| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 32.9 | Very low | 238 Ų | 238 | 168.5 Ų | 168.5 | 100% | 1.172 | 89% | 0.894 | S | S | * | * | 0 | 78.3 | 0 | -69.5 | 159.2 | 147.8 | 0 | 0 | 106.8 | |||||
| 2 | K | 32.6 | Very low | 32.6 | Very low | 207 Ų | 207 | 170.3 Ų | 170.3 | 90% | 0.9 | 89% | 0.894 | S | S | * | * | 27.4 | 94.4 | 85.2 | -74.5 | -168.6 | -179.3 | -179.7 | 0 | 114.2 | |||||
| 3 | T | 33.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 164.6 Ų | 164.6 | 87% | 0.865 | 89% | 0.886 | S | S | * | * | trans | -136.3 | 107.7 | 146.5 | 45 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | S | 32.7 | Very low | 32 | Very low | 124 Ų | 124 | 169.9 Ų | 169.9 | 87% | 0.867 | 89% | 0.887 | S | S | * | * | trans | -66.4 | 138.6 | 170.9 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | G | 32.3 | Very low | 32.1 | Very low | 78 Ų | 78 | 167.6 Ų | 167.6 | 80% | 0.804 | 89% | 0.886 | S | S | * | * | trans | -135.3 | 107.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 6 | Q | 32.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 90% | 0.902 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 134.6 | -178.9 | -85.1 | 158.3 | -32 | 0 | 0 | 112.2 | ||
| 7 | L | 32.6 | Very low | 31.8 | Very low | 164 Ų | 164 | 160.1 Ų | 160.1 | 86% | 0.859 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.1 | 159.6 | -76.3 | 149.5 | 0 | 0 | 0 | 109.2 | ||
| 8 | P | 34.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 81% | 0.812 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.2 | 171.3 | 30.5 | -29.7 | 0 | 0 | 0 | 110.5 | ||
| 9 | H | 30.1 | Very low | 31 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 86% | 0.861 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.6 | 177.7 | -91.6 | -96.8 | 0 | 0 | 0 | 113.6 | K11 | H9-K11 PolarHBondContact O-N 3.45Š|
| 10 | E | 29.4 | Very low | 30.5 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 86% | 0.862 | S | S | * | * | trans | -61.9 | 113.4 | 166.3 | -154.4 | 176.1 | 151.4 | 0 | 0 | 109.6 | Q12 | E10-Q12 PolarHBondContact O-N 3.23Š| ||
| 11 | K | 31.4 | Very low | 30.1 | Very low | 207 Ų | 207 | 150.6 Ų | 150.6 | 90% | 0.9 | 86% | 0.859 | S | S | * | * | trans | -78.7 | 104.7 | 171.8 | -91.2 | -174.4 | 177.5 | -179.3 | 0 | 109 | H9 A13 | H9-K11 PolarHBondContact O-N 3.45Å; K11-A13 PolarHBondContact O-N 3.27Å | ||
| 12 | Q | 29.2 | Very low | 29.3 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -63.8 | 111.2 | 170.4 | -157 | 161.9 | 23.4 | 0 | 0 | 110.1 | E10 | E10-Q12 PolarHBondContact O-N 3.23Š| ||
| 13 | A | 28.3 | Very low | 29.2 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 127.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K11 | K11-A13 PolarHBondContact O-N 3.27Š|
| 14 | R | 29.4 | Very low | 29.1 | Very low | 238 Ų | 238 | 138.6 Ų | 138.6 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 150.5 | 170.4 | -70.6 | -176.6 | 178.7 | -169 | -0.5 | 110.4 | ||
| 15 | P | 33.4 | Very low | 29.4 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 131.6 | 179.5 | 33.1 | -30.7 | 0 | 0 | 0 | 110.2 | ||
| 16 | G | 25.9 | Very low | 29.9 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -172.6 | 95.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 17 | S | 32.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | 17.4 | 112.9 | 152.3 | -179.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 18 | G | 24.1 | Very low | 31.7 | Very low | 62 Ų | 62 | 140.2 Ų | 140.2 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | 155.5 | 96.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V20 | G18-V20 VanDerWaalsContact C-N 3.25Å; G18-V20 PolarHBondContact O-N 3.3Å | ||
| 19 | A | 23.9 | Very low | 33.2 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 86.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L21 | A19-L21 PolarHBondContact O-N 3.24Š| ||
| 20 | V | 22.1 | Very low | 35.7 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | -78.8 | 94 | 162.3 | -179 | 0 | 0 | 0 | 0 | 105.8 | G18 A22 | G18-V20 VanDerWaalsContact C-N 3.25Å; G18-V20 PolarHBondContact O-N 3.3Å; V20-A22 HydrophobicContact CG1-CB 4.12Å; V20-A22 PolarHBondContact O-N 2.82Å | ||
| 21 | L | 22.7 | Very low | 38.6 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 74.8 | 160.9 | -79.2 | 165.4 | 0 | 0 | 0 | 107.3 | A19 F23 | A19-L21 PolarHBondContact O-N 3.24Å; L21-F23 PolarHBondContact O-N 3.06Å | ||
| 22 | A | 22.1 | Very low | 41.4 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | trans | -66.2 | 108.9 | 158 | 0 | 0 | 0 | 0 | 0 | 105.7 | V20 P24 | V20-A22 HydrophobicContact CG1-CB 4.12Å; V20-A22 PolarHBondContact O-N 2.82Å; A22-P24 VanDerWaalsContact O-CD 3.27Å; A22-P24 WeakPolarHBondContact O-CD 3.27Å | ||
| 23 | F | 30.6 | Very low | 44.3 | Very low | 153 Ų | 153 | 117.1 Ų | 117.1 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | -62.5 | 114.4 | 156.3 | -67.5 | -82.2 | 0 | 0 | 0 | 104.9 | L21 D25 | L21-F23 PolarHBondContact O-N 3.06Å; F23-D25 PolarHBondContact O-N 3.24Å; F23-D25 VanDerWaalsContact O-N 3.1Å | ||
| 24 | P | 32.9 | Very low | 47.1 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | -60.8 | 123 | 179.1 | 25.5 | -30.5 | 0 | 0 | 0 | 107.5 | A22 | A22-P24 VanDerWaalsContact O-CD 3.27Å; A22-P24 WeakPolarHBondContact O-CD 3.27Å | ||
| 25 | D | 38.7 | Very low | 49.8 | Very low | 160 Ų | 160 | 113 Ų | 113 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -56.9 | 135.9 | 161.7 | -135.8 | -10.9 | 0 | 0 | 0 | 107.6 | F23 | F23-D25 PolarHBondContact O-N 3.24Å; F23-D25 VanDerWaalsContact O-N 3.1Å |
| 26 | E | 42.3 | Very low | 52.4 | Low | 159 Ų | 159 | 111 Ų | 111 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 77.1 | 129.3 | -178.7 | -51.9 | -143.4 | 129.7 | 0 | 0 | 118.7 | ||
| 27 | T | 47.4 | Very low | 55.5 | Low | 120 Ų | 120 | 109.7 Ų | 109.7 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | trans | 73.7 | 114 | -178.1 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 28 | D | 56.3 | Low | 58.3 | Low | 153 Ų | 153 | 103.8 Ų | 103.8 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | -151.8 | 115.8 | 72.1 | -80 | -37.4 | 0 | 0 | 0 | 112.6 | G30 | D28-G30 PolarHBondContact O-N 2.89Š| |||
| 29 | L | 65.6 | Low | 61.5 | Low | 140 Ų | 140 | 102.7 Ų | 102.7 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | trans | -77.2 | 100.1 | 155.3 | 177.8 | 68.5 | 0 | 0 | 0 | 106.6 | V31 | L29-V31 HydrophobicContact CD2-CG2 4.47Å; L29-V31 HydrophobicContact CG-CG2 4.32Å; L29-V31 PolarHBondContact O-N 3.22Å | ||
