228-C237 HydrophobicContact CB-CB 3.97Å; C228-C237 WeakPolarHBondContact CB-SG 3.22Å; C228-C237 WeakPolarHBondContact SG-CA 3.37Å; C228-C237 WeakPolarHBondContact SG-CB 3.34Å; C228-C237 CovalentContact SG-SG 2.01Å; C228-C237 PolarHBondContact SG-SG 3.1Å |
| 229 | L | 38.2 | Very low | 44.9 | Very low | 129 Ų | 129 | 83.4 Ų | 83.4 | 68% | 0.675 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.3 | -22.1 | 176.5 | -76.1 | 159.6 | 0 | 0 | 0 | 113.2 | L225 L226 | L225-L229 PolarHBondContact O-N 3.17Å; L225-L229 VanDerWaalsContact O-N 3.1Å; L226-L229 PolarHBondContact O-N 3.2Å |
| 230 | H | 36.5 | Very low | 44.2 | Very low | 117 Ų | 117 | 83.9 Ų | 83.9 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -4.7 | -179.6 | -103.5 | 77.4 | 0 | 0 | 0 | 115 | N49 L226 K227 C228 | N49-H230 PolarHBondContact ND2-NE2 3.27Å; N49-H230 PolarHBondContact OD1-CE1 3.4Å; N49-H230 PolarHBondContact OD1-NE2 2.01Å; L226-H230 PolarHBondContact O-N 2.91Å; K227-H230 PolarHBondContact O-N 2.75Å; C228-H230 PolarHBondContact O-N 3.18Å |
| 231 | S | 38.5 | Very low | 43.3 | Very low | 43 Ų | 43 | 89.2 Ų | 89.2 | 30% | 0.301 | 50% | 0.497 | S | S | . | . | trans | -87.5 | 125.3 | 174.2 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | K227 C228 N233 | K227-S231 PolarHBondContact O-N 3.33Å; C228-S231 PolarHBondContact O-N 3.12Å; S231-N233 PolarHBondContact O-N 3.46Å; S231-N233 PolarHBondContact OG-N 3.07Å; S231-N233 VanDerWaalsContact OG-N 3.08Å; S231-N233 PolarHBondContact OG-O 3.33Å | ||
| 232 | S | 43.2 | Very low | 42.4 | Very low | 129 Ų | 129 | 93.5 Ų | 93.5 | 90% | 0.902 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -71.5 | -5.6 | 168.2 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 233 | N | 39.6 | Very low | 41.3 | Very low | 101 Ų | 101 | 93.5 Ų | 93.5 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | trans | -110.3 | 111.3 | 175.4 | -109.4 | -5.7 | 0 | 0 | 0 | 109.7 | S231 T235 | S231-N233 PolarHBondContact O-N 3.46Å; S231-N233 PolarHBondContact OG-N 3.07Å; S231-N233 VanDerWaalsContact OG-N 3.08Å; S231-N233 PolarHBondContact OG-O 3.33Å; N233-T235 PolarHBondContact O-N 3.4Å | ||
| 234 | T | 47.8 | Very low | 40 | Very low | 122 Ų | 122 | 97.2 Ų | 97.2 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -72 | -10.1 | -178.6 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 235 | T | 51.1 | Low | 39.1 | Very low | 114 Ų | 114 | 102.3 Ų | 102.3 | 70% | 0.699 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -75 | -20.4 | -177.5 | 31.7 | 0 | 0 | 0 | 0 | 115 | N233 C237 | N233-T235 PolarHBondContact O-N 3.4Å; T235-C237 PolarHBondContact O-N 3.37Å |
| 236 | D | 38.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 105 Ų | 105 | 66% | 0.663 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -89.2 | 6.8 | 179.2 | -62.9 | -37 | 0 | 0 | 0 | 112.7 | P238 | D236-P238 WeakPolarHBondContact O-CD 2.89Š|
| 237 | C | 38.9 | Very low | 37.4 | Very low | 36 Ų | 36 | 105.8 Ų | 105.8 | 24% | 0.243 | 63% | 0.632 | C | S | . | * | trans | -111.6 | 94.9 | -177.9 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | C228 T235 N239 | C228-C237 WeakPolarHBondContact CA-SG 2.84Å; C228-C237 HydrophobicContact CB-CB 3.97Å; C228-C237 WeakPolarHBondContact CB-SG 3.22Å; C228-C237 WeakPolarHBondContact SG-CA 3.37Å; C228-C237 WeakPolarHBondContact SG-CB 3.34Å; C228-C237 CovalentContact SG-SG 2.01Å; C228-C237 PolarHBondContact SG-SG 3.1Å; T235-C237 PolarHBondContact O-N 3.37Å; C237-N239 PolarHBondContact O-N 3.29Å | ||
| 238 | P | 46.1 | Very low | 36.7 | Very low | 91 Ų | 91 | 104.9 Ų | 104.9 | 59% | 0.591 | 64% | 0.64 | S | S | * | * | trans | -58.3 | 137.6 | 166.6 | 24.7 | -29.9 | 0 | 0 | 0 | 108 | D236 I240 | D236-P238 WeakPolarHBondContact O-CD 2.89Å; P238-I240 HydrophobicContact CB-CG1 4.47Å; P238-I240 HydrophobicContact CG-CD1 4.24Å; P238-I240 HydrophobicContact CG-CG1 4.19Å; P238-I240 WeakPolarHBondContact O-CG1 3.28Å; P238-I240 PolarHBondContact O-N 3.42Å | ||