| 30 | G | 81.2 | Confident | 64.7 | Low | 35 Ų | 35 | 100.7 Ų | 100.7 | 36% | 0.361 | 59% | 0.594 | S | S | . | * | trans | -66.1 | 120.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D28 | D28-G30 PolarHBondContact O-N 2.89Š| ||
| 31 | V | 89.9 | Confident | 68 | Low | 124 Ų | 124 | 95.4 Ų | 95.4 | 75% | 0.752 | 56% | 0.562 | S | S | * | * | trans | -111.9 | 113.8 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | L29 | L29-V31 HydrophobicContact CD2-CG2 4.47Å; L29-V31 HydrophobicContact CG-CG2 4.32Å; L29-V31 PolarHBondContact O-N 3.22Å | ||
| 32 | Y | 91.9 | Very high | 71.4 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 29% | 0.294 | 53% | 0.525 | S | S | . | . | trans | -100 | 123.4 | -177.4 | -59.4 | -68.9 | 0 | 0 | 0 | 110.9 | E36 V40 V41 D44 | Y32-E36 HydrophobicContact CD1-CB 4.29Å; Y32-E36 HydrophobicContact CD1-CG 4.1Å; Y32-V40 HydrophobicContact CD1-CG1 4.23Å; Y32-V40 HydrophobicContact CE1-CG1 3.79Å; Y32-V41 HydrophobicContact CD1-CG2 4.06Å; Y32-V41 HydrophobicContact CD2-CG2 4.08Å; Y32-V41 HydrophobicContact CE1-CG2 4.33Å; Y32-V41 HydrophobicContact CE2-CG1 4.44Å; Y32-V41 HydrophobicContact CE2-CG2 4.34Å; Y32-V41 HydrophobicContact CG-CG2 3.92Å; Y32-D44 PolarHBondContact OH-OD1 3.01Å; Y32-D44 PolarHBondContact OH-OD2 3.14Å | ||
| 33 | G | 89.9 | Confident | 74.8 | Confident | 40 Ų | 40 | 86.2 Ų | 86.2 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | trans | -74.1 | 168.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A35 E36 | G33-A35 PolarHBondContact O-N 3.26Å; G33-A35 VanDerWaalsContact O-N 3.12Å; G33-E36 WeakPolarHBondContact O-CB 3.41Å; G33-E36 PolarHBondContact O-N 2.74Å; G33-E36 VanDerWaalsContact O-N 3.08Å | ||
| 34 | P | 85.6 | Confident | 77.7 | Confident | 147 Ų | 147 | 82.4 Ų | 82.4 | 96% | 0.955 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -13.1 | -178.8 | 28.4 | -36.2 | 0 | 0 | 0 | 114.5 | ||
| 35 | A | 86.4 | Confident | 80.6 | Confident | 102 Ų | 102 | 77.2 Ų | 77.2 | 84% | 0.843 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -4.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G33 | G33-A35 PolarHBondContact O-N 3.26Å; G33-A35 VanDerWaalsContact O-N 3.12Å |
| 36 | E | 89.4 | Confident | 83.2 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | trans | -70.2 | 137.3 | 179.6 | -73.3 | -70.3 | 173.7 | 0 | 0 | 110.9 | Y32 G33 V40 | Y32-E36 HydrophobicContact CD1-CB 4.29Å; Y32-E36 HydrophobicContact CD1-CG 4.1Å; G33-E36 WeakPolarHBondContact O-CB 3.41Å; G33-E36 PolarHBondContact O-N 2.74Å; G33-E36 VanDerWaalsContact O-N 3.08Å; E36-V40 WeakPolarHBondContact OE2-CG1 3.49Å | ||
| 37 | S | 90.6 | Very high | 85.7 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | trans | -84.5 | 158.3 | -180 | 74 | 0 | 0 | 0 | 0 | 111.6 | S39 V40 V41 | S37-S39 PolarHBondContact O-N 3.35Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact OG-OG 2.8Å; S37-V40 PolarHBondContact O-N 2.61Å; S37-V41 PolarHBondContact O-N 3Å | ||
| 38 | Q | 91 | Very high | 87.9 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 5% | 0.051 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.4 | -26.7 | 174.9 | -62.6 | -84.4 | 51.3 | 0 | 0 | 112.9 | V40 F42 Y72 D92 L93 | Q38-V40 VanDerWaalsContact C-N 3.32Å; Q38-F42 VanDerWaalsContact O-CB 3.28Å; Q38-F42 WeakPolarHBondContact O-CB 3.36Å; Q38-F42 PolarHBondContact O-N 2.83Å; Q38-Y72 HydrophobicContact CG-CE1 4.21Å; Q38-Y72 VanDerWaalsContact NE2-CE1 3.33Å; Q38-Y72 PolarHBondContact NE2-O 3.04Å; Q38-D92 WeakPolarHBondContact CG-O 3.4Å; Q38-D92 PolarHBondContact NE2-O 3.27Å; Q38-L93 VanDerWaalsContact CB-O 3.26Å; Q38-L93 WeakPolarHBondContact CB-O 3.36Å |
| 39 | S | 91.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 177.6 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | S37 G43 | S37-S39 PolarHBondContact O-N 3.35Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact OG-OG 2.8Å; S39-G43 PolarHBondContact O-N 3.26Å |
| 40 | V | 91.3 | Very high | 91 | Very high | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.4 | -48.5 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | Y32 E36 S37 Q38 F42 G43 | Y32-V40 HydrophobicContact CD1-CG1 4.23Å; Y32-V40 HydrophobicContact CE1-CG1 3.79Å; E36-V40 WeakPolarHBondContact OE2-CG1 3.49Å; S37-V40 PolarHBondContact O-N 2.61Å; Q38-V40 VanDerWaalsContact C-N 3.32Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.09Å; V40-G43 WeakPolarHBondContact O-CA 3.28Å; V40-G43 PolarHBondContact O-N 3.1Å |
| 41 | V | 91.8 | Very high | 91.5 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.1 | -39.3 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | Y32 S37 G43 D44 T73 I95 I336 | Y32-V41 HydrophobicContact CD1-CG2 4.06Å; Y32-V41 HydrophobicContact CD2-CG2 4.08Å; Y32-V41 HydrophobicContact CE1-CG2 4.33Å; Y32-V41 HydrophobicContact CE2-CG1 4.44Å; Y32-V41 HydrophobicContact CE2-CG2 4.34Å; Y32-V41 HydrophobicContact CG-CG2 3.92Å; S37-V41 PolarHBondContact O-N 3Å; V41-G43 PolarHBondContact O-N 2.97Å; V41-D44 PolarHBondContact O-N 3Å; V41-T73 HydrophobicContact CG1-CG2 4.3Å; V41-I95 HydrophobicContact CG1-CD1 4.4Å; V41-I336 HydrophobicContact CG1-CD1 4.39Å |
| 42 | F | 94.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -20.8 | 175.5 | -176.4 | -107.2 | 0 | 0 | 0 | 113.6 | Q38 V40 D44 V45 R46 L49 R98 A99 E102 | Q38-F42 VanDerWaalsContact O-CB 3.28Å; Q38-F42 WeakPolarHBondContact O-CB 3.36Å; Q38-F42 PolarHBondContact O-N 2.83Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.09Å; F42-D44 PolarHBondContact O-N 3.39Å; F42-V45 HydrophobicContact CD2-CB 3.95Å; F42-V45 HydrophobicContact CD2-CG1 4.33Å; F42-V45 HydrophobicContact CD2-CG2 4.47Å; F42-V45 HydrophobicContact CE2-CB 4.13Å; F42-V45 HydrophobicContact CE2-CG1 4.08Å; F42-V45 PolarHBondContact O-N 3.28Å; F42-R46 HydrophobicContact CE1-CB 4.46Å; F42-R46 PolarHBondContact O-N 3.09Å; F42-R46 VanDerWaalsContact O-N 3.11Å; F42-L49 HydrophobicContact CE2-CD1 4.37Å; F42-L49 HydrophobicContact CZ-CD1 3.97Å; F42-R98 HydrophobicContact CD1-CB 4Å; F42-R98 HydrophobicContact CD2-CB 3.55Å; F42-R98 HydrophobicContact CE1-CB 4Å; F42-R98 HydrophobicContact CE2-CB 3.56Å; F42-R98 HydrophobicContact CG-CB 3.77Å; F42-R98 HydrophobicContact CG-CG 4.4Å; F42-R98 HydrophobicContact CZ-CB 3.79Å; F42-R98 WeakPolarHBondContact CZ-O 3.23Å; F42-A99 HydrophobicContact CE2-CB 4.02Å; F42-E102 HydrophobicContact CE1-CB 4.18Å; F42-E102 HydrophobicContact CE1-CG 4.31Å; F42-E102 HydrophobicContact CZ-CB 3.8Å; F42-E102 HydrophobicContact CZ-CG 4.12Å |
| 43 | G | 92.8 | Very high | 91.6 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -52.6 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | S39 V40 V41 V45 P47 | S39-G43 PolarHBondContact O-N 3.26Å; V40-G43 WeakPolarHBondContact O-CA 3.28Å; V40-G43 PolarHBondContact O-N 3.1Å; V41-G43 PolarHBondContact O-N 2.97Å; G43-V45 VanDerWaalsContact C-N 3.32Å; G43-V45 PolarHBondContact O-N 3.27Å; G43-P47 WeakPolarHBondContact O-CD 3.49Å |
| 44 | D | 91.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.4 | -25.7 | 177.9 | -70.9 | -4.7 | 0 | 0 | 0 | 113.4 | Y32 V41 F42 L334 | Y32-D44 PolarHBondContact OH-OD1 3.01Å; Y32-D44 PolarHBondContact OH-OD2 3.14Å; V41-D44 PolarHBondContact O-N 3Å; F42-D44 PolarHBondContact O-N 3.39Å; D44-L334 HydrophobicContact CB-CD2 4.42Å |
| 45 | V | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -81.9 | -32.7 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | F42 G43 L48 L49 V60 I95 L334 | F42-V45 HydrophobicContact CD2-CB 3.95Å; F42-V45 HydrophobicContact CD2-CG1 4.33Å; F42-V45 HydrophobicContact CD2-CG2 4.47Å; F42-V45 HydrophobicContact CE2-CB 4.13Å; F42-V45 HydrophobicContact CE2-CG1 4.08Å; F42-V45 PolarHBondContact O-N 3.28Å; G43-V45 VanDerWaalsContact C-N 3.32Å; G43-V45 PolarHBondContact O-N 3.27Å; V45-L48 WeakPolarHBondContact O-CA 3.42Å; V45-L48 VanDerWaalsContact O-CB 3.26Å; V45-L48 WeakPolarHBondContact O-CB 3.46Å; V45-L48 PolarHBondContact O-N 3.32Å; V45-L49 PolarHBondContact O-N 3.25Å; V45-V60 HydrophobicContact CG1-CG2 4.18Å; V45-V60 HydrophobicContact CG2-CG1 4.35Å; V45-I95 HydrophobicContact CG1-CG2 4.13Å; V45-I95 HydrophobicContact CG2-CD1 4.07Å; V45-I95 HydrophobicContact CG2-CG1 4.26Å; V45-I95 HydrophobicContact CG2-CG2 4.08Å; V45-L334 HydrophobicContact CG2-CD2 3.91Å |
| 46 | R | 93.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.5 | -47 | -174.3 | -175.8 | -178.7 | -66.7 | 114.7 | -1.8 | 113.7 | F42 L48 L49 T50 E102 | F42-R46 HydrophobicContact CE1-CB 4.46Å; F42-R46 PolarHBondContact O-N 3.09Å; F42-R46 VanDerWaalsContact O-N 3.11Å; R46-L48 PolarHBondContact O-N 2.71Å; R46-L49 WeakPolarHBondContact O-CB 3.17Å; R46-L49 PolarHBondContact O-N 3.44Å; R46-T50 PolarHBondContact O-N 3.24Å; R46-E102 WeakPolarHBondContact CD-OE1 3.26Å; R46-E102 HydrophobicContact CG-CG 4.34Å; R46-E102 WeakPolarHBondContact CG-OE1 3.08Å; R46-E102 IonicContact NE-OE1 3.81Å; R46-E102 PolarHBondContact NE-OE1 2.76Å |
| 47 | P | 93.9 | Very high | 91.7 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 43% | 0.429 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.3 | -25.9 | 177 | -22.6 | 33.8 | 0 | 0 | 0 | 113.8 | G43 T50 S51 | G43-P47 WeakPolarHBondContact O-CD 3.49Å; P47-T50 PolarHBondContact O-N 3.01Å; P47-S51 PolarHBondContact O-N 3.4Å; P47-S51 VanDerWaalsContact O-N 3.1Å; P47-S51 PolarHBondContact O-OG 3.31Å |
| 48 | L | 93.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.1 | -33.5 | 176.2 | -53.2 | 177.7 | 0 | 0 | 0 | 111.1 | V45 R46 S51 L52 V58 V60 K332 L334 | V45-L48 WeakPolarHBondContact O-CA 3.42Å; V45-L48 VanDerWaalsContact O-CB 3.26Å; V45-L48 WeakPolarHBondContact O-CB 3.46Å; V45-L48 PolarHBondContact O-N 3.32Å; R46-L48 PolarHBondContact O-N 2.71Å; L48-S51 CarbonylContact O-C 3.36Å; L48-S51 WeakPolarHBondContact O-CA 3.01Å; L48-S51 VanDerWaalsContact O-CB 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.21Å; L48-S51 PolarHBondContact O-N 2.96Å; L48-S51 VanDerWaalsContact O-N 3.15Å; L48-L52 PolarHBondContact O-N 3.06Å; L48-V58 HydrophobicContact CB-CG1 3.67Å; L48-V58 HydrophobicContact CB-CG2 4.31Å; L48-V58 HydrophobicContact CD1-CG1 4.13Å; L48-V58 HydrophobicContact CG-CG1 4.43Å; L48-V58 WeakPolarHBondContact O-CG2 3.26Å; L48-V60 HydrophobicContact CD1-CG2 4.01Å; L48-K332 HydrophobicContact CD2-CB 4.16Å; L48-K332 HydrophobicContact CD2-CD 4.12Å; L48-L334 HydrophobicContact CD1-CB 3.77Å; L48-L334 HydrophobicContact CD1-CD2 3.87Å; L48-L334 HydrophobicContact CD1-CG 4.46Å |
| 49 | L | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -36.6 | 175.3 | -57.8 | 179.9 | 0 | 0 | 0 | 112 | F42 V45 R46 S51 L52 L53 A99 E102 L106 L264 | F42-L49 HydrophobicContact CE2-CD1 4.37Å; F42-L49 HydrophobicContact CZ-CD1 3.97Å; V45-L49 PolarHBondContact O-N 3.25Å; R46-L49 WeakPolarHBondContact O-CB 3.17Å; R46-L49 PolarHBondContact O-N 3.44Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-L52 WeakPolarHBondContact O-CB 3.48Å; L49-L52 PolarHBondContact O-N 2.91Å; L49-L53 PolarHBondContact O-N 3.48Å; L49-A99 HydrophobicContact CD1-CB 4.15Å; L49-A99 HydrophobicContact CD2-CB 4.31Å; L49-E102 HydrophobicContact CD1-CB 3.82Å; L49-E102 HydrophobicContact CD1-CG 3.66Å; L49-L106 HydrophobicContact CB-CD1 4.08Å; L49-L264 HydrophobicContact CD2-CD1 4.4Å; L49-L264 HydrophobicContact CD2-CD2 3.66Å |
| 50 | T | 93 | Very high | 92.2 | Very high | 66 Ų | 66 | 29.9 Ų | 29.9 | 41% | 0.405 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 169.7 | -48.2 | 0 | 0 | 0 | 0 | 110.9 | R46 P47 L52 L53 D54 | R46-T50 PolarHBondContact O-N 3.24Å; P47-T50 PolarHBondContact O-N 3.01Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.89Å; T50-L53 PolarHBondContact O-N 3.17Å; T50-L53 VanDerWaalsContact O-N 3.16Å; T50-D54 PolarHBondContact O-N 2.79Å; T50-D54 VanDerWaalsContact O-N 3.15Å |
| 51 | S | 91.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -37.4 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | P47 L48 L49 L53 D54 G55 Y56 K332 | P47-S51 PolarHBondContact O-N 3.4Å; P47-S51 VanDerWaalsContact O-N 3.1Å; P47-S51 PolarHBondContact O-OG 3.31Å; L48-S51 CarbonylContact O-C 3.36Å; L48-S51 WeakPolarHBondContact O-CA 3.01Å; L48-S51 VanDerWaalsContact O-CB 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.21Å; L48-S51 PolarHBondContact O-N 2.96Å; L48-S51 VanDerWaalsContact O-N 3.15Å; L49-S51 VanDerWaalsContact C-N 3.32Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L53 PolarHBondContact O-N 3.36Å; S51-D54 PolarHBondContact O-N 2.93Å; S51-G55 PolarHBondContact O-N 3.47Å; S51-Y56 WeakPolarHBondContact O-CB 3.42Å; S51-Y56 VanDerWaalsContact O-CD2 3.26Å; S51-Y56 WeakPolarHBondContact O-CD2 3.5Å; S51-Y56 PolarHBondContact O-N 3.42Å; S51-Y56 VanDerWaalsContact O-N 3.13Å; S51-K332 PolarHBondContact OG-NZ 2.7Å |