| 239 | N | 38.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 108.8 Ų | 108.8 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | trans | -70.5 | 74.9 | -178.3 | -124.8 | -19 | 0 | 0 | 0 | 109.1 | C237 L241 N242 | C237-N239 PolarHBondContact O-N 3.29Å; N239-L241 PolarHBondContact O-N 3.3Å; N239-L241 VanDerWaalsContact O-N 3.11Å; N239-N242 PolarHBondContact O-N 3.08Å; N239-N242 VanDerWaalsContact O-N 3.07Å | ||
| 240 | I | 42.2 | Very low | 35.8 | Very low | 75 Ų | 75 | 106.1 Ų | 106.1 | 39% | 0.385 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | -11.7 | -176.2 | -63.1 | 165.6 | 0 | 0 | 0 | 111.2 | E174 P238 N242 | E174-I240 WeakPolarHBondContact OE1-CG1 3.28Å; P238-I240 HydrophobicContact CB-CG1 4.47Å; P238-I240 HydrophobicContact CG-CD1 4.24Å; P238-I240 HydrophobicContact CG-CG1 4.19Å; P238-I240 WeakPolarHBondContact O-CG1 3.28Å; P238-I240 PolarHBondContact O-N 3.42Å; I240-N242 VanDerWaalsContact C-N 3.26Å; I240-N242 PolarHBondContact O-N 2.84Å |
| 241 | L | 35.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 109 Ų | 109 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -15.1 | 171.3 | -112.3 | 94.9 | 0 | 0 | 0 | 114.5 | N239 | N239-L241 PolarHBondContact O-N 3.3Å; N239-L241 VanDerWaalsContact O-N 3.11Å |
| 242 | N | 31 | Very low | 35 | Very low | 125 Ų | 125 | 115.2 Ų | 115.2 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | trans | -110.3 | 66.4 | 177.4 | -77 | -7.1 | 0 | 0 | 0 | 110.7 | N239 I240 S244 | N239-N242 PolarHBondContact O-N 3.08Å; N239-N242 VanDerWaalsContact O-N 3.07Å; I240-N242 VanDerWaalsContact C-N 3.26Å; I240-N242 PolarHBondContact O-N 2.84Å; N242-S244 PolarHBondContact O-N 3.46Å | ||
| 243 | G | 28 | Very low | 34.5 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -58.4 | 92.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 244 | S | 26 | Very low | 34.1 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 41.1 | 84.7 | 158.7 | -54.8 | 0 | 0 | 0 | 0 | 116.9 | N242 | N242-S244 PolarHBondContact O-N 3.46Š| ||
| 245 | I | 27.8 | Very low | 33.7 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -128.1 | 111.7 | 148.9 | -53.4 | 178.9 | 0 | 0 | 0 | 108.3 | ||||
| 246 | S | 29.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -56 | 147.3 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 247 | G | 25.7 | Very low | 32.5 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 173.7 | 103.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114 | S249 | G247-S249 PolarHBondContact O-N 3.43Š| ||
| 248 | T | 27.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -49 | 122.9 | 166.1 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 249 | S | 31.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -140.6 | 103.3 | 147.7 | 63.3 | 0 | 0 | 0 | 0 | 104.9 | G247 | G247-S249 PolarHBondContact O-N 3.43Š| ||
| 250 | G | 27.9 | Very low | 30.9 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | 111.3 | 119 | 71.7 | 0 | 0 | 0 | 0 | 0 | 104.4 | |||||
| 251 | E | 29 | Very low | 30.1 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -47.8 | 137.5 | -175.8 | -64.1 | 154.3 | 133.7 | 0 | 0 | 112.2 | ||||
| 252 | D | 29.7 | Very low | 29.7 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | trans | -147.6 | 72.7 | 139.2 | -88.8 | -33.1 | 0 | 0 | 0 | 106.7 | ||||
| 253 | S | 33.5 | Very low | 29.6 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 85% | 0.845 | S | S | * | * | trans | -80.5 | 124.4 | 161 | -60.5 | 0 | 0 | 0 | 0 | 107.6 | I255 | S253-I255 PolarHBondContact O-N 3.33Š| ||
| 254 | N | 29.7 | Very low | 29.8 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | trans | -36.7 | 122.1 | 171.5 | -71.7 | -46.2 | 0 | 0 | 0 | 113.8 | ||||
| 255 | I | 39.2 | Very low | 30.1 | Very low | 240 Ų | 240 | 141.7 Ų | 141.7 | 100% | 1.231 | 86% | 0.864 | S | S | * | * | trans | -126 | 0 | 145.6 | -66.8 | 178.3 | 0 | 0 | 0 | 106.8 | S253 | S253-I255 PolarHBondContact O-N 3.33Š|
Retrieved 255 of 255 residues in 222.5 ms
(Link to these results)