| 52 | L | 92.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 175.1 | -179.5 | 73.8 | 0 | 0 | 0 | 111.4 | L48 L49 T50 D54 G55 Y56 V58 L103 L205 A262 L264 | L48-L52 PolarHBondContact O-N 3.06Å; L49-L52 WeakPolarHBondContact O-CB 3.48Å; L49-L52 PolarHBondContact O-N 2.91Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.89Å; L52-D54 PolarHBondContact O-N 2.51Å; L52-G55 PolarHBondContact O-N 3.19Å; L52-Y56 WeakPolarHBondContact CA-O 3.26Å; L52-V58 HydrophobicContact CB-CG2 4.11Å; L52-L103 HydrophobicContact CD2-CD1 4.02Å; L52-L205 HydrophobicContact CD2-CD1 3.74Å; L52-L205 HydrophobicContact CD2-CG 4.17Å; L52-L205 HydrophobicContact CG-CD1 3.69Å; L52-L205 HydrophobicContact CG-CG 4.29Å; L52-A262 HydrophobicContact CD1-CB 3.98Å; L52-A262 WeakPolarHBondContact O-CB 3.3Å; L52-L264 HydrophobicContact CD1-CB 3.81Å; L52-L264 HydrophobicContact CD2-CB 3.6Å; L52-L264 HydrophobicContact CD2-CD2 4.15Å; L52-L264 HydrophobicContact CD2-CG 4.43Å; L52-L264 HydrophobicContact CG-CB 4.31Å |
| 53 | L | 91.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 26.8 Ų | 26.8 | 18% | 0.183 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.5 | -21.3 | 177.7 | -69.3 | 168.3 | 0 | 0 | 0 | 113.5 | L49 T50 S51 G55 L103 L106 I107 R113 L205 | L49-L53 PolarHBondContact O-N 3.48Å; T50-L53 PolarHBondContact O-N 3.17Å; T50-L53 VanDerWaalsContact O-N 3.16Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L53 PolarHBondContact O-N 3.36Å; L53-G55 VanDerWaalsContact C-N 3.28Å; L53-L103 HydrophobicContact CD2-CD1 4.28Å; L53-L103 HydrophobicContact CG-CD1 4.48Å; L53-L106 HydrophobicContact CD1-CB 3.42Å; L53-L106 VanDerWaalsContact CD1-CB 3.42Å; L53-L106 HydrophobicContact CD1-CD1 3.98Å; L53-L106 HydrophobicContact CD1-CG 4.28Å; L53-I107 HydrophobicContact CD2-CG1 3.84Å; L53-R113 PolarHBondContact O-NH1 3.42Å; L53-L205 HydrophobicContact CD2-CD1 3.76Å; L53-L205 HydrophobicContact CG-CD1 4.47Å |
| 54 | D | 88 | Confident | 92.6 | Very high | 63 Ų | 63 | 25.7 Ų | 25.7 | 34% | 0.337 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.2 | 172.7 | -72.6 | -28 | 0 | 0 | 0 | 113.9 | T50 S51 L52 Y56 R113 K369 | T50-D54 PolarHBondContact O-N 2.79Å; T50-D54 VanDerWaalsContact O-N 3.15Å; S51-D54 PolarHBondContact O-N 2.93Å; L52-D54 PolarHBondContact O-N 2.51Å; D54-Y56 HydrophobicContact CB-CD2 4.07Å; D54-Y56 HydrophobicContact CB-CE2 4.04Å; D54-R113 IonicContact OD1-NH1 3.55Å; D54-R113 PolarHBondContact OD1-NH1 3.32Å; D54-K369 VanDerWaalsContact O-CD 3.26Å; D54-K369 WeakPolarHBondContact O-CD 3.22Å; D54-K369 WeakPolarHBondContact O-CE 3.1Å; D54-K369 PolarHBondContact O-NZ 3.48Å |
| 55 | G | 88.3 | Confident | 92.5 | Very high | 7 Ų | 7 | 23 Ų | 23 | 7% | 0.072 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | 10.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | S51 L52 L53 | S51-G55 PolarHBondContact O-N 3.47Å; L52-G55 PolarHBondContact O-N 3.19Å; L53-G55 VanDerWaalsContact C-N 3.28Å |
| 56 | Y | 87.6 | Confident | 92.1 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 20% | 0.204 | 13% | 0.129 | C | C | . | . | trans | -88.7 | 143 | 177.1 | -61.4 | -69.5 | 0 | 0 | 0 | 111.6 | S51 L52 D54 A367 K369 | S51-Y56 WeakPolarHBondContact O-CB 3.42Å; S51-Y56 VanDerWaalsContact O-CD2 3.26Å; S51-Y56 WeakPolarHBondContact O-CD2 3.5Å; S51-Y56 PolarHBondContact O-N 3.42Å; S51-Y56 VanDerWaalsContact O-N 3.13Å; L52-Y56 WeakPolarHBondContact CA-O 3.26Å; D54-Y56 HydrophobicContact CB-CD2 4.07Å; D54-Y56 HydrophobicContact CB-CE2 4.04Å; Y56-A367 HydrophobicContact CD1-CB 3.64Å; Y56-A367 HydrophobicContact CE1-CB 4.05Å; Y56-A367 WeakPolarHBondContact CE1-O 3.18Å; Y56-A367 HydrophobicContact CG-CB 4.44Å; Y56-K369 HydrophobicContact CD1-CG 4.37Å; Y56-K369 HydrophobicContact CE1-CG 3.8Å | ||
| 57 | N | 90.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 145.6 | 166.3 | -58.1 | -51.2 | 0 | 0 | 0 | 109.8 | R263 D330 A331 K332 | N57-R263 CarbonylContact C-O 3.52Å; N57-R263 VanDerWaalsContact CA-O 3.32Å; N57-R263 WeakPolarHBondContact CA-O 3.49Å; N57-R263 PolarHBondContact OD1-N 2.84Å; N57-D330 WeakPolarHBondContact CB-O 3.31Å; N57-D330 PolarHBondContact ND2-O 2.81Å; N57-A331 HydrophobicContact CB-CB 3.72Å; N57-A331 CarbonylContact O-C 3.57Å; N57-A331 VanDerWaalsContact O-CA 3.29Å; N57-A331 WeakPolarHBondContact O-CA 3.48Å; N57-K332 PolarHBondContact O-N 2.99Å |
| 58 | V | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.8 | -179.1 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | L48 L52 V60 R263 L264 Q265 K332 | L48-V58 HydrophobicContact CB-CG1 3.67Å; L48-V58 HydrophobicContact CB-CG2 4.31Å; L48-V58 HydrophobicContact CD1-CG1 4.13Å; L48-V58 HydrophobicContact CG-CG1 4.43Å; L48-V58 WeakPolarHBondContact O-CG2 3.26Å; L52-V58 HydrophobicContact CB-CG2 4.11Å; V58-V60 HydrophobicContact CG1-CG2 4.21Å; V58-R263 PolarHBondContact N-O 3.28Å; V58-L264 HydrophobicContact CB-CD1 3.87Å; V58-L264 HydrophobicContact CG1-CD1 3.58Å; V58-L264 CarbonylContact O-C 3.53Å; V58-L264 WeakPolarHBondContact O-CA 3.33Å; V58-Q265 PolarHBondContact O-N 2.89Å; V58-K332 CarbonylContact C-O 3.56Å; V58-K332 WeakPolarHBondContact CA-O 3.49Å; V58-K332 HydrophobicContact CG2-CB 4.49Å |
| 59 | C | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.4 | 172.4 | -171.4 | 0 | 0 | 0 | 0 | 109 | M61 Q265 C326 K332 L333 L334 | C59-M61 VanDerWaalsContact SG-CE 3.53Å; C59-Q265 CarbonylContact C-O 3.52Å; C59-Q265 WeakPolarHBondContact CA-O 2.97Å; C59-Q265 HydrophobicContact CB-CB 4.41Å; C59-C326 HydrophobicContact CB-CB 3.63Å; C59-K332 PolarHBondContact N-O 2.82Å; C59-L333 HydrophobicContact CB-CD1 3.9Å; C59-L333 CarbonylContact O-C 3.6Å; C59-L333 WeakPolarHBondContact O-CA 3.46Å; C59-L334 PolarHBondContact O-N 3.36Å |
| 60 | V | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.4 | 172 | -175.5 | 0 | 0 | 0 | 0 | 107 | V45 L48 V58 I95 Q265 L266 V267 L334 I336 | V45-V60 HydrophobicContact CG1-CG2 4.18Å; V45-V60 HydrophobicContact CG2-CG1 4.35Å; L48-V60 HydrophobicContact CD1-CG2 4.01Å; V58-V60 HydrophobicContact CG1-CG2 4.21Å; V60-I95 HydrophobicContact CG1-CD1 4.39Å; V60-Q265 PolarHBondContact N-O 3.47Å; V60-L266 HydrophobicContact CB-CD2 4.03Å; V60-L266 HydrophobicContact CG2-CD2 4.3Å; V60-L266 WeakPolarHBondContact O-CA 3.09Å; V60-V267 PolarHBondContact O-N 3.35Å; V60-L334 WeakPolarHBondContact CA-O 3.27Å; V60-L334 HydrophobicContact CG1-CD2 4.13Å; V60-L334 HydrophobicContact CG1-CG 4.42Å; V60-L334 HydrophobicContact CG2-CB 4.35Å; V60-L334 HydrophobicContact CG2-CD2 4.45Å; V60-I336 HydrophobicContact CG1-CD1 3.98Å |
| 61 | M | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.8 | -178.6 | 64.8 | -178.9 | 59.2 | 0 | 0 | 112.4 | C59 V267 L323 L327 L333 L334 V335 I336 | C59-M61 VanDerWaalsContact SG-CE 3.53Å; M61-V267 VanDerWaalsContact CA-O 3.32Å; M61-V267 WeakPolarHBondContact CA-O 3.47Å; M61-V267 HydrophobicContact CB-CB 3.73Å; M61-V267 HydrophobicContact CB-CG1 4.29Å; M61-V267 HydrophobicContact CB-CG2 4.39Å; M61-L323 HydrophobicContact CE-CD1 4.29Å; M61-L327 HydrophobicContact CE-CD2 4.06Å; M61-L333 HydrophobicContact CE-CD1 3.45Å; M61-L333 VanDerWaalsContact CE-CD1 3.45Å; M61-L333 HydrophobicContact CG-CD1 4.18Å; M61-L333 HydrophobicContact SD-CD1 4.06Å; M61-L334 PolarHBondContact N-O 2.95Å; M61-V335 HydrophobicContact CG-CB 4.27Å; M61-V335 HydrophobicContact CG-CG1 4.19Å; M61-V335 HydrophobicContact CG-CG2 3.9Å; M61-V335 WeakPolarHBondContact O-CA 3.18Å; M61-V335 HydrophobicContact SD-CG2 4.02Å; M61-I336 PolarHBondContact O-N 2.6Å |
| 62 | A | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K70 M74 V267 L269 I336 | A62-K70 HydrophobicContact CB-CB 4.06Å; A62-K70 HydrophobicContact CB-CG 4.36Å; A62-M74 HydrophobicContact CB-CG 3.61Å; A62-M74 HydrophobicContact CB-SD 4.02Å; A62-V267 PolarHBondContact N-O 2.97Å; A62-L269 WeakPolarHBondContact O-CB 3.43Å; A62-L269 WeakPolarHBondContact O-CG 3.39Å; A62-L269 PolarHBondContact O-N 3.01Å; A62-I336 WeakPolarHBondContact CA-O 3.45Å |
| 63 | Y | 95 | Very high | 91.2 | Very high | 17 Ų | 17 | 24.5 Ų | 24.5 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.7 | 180 | 179.6 | -85.4 | 0 | 0 | 0 | 111.1 | L269 S272 L295 I336 L337 C338 F355 | Y63-L269 HydrophobicContact CD2-CD1 3.75Å; Y63-L269 HydrophobicContact CG-CD1 4.44Å; Y63-S272 WeakPolarHBondContact OH-CB 3.28Å; Y63-L295 HydrophobicContact CD2-CD2 4.34Å; Y63-L295 HydrophobicContact CE2-CD2 4Å; Y63-I336 PolarHBondContact N-O 2.91Å; Y63-L337 HydrophobicContact CD1-CD2 4Å; Y63-L337 CarbonylContact O-C 3.55Å; Y63-L337 WeakPolarHBondContact O-CA 3.39Å; Y63-C338 PolarHBondContact O-N 2.82Å; Y63-F355 HydrophobicContact CD1-CB 4.35Å; Y63-F355 AromaticContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CE1 4.27Å; Y63-F355 HydrophobicContact CD1-CG 4.05Å; Y63-F355 HydrophobicContact CD2-CD1 4.26Å; Y63-F355 HydrophobicContact CD2-CD2 4.41Å; Y63-F355 HydrophobicContact CD2-CE1 4.02Å; Y63-F355 HydrophobicContact CD2-CE2 4.16Å; Y63-F355 HydrophobicContact CD2-CG 4.46Å; Y63-F355 AromaticContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CE1-CB 3.86Å; Y63-F355 HydrophobicContact CE1-CD1 4.08Å; Y63-F355 HydrophobicContact CE1-CD2 4.28Å; Y63-F355 AromaticContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE2-CD1 4.48Å; Y63-F355 AromaticContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CE1 4.48Å; Y63-F355 AromaticContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CG 4.22Å; Y63-F355 HydrophobicContact CE2-CZ 4.22Å; Y63-F355 AromaticContact CG-CD1 3.92Å; Y63-F355 HydrophobicContact CG-CD1 3.92Å; Y63-F355 AromaticContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CG 4.38Å; Y63-F355 HydrophobicContact CG-CZ 4.32Å; Y63-F355 AromaticContact CZ-CD2 3.88Å; Y63-F355 AromaticContact CZ-CG 3.9Å |
| 64 | G | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | 157.3 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K70 S272 C338 | G64-K70 WeakPolarHBondContact O-CD 3.47Å; G64-K70 WeakPolarHBondContact O-CE 3.46Å; G64-K70 PolarHBondContact O-NZ 3.15Å; G64-S272 PolarHBondContact O-N 3.1Å; G64-C338 WeakPolarHBondContact CA-O 3.47Å | ||
| 65 | Q | 88.6 | Confident | 91.5 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -61.7 | 161.6 | 178.1 | 64.8 | 168.1 | 81.9 | 0 | 0 | 112.5 | G67 S68 K70 S272 H345 Q348 | Q65-G67 PolarHBondContact O-N 3.43Å; Q65-S68 WeakPolarHBondContact O-CB 3.05Å; Q65-S68 PolarHBondContact O-N 3.06Å; Q65-S68 PolarHBondContact O-OG 3.21Å; Q65-K70 VanDerWaalsContact C-NZ 3.34Å; Q65-K70 PolarHBondContact O-NZ 3.21Å; Q65-S272 PolarHBondContact N-OG 2.94Å; Q65-H345 PolarHBondContact NE2-CE1 3.27Å; Q65-H345 PolarHBondContact NE2-ND1 3.15Å; Q65-H345 PolarHBondContact NE2-NE2 3.49Å; Q65-H345 VanDerWaalsContact OE1-CB 3.23Å; Q65-Q348 HydrophobicContact CB-CB 4.12Å; Q65-Q348 HydrophobicContact CB-CG 4.39Å; Q65-Q348 VanDerWaalsContact OE1-CB 3.28Å |
| 66 | T | 86.8 | Confident | 91.5 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 23% | 0.227 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 138.1 | 166.9 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | S68 S195 G271 E273 | T66-S68 VanDerWaalsContact C-N 3.29Å; T66-S68 PolarHBondContact O-N 2.86Å; T66-S195 VanDerWaalsContact OG1-CB 3.31Å; T66-S195 WeakPolarHBondContact OG1-CB 3.24Å; T66-G271 WeakPolarHBondContact OG1-CA 3.44Å; T66-E273 WeakPolarHBondContact CB-OE2 3.46Å; T66-E273 PolarHBondContact N-OE2 2.93Å; T66-E273 PolarHBondContact OG1-OE1 3.01Å; T66-E273 PolarHBondContact OG1-OE2 3.05Å |
| 67 | G | 84.4 | Confident | 91.1 | Very high | 77 Ų | 77 | 20.7 Ų | 20.7 | 79% | 0.794 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 5.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q65 G69 | Q65-G67 PolarHBondContact O-N 3.43Å; G67-G69 VanDerWaalsContact C-N 3.33Å |
| 68 | S | 88.9 | Confident | 89.8 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -80.5 | -7.7 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | Q65 T66 C338 | Q65-S68 WeakPolarHBondContact O-CB 3.05Å; Q65-S68 PolarHBondContact O-N 3.06Å; Q65-S68 PolarHBondContact O-OG 3.21Å; T66-S68 VanDerWaalsContact C-N 3.29Å; T66-S68 PolarHBondContact O-N 2.86Å; S68-C338 VanDerWaalsContact CB-O 3.24Å; S68-C338 WeakPolarHBondContact CB-O 3.28Å; S68-C338 WeakPolarHBondContact OG-CB 3.34Å; S68-C338 PolarHBondContact OG-O 3.4Å |
| 69 | G | 89.9 | Confident | 87.8 | Confident | 26 Ų | 26 | 29.8 Ų | 29.8 | 27% | 0.268 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 101.3 | 16.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G67 Y72 T73 | G67-G69 VanDerWaalsContact C-N 3.33Å; G69-Y72 PolarHBondContact O-N 3.32Å; G69-T73 WeakPolarHBondContact O-CB 3.48Å; G69-T73 PolarHBondContact O-N 3.18Å; G69-T73 PolarHBondContact O-OG1 3.39Å |
| 70 | K | 92.8 | Very high | 85.6 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54 | -59.4 | 176 | -62.4 | -176.2 | -62.9 | -64.9 | 0 | 113.2 | A62 G64 Q65 Y72 T73 M74 D268 L269 C338 | A62-K70 HydrophobicContact CB-CB 4.06Å; A62-K70 HydrophobicContact CB-CG 4.36Å; G64-K70 WeakPolarHBondContact O-CD 3.47Å; G64-K70 WeakPolarHBondContact O-CE 3.46Å; G64-K70 PolarHBondContact O-NZ 3.15Å; Q65-K70 VanDerWaalsContact C-NZ 3.34Å; Q65-K70 PolarHBondContact O-NZ 3.21Å; K70-Y72 VanDerWaalsContact C-N 3.3Å; K70-Y72 PolarHBondContact O-N 3.15Å; K70-T73 WeakPolarHBondContact O-CB 3.04Å; K70-T73 PolarHBondContact O-N 3.49Å; K70-T73 VanDerWaalsContact O-N 3.1Å; K70-M74 PolarHBondContact O-N 3.16Å; K70-D268 WeakPolarHBondContact CB-OD1 3.4Å; K70-L269 WeakPolarHBondContact CD-O 3.5Å; K70-L269 WeakPolarHBondContact CE-O 3.24Å; K70-C338 HydrophobicContact CG-CB 3.92Å |
| 71 | S | 90.8 | Very high | 83.2 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -32.8 | -179.4 | -48 | 0 | 0 | 0 | 0 | 111.8 | M74 L75 D268 | S71-M74 PolarHBondContact O-N 3.2Å; S71-L75 WeakPolarHBondContact O-CB 3.33Å; S71-L75 PolarHBondContact O-N 2.87Å; S71-D268 PolarHBondContact N-OD1 2.95Å; S71-D268 PolarHBondContact OG-OD1 3.27Å; S71-D268 PolarHBondContact OG-OD2 3.41Å |
| 72 | Y | 91.4 | Very high | 80.8 | Confident | 99 Ų | 99 | 46.3 Ų | 46.3 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 170.5 | -179.1 | -92.5 | 0 | 0 | 0 | 111.4 | Q38 G69 K70 M74 G76 | Q38-Y72 HydrophobicContact CG-CE1 4.21Å; Q38-Y72 VanDerWaalsContact NE2-CE1 3.33Å; Q38-Y72 PolarHBondContact NE2-O 3.04Å; G69-Y72 PolarHBondContact O-N 3.32Å; K70-Y72 VanDerWaalsContact C-N 3.3Å; K70-Y72 PolarHBondContact O-N 3.15Å; Y72-M74 PolarHBondContact O-N 3.36Å; Y72-G76 WeakPolarHBondContact O-CA 3.25Å; Y72-G76 PolarHBondContact O-N 3.3Å |
| 73 | T | 94.2 | Very high | 78.5 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | V41 G69 K70 G94 I95 I336 | V41-T73 HydrophobicContact CG1-CG2 4.3Å; G69-T73 WeakPolarHBondContact O-CB 3.48Å; G69-T73 PolarHBondContact O-N 3.18Å; G69-T73 PolarHBondContact O-OG1 3.39Å; K70-T73 WeakPolarHBondContact O-CB 3.04Å; K70-T73 PolarHBondContact O-N 3.49Å; K70-T73 VanDerWaalsContact O-N 3.1Å; T73-G94 CarbonylContact O-C 3.58Å; T73-G94 VanDerWaalsContact O-CA 3.3Å; T73-G94 WeakPolarHBondContact O-CA 3.19Å; T73-I95 HydrophobicContact CG2-CD1 3.8Å; T73-I95 WeakPolarHBondContact O-CG1 3.44Å; T73-I95 PolarHBondContact O-N 3.37Å; T73-I336 HydrophobicContact CG2-CD1 4.22Å; T73-I336 HydrophobicContact CG2-CG2 4.08Å |
| 74 | M | 95.1 | Very high | 76.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -78.5 | -41.5 | -175.8 | -67.5 | -60.2 | -68.7 | 0 | 0 | 113.3 | A62 K70 S71 Y72 G94 I95 I96 L266 D268 | A62-M74 HydrophobicContact CB-CG 3.61Å; A62-M74 HydrophobicContact CB-SD 4.02Å; K70-M74 PolarHBondContact O-N 3.16Å; S71-M74 PolarHBondContact O-N 3.2Å; Y72-M74 PolarHBondContact O-N 3.36Å; M74-G94 CarbonylContact O-C 3.55Å; M74-I95 PolarHBondContact O-N 2.89Å; M74-I95 VanDerWaalsContact O-N 3.14Å; M74-I95 HydrophobicContact SD-CB 4.41Å; M74-I95 HydrophobicContact SD-CD1 4.16Å; M74-I96 HydrophobicContact CB-CD1 3.92Å; M74-I96 HydrophobicContact CE-CD1 4.17Å; M74-I96 HydrophobicContact CE-CG1 4.08Å; M74-I96 VanDerWaalsContact O-CB 3.27Å; M74-I96 WeakPolarHBondContact O-CB 3.48Å; M74-I96 WeakPolarHBondContact O-CD1 3.27Å; M74-I96 VanDerWaalsContact O-CG1 3.28Å; M74-I96 WeakPolarHBondContact O-CG1 3.46Å; M74-I96 PolarHBondContact O-N 3.49Å; M74-L266 HydrophobicContact CE-CB 3.83Å; M74-D268 HydrophobicContact CB-CB 4.24Å; M74-D268 HydrophobicContact CG-CB 4.08Å |
| 75 | L | 90.8 | Very high | 74.4 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -110.6 | -32.5 | -173.9 | -68.6 | 163.2 | 0 | 0 | 0 | 113.1 | S71 G94 I96 V176 L180 | S71-L75 WeakPolarHBondContact O-CB 3.33Å; S71-L75 PolarHBondContact O-N 2.87Å; L75-G94 PolarHBondContact O-N 3.11Å; L75-I96 HydrophobicContact CD2-CB 4.29Å; L75-I96 HydrophobicContact CD2-CD1 3.53Å; L75-I96 HydrophobicContact CD2-CG2 4.46Å; L75-I96 HydrophobicContact CG-CD1 3.9Å; L75-V176 HydrophobicContact CD2-CG1 4.01Å; L75-L180 HydrophobicContact CD1-CD1 3.76Å; L75-L180 HydrophobicContact CD1-CD2 3.82Å; L75-L180 HydrophobicContact CD1-CG 4.45Å; L75-L180 HydrophobicContact CD2-CD1 3.85Å; L75-L180 HydrophobicContact CG-CD1 4.45Å |
| 76 | G | 87.9 | Confident | 72.6 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | trans | 90.5 | -170.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y72 H78 D92 | Y72-G76 WeakPolarHBondContact O-CA 3.25Å; Y72-G76 PolarHBondContact O-N 3.3Å; G76-H78 PolarHBondContact O-N 2.72Å; G76-D92 VanDerWaalsContact CA-O 3.28Å; G76-D92 WeakPolarHBondContact CA-O 3.17Å | ||
| 77 | P | 80.8 | Confident | 71.3 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -63.7 | 136.5 | 175.3 | 26.5 | -31.4 | 0 | 0 | 0 | 110.2 | S79 D92 | P77-S79 PolarHBondContact O-N 3.44Å; P77-D92 WeakPolarHBondContact CD-O 3.29Å; P77-D92 HydrophobicContact CG-CB 3.69Å |
| 78 | H | 61.6 | Low | 70.2 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | trans | -70.6 | 89.8 | 173.4 | -61.8 | -64.4 | 0 | 0 | 0 | 109.4 | G76 D80 | G76-H78 PolarHBondContact O-N 2.72Å; H78-D80 PolarHBondContact O-N 2.96Å | ||
| 79 | S | 51.3 | Low | 68.7 | Low | 84 Ų | 84 | 69.4 Ų | 69.4 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | trans | -84.3 | 96.6 | 163.3 | 53 | 0 | 0 | 0 | 0 | 108 | P77 D81 | P77-S79 PolarHBondContact O-N 3.44Å; S79-D81 PolarHBondContact O-N 2.98Å | ||
| 80 | D | 48.4 | Very low | 67.4 | Low | 146 Ų | 146 | 75.9 Ų | 75.9 | 78% | 0.781 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -65.2 | -18.4 | 176 | -97.2 | -26.2 | 0 | 0 | 0 | 112.9 | H78 | H78-D80 PolarHBondContact O-N 2.96Š|
| 81 | D | 44.6 | Very low | 66.7 | Low | 162 Ų | 162 | 77.2 Ų | 77.2 | 87% | 0.866 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -129.2 | 98.1 | -179.1 | -84.9 | -40.8 | 0 | 0 | 0 | 111.4 | S79 | S79-D81 PolarHBondContact O-N 2.98Š|
| 82 | G | 45.6 | Very low | 66.4 | Low | 39 Ų | 39 | 80.2 Ų | 80.2 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | trans | 171.5 | 138.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V84 | G82-V84 PolarHBondContact O-N 3.17Š| ||
| 83 | P | 47.1 | Very low | 66.3 | Low | 109 Ų | 109 | 77 Ų | 77 | 71% | 0.708 | 44% | 0.444 | S | S | * | . | trans | -57.4 | 140.3 | 163.8 | 25.5 | -30.7 | 0 | 0 | 0 | 108.7 | L85 | P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 HydrophobicContact CG-CD2 4.49Å; P83-L85 PolarHBondContact O-N 3.21Å | ||
| 84 | V | 50.8 | Low | 66.2 | Low | 63 Ų | 63 | 76.2 Ų | 76.2 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | trans | -65.3 | 94.4 | 171.5 | -177.1 | 0 | 0 | 0 | 0 | 106.3 | G82 | G82-V84 PolarHBondContact O-N 3.17Š| ||
| 85 | L | 50.8 | Low | 66.3 | Low | 128 Ų | 128 | 76.2 Ų | 76.2 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | trans | -68.3 | 160.5 | 170.8 | -68.2 | 177.8 | 0 | 0 | 0 | 108.8 | P83 L87 | P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 HydrophobicContact CG-CD2 4.49Å; P83-L85 PolarHBondContact O-N 3.21Å; L85-L87 PolarHBondContact O-N 3.46Å | ||
| 86 | P | 51.6 | Low | 66.5 | Low | 118 Ų | 118 | 75.6 Ų | 75.6 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | trans | -49.8 | 137.6 | 179 | -23.6 | 31.9 | 0 | 0 | 0 | 110.9 | D88 | P86-D88 PolarHBondContact O-N 3.39Š| ||
| 87 | L | 58.5 | Low | 66.9 | Low | 54 Ų | 54 | 75.8 Ų | 75.8 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | trans | -52.6 | 101.9 | 177.2 | -86.8 | 162.3 | 0 | 0 | 0 | 110.5 | L85 L93 R98 E101 | L85-L87 PolarHBondContact O-N 3.46Å; L87-L93 HydrophobicContact CD2-CB 4.08Å; L87-L93 HydrophobicContact CD2-CD1 3.59Å; L87-L93 HydrophobicContact CD2-CG 4.48Å; L87-L93 HydrophobicContact CG-CD1 4.4Å; L87-R98 HydrophobicContact CD1-CG 4.45Å; L87-R98 HydrophobicContact CD2-CG 3.78Å; L87-E101 HydrophobicContact CD1-CB 3.37Å; L87-E101 HydrophobicContact CD1-CG 3.42Å; L87-E101 VanDerWaalsContact CD1-CG 3.42Å; L87-E101 HydrophobicContact CG-CG 4.2Å | ||
| 88 | D | 60.7 | Low | 67.5 | Low | 91 Ų | 91 | 73.6 Ų | 73.6 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | trans | -70.5 | 132.1 | 163.2 | -172.6 | -21.7 | 0 | 0 | 0 | 107.9 | P86 Q90 S91 | P86-D88 PolarHBondContact O-N 3.39Å; D88-Q90 PolarHBondContact O-N 3.29Å; D88-Q90 VanDerWaalsContact O-N 3.1Å; D88-Q90 WeakPolarHBondContact OD1-CB 2.93Å; D88-Q90 PolarHBondContact OD1-N 2.89Å; D88-S91 WeakPolarHBondContact O-CB 2.97Å; D88-S91 PolarHBondContact O-N 3.06Å | ||
| 89 | P | 58.7 | Low | 69.2 | Low | 89 Ų | 89 | 67.7 Ų | 67.7 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -31.6 | 168.3 | -29.4 | 35.2 | 0 | 0 | 0 | 114 | S91 | P89-S91 VanDerWaalsContact C-N 3.3Š|
| 90 | Q | 61.5 | Low | 71.3 | Confident | 162 Ų | 162 | 63.8 Ų | 63.8 | 76% | 0.757 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.5 | 176.8 | -61.1 | -62.9 | -28.9 | 0 | 0 | 114.1 | D88 | D88-Q90 PolarHBondContact O-N 3.29Å; D88-Q90 VanDerWaalsContact O-N 3.1Å; D88-Q90 WeakPolarHBondContact OD1-CB 2.93Å; D88-Q90 PolarHBondContact OD1-N 2.89Å |
| 91 | S | 78.8 | Confident | 73.5 | Confident | 37 Ų | 37 | 60 Ų | 60 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | trans | -69.6 | 138 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | D88 P89 L93 R98 | D88-S91 WeakPolarHBondContact O-CB 2.97Å; D88-S91 PolarHBondContact O-N 3.06Å; P89-S91 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 3.2Å; S91-L93 WeakPolarHBondContact OG-CD1 3.44Å; S91-L93 VanDerWaalsContact OG-CG 3.23Å; S91-L93 WeakPolarHBondContact OG-CG 3.32Å; S91-L93 PolarHBondContact OG-N 3.33Å; S91-R98 PolarHBondContact O-NH2 3.45Å | ||
| 92 | D | 83.4 | Confident | 75.9 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | trans | -79.5 | 10.9 | 175.8 | -73 | -29.1 | 0 | 0 | 0 | 113.9 | Q38 G76 P77 G94 | Q38-D92 WeakPolarHBondContact CG-O 3.4Å; Q38-D92 PolarHBondContact NE2-O 3.27Å; G76-D92 VanDerWaalsContact CA-O 3.28Å; G76-D92 WeakPolarHBondContact CA-O 3.17Å; P77-D92 WeakPolarHBondContact CD-O 3.29Å; P77-D92 HydrophobicContact CG-CB 3.69Å; D92-G94 PolarHBondContact O-N 2.78Å | ||
| 93 | L | 89.8 | Confident | 78.3 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | trans | -55.6 | 137.3 | 176.3 | -74.4 | 173.8 | 0 | 0 | 0 | 111.6 | Q38 L87 S91 P97 R98 | Q38-L93 VanDerWaalsContact CB-O 3.26Å; Q38-L93 WeakPolarHBondContact CB-O 3.36Å; L87-L93 HydrophobicContact CD2-CB 4.08Å; L87-L93 HydrophobicContact CD2-CD1 3.59Å; L87-L93 HydrophobicContact CD2-CG 4.48Å; L87-L93 HydrophobicContact CG-CD1 4.4Å; S91-L93 PolarHBondContact O-N 3.2Å; S91-L93 WeakPolarHBondContact OG-CD1 3.44Å; S91-L93 VanDerWaalsContact OG-CG 3.23Å; S91-L93 WeakPolarHBondContact OG-CG 3.32Å; S91-L93 PolarHBondContact OG-N 3.33Å; L93-P97 HydrophobicContact CB-CB 4.43Å; L93-P97 HydrophobicContact CB-CG 3.87Å; L93-P97 HydrophobicContact CD1-CB 4.5Å; L93-P97 HydrophobicContact CD2-CB 4.29Å; L93-P97 HydrophobicContact CD2-CG 3.97Å; L93-P97 HydrophobicContact CG-CG 4.39Å; L93-R98 WeakPolarHBondContact O-CD 3.43Å; L93-R98 PolarHBondContact O-NE 3.37Å | ||
| 94 | G | 93.3 | Very high | 80.6 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | -82.3 | -167.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T73 M74 L75 D92 I96 P97 R98 | T73-G94 CarbonylContact O-C 3.58Å; T73-G94 VanDerWaalsContact O-CA 3.3Å; T73-G94 WeakPolarHBondContact O-CA 3.19Å; M74-G94 CarbonylContact O-C 3.55Å; L75-G94 PolarHBondContact O-N 3.11Å; D92-G94 PolarHBondContact O-N 2.78Å; G94-I96 PolarHBondContact O-N 3.14Å; G94-P97 WeakPolarHBondContact O-CD 3.26Å; G94-P97 WeakPolarHBondContact O-CG 3.36Å; G94-R98 WeakPolarHBondContact O-CB 3.35Å; G94-R98 WeakPolarHBondContact O-CD 3.49Å; G94-R98 VanDerWaalsContact O-CG 3.23Å; G94-R98 WeakPolarHBondContact O-CG 3.36Å; G94-R98 PolarHBondContact O-N 2.97Å | ||
| 95 | I | 95.8 | Very high | 82.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | -176.1 | -68.9 | 169.1 | 0 | 0 | 0 | 113 | V41 V45 V60 T73 M74 R98 A99 L266 I336 | V41-I95 HydrophobicContact CG1-CD1 4.4Å; V45-I95 HydrophobicContact CG1-CG2 4.13Å; V45-I95 HydrophobicContact CG2-CD1 4.07Å; V45-I95 HydrophobicContact CG2-CG1 4.26Å; V45-I95 HydrophobicContact CG2-CG2 4.08Å; V60-I95 HydrophobicContact CG1-CD1 4.39Å; T73-I95 HydrophobicContact CG2-CD1 3.8Å; T73-I95 WeakPolarHBondContact O-CG1 3.44Å; T73-I95 PolarHBondContact O-N 3.37Å; M74-I95 PolarHBondContact O-N 2.89Å; M74-I95 VanDerWaalsContact O-N 3.14Å; M74-I95 HydrophobicContact SD-CB 4.41Å; M74-I95 HydrophobicContact SD-CD1 4.16Å; I95-R98 PolarHBondContact O-N 3.45Å; I95-A99 WeakPolarHBondContact O-CB 3.5Å; I95-A99 PolarHBondContact O-N 2.85Å; I95-L266 HydrophobicContact CG2-CD2 4.23Å; I95-I336 HydrophobicContact CD1-CD1 3.16Å |
| 96 | I | 96.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -57 | -176.4 | -66.5 | 159.4 | 0 | 0 | 0 | 111.9 | M74 L75 G94 R98 A99 A100 M173 V176 I201 L266 | M74-I96 HydrophobicContact CB-CD1 3.92Å; M74-I96 HydrophobicContact CE-CD1 4.17Å; M74-I96 HydrophobicContact CE-CG1 4.08Å; M74-I96 VanDerWaalsContact O-CB 3.27Å; M74-I96 WeakPolarHBondContact O-CB 3.48Å; M74-I96 WeakPolarHBondContact O-CD1 3.27Å; M74-I96 VanDerWaalsContact O-CG1 3.28Å; M74-I96 WeakPolarHBondContact O-CG1 3.46Å; M74-I96 PolarHBondContact O-N 3.49Å; L75-I96 HydrophobicContact CD2-CB 4.29Å; L75-I96 HydrophobicContact CD2-CD1 3.53Å; L75-I96 HydrophobicContact CD2-CG2 4.46Å; L75-I96 HydrophobicContact CG-CD1 3.9Å; G94-I96 PolarHBondContact O-N 3.14Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.49Å; I96-A99 PolarHBondContact O-N 2.89Å; I96-A100 WeakPolarHBondContact O-CB 3.26Å; I96-A100 PolarHBondContact O-N 3.38Å; I96-M173 HydrophobicContact CG2-SD 3.99Å; I96-V176 HydrophobicContact CG2-CG1 4.38Å; I96-V176 HydrophobicContact CG2-CG2 4.31Å; I96-I201 HydrophobicContact CD1-CD1 3.66Å; I96-I201 HydrophobicContact CG1-CD1 4.22Å; I96-I201 HydrophobicContact CG2-CD1 4.05Å; I96-L266 HydrophobicContact CB-CD1 4.32Å; I96-L266 HydrophobicContact CG1-CB 4.06Å; I96-L266 HydrophobicContact CG1-CD1 3.86Å; I96-L266 HydrophobicContact CG2-CD1 4.38Å |
| 97 | P | 94.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 177.6 | 21.8 | -32.4 | 0 | 0 | 0 | 112.8 | L93 G94 A100 E101 M173 | L93-P97 HydrophobicContact CB-CB 4.43Å; L93-P97 HydrophobicContact CB-CG 3.87Å; L93-P97 HydrophobicContact CD1-CB 4.5Å; L93-P97 HydrophobicContact CD2-CB 4.29Å; L93-P97 HydrophobicContact CD2-CG 3.97Å; L93-P97 HydrophobicContact CG-CG 4.39Å; G94-P97 WeakPolarHBondContact O-CD 3.26Å; G94-P97 WeakPolarHBondContact O-CG 3.36Å; P97-A100 WeakPolarHBondContact O-CB 3.49Å; P97-A100 PolarHBondContact O-N 3.1Å; P97-E101 PolarHBondContact O-N 2.88Å; P97-M173 HydrophobicContact CB-CE 3.92Å; P97-M173 HydrophobicContact CB-SD 3.97Å; P97-M173 HydrophobicContact CG-CE 4.49Å |
| 98 | R | 94.7 | Very high | 88.3 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 6% | 0.06 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 176.4 | -70.3 | 175.7 | 179.8 | -79.8 | 2.7 | 112.5 | F42 L87 S91 L93 G94 I95 I96 A100 E102 | F42-R98 HydrophobicContact CD1-CB 4Å; F42-R98 HydrophobicContact CD2-CB 3.55Å; F42-R98 HydrophobicContact CE1-CB 4Å; F42-R98 HydrophobicContact CE2-CB 3.56Å; F42-R98 HydrophobicContact CG-CB 3.77Å; F42-R98 HydrophobicContact CG-CG 4.4Å; F42-R98 HydrophobicContact CZ-CB 3.79Å; F42-R98 WeakPolarHBondContact CZ-O 3.23Å; L87-R98 HydrophobicContact CD1-CG 4.45Å; L87-R98 HydrophobicContact CD2-CG 3.78Å; S91-R98 PolarHBondContact O-NH2 3.45Å; L93-R98 WeakPolarHBondContact O-CD 3.43Å; L93-R98 PolarHBondContact O-NE 3.37Å; G94-R98 WeakPolarHBondContact O-CB 3.35Å; G94-R98 WeakPolarHBondContact O-CD 3.49Å; G94-R98 VanDerWaalsContact O-CG 3.23Å; G94-R98 WeakPolarHBondContact O-CG 3.36Å; G94-R98 PolarHBondContact O-N 2.97Å; I95-R98 PolarHBondContact O-N 3.45Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.49Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-E102 VanDerWaalsContact O-CB 3.24Å; R98-E102 WeakPolarHBondContact O-CB 3.38Å; R98-E102 PolarHBondContact O-N 3.13Å |
| 99 | A | 96.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F42 L49 I95 I96 L103 L266 | F42-A99 HydrophobicContact CE2-CB 4.02Å; L49-A99 HydrophobicContact CD1-CB 4.15Å; L49-A99 HydrophobicContact CD2-CB 4.31Å; I95-A99 WeakPolarHBondContact O-CB 3.5Å; I95-A99 PolarHBondContact O-N 2.85Å; I96-A99 PolarHBondContact O-N 2.89Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.34Å; A99-L266 HydrophobicContact CB-CD1 4.33Å |
| 100 | A | 95.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -57.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | I96 P97 R98 E102 L103 F104 A169 L172 M173 | I96-A100 WeakPolarHBondContact O-CB 3.26Å; I96-A100 PolarHBondContact O-N 3.38Å; P97-A100 WeakPolarHBondContact O-CB 3.49Å; P97-A100 PolarHBondContact O-N 3.1Å; R98-A100 VanDerWaalsContact C-N 3.33Å; A100-E102 PolarHBondContact O-N 2.64Å; A100-L103 PolarHBondContact O-N 2.72Å; A100-F104 VanDerWaalsContact O-CD2 3.28Å; A100-F104 WeakPolarHBondContact O-CD2 3.1Å; A100-F104 PolarHBondContact O-N 3.35Å; A100-F104 VanDerWaalsContact O-N 3.13Å; A100-A169 HydrophobicContact CB-CB 4.08Å; A100-L172 HydrophobicContact CB-CD2 3.5Å; A100-M173 HydrophobicContact CB-CG 4.28Å; A100-M173 HydrophobicContact CB-SD 4.29Å |
| 101 | E | 94.4 | Very high | 91.5 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -45.8 | -178.6 | -68.2 | -66.2 | 164.2 | 0 | 0 | 111.9 | L87 P97 L103 F104 R105 A169 | L87-E101 HydrophobicContact CD1-CB 3.37Å; L87-E101 HydrophobicContact CD1-CG 3.42Å; L87-E101 VanDerWaalsContact CD1-CG 3.42Å; L87-E101 HydrophobicContact CG-CG 4.2Å; P97-E101 PolarHBondContact O-N 2.88Å; E101-L103 PolarHBondContact O-N 2.76Å; E101-F104 PolarHBondContact O-N 3.28Å; E101-R105 WeakPolarHBondContact O-CB 3.48Å; E101-R105 PolarHBondContact O-N 2.81Å; E101-A169 HydrophobicContact CB-CB 4.49Å; E101-A169 HydrophobicContact CG-CB 4.03Å; E101-A169 WeakPolarHBondContact OE1-CB 3.42Å |
| 102 | E | 95.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 179.6 | -177.4 | 67.1 | 171.1 | 0 | 0 | 112.4 | F42 R46 L49 R98 A100 R105 L106 | F42-E102 HydrophobicContact CE1-CB 4.18Å; F42-E102 HydrophobicContact CE1-CG 4.31Å; F42-E102 HydrophobicContact CZ-CB 3.8Å; F42-E102 HydrophobicContact CZ-CG 4.12Å; R46-E102 WeakPolarHBondContact CD-OE1 3.26Å; R46-E102 HydrophobicContact CG-CG 4.34Å; R46-E102 WeakPolarHBondContact CG-OE1 3.08Å; R46-E102 IonicContact NE-OE1 3.81Å; R46-E102 PolarHBondContact NE-OE1 2.76Å; L49-E102 HydrophobicContact CD1-CB 3.82Å; L49-E102 HydrophobicContact CD1-CG 3.66Å; R98-E102 VanDerWaalsContact O-CB 3.24Å; R98-E102 WeakPolarHBondContact O-CB 3.38Å; R98-E102 PolarHBondContact O-N 3.13Å; A100-E102 PolarHBondContact O-N 2.64Å; E102-R105 PolarHBondContact O-N 3.13Å; E102-R105 IonicContact OE1-CZ 3.14Å; E102-R105 IonicContact OE1-NE 2.69Å; E102-R105 IonicContact OE1-NH2 3.73Å; E102-R105 PolarHBondContact OE1-NH2 2.87Å; E102-R105 IonicContact OE2-CZ 3.04Å; E102-R105 IonicContact OE2-NE 2.72Å; E102-R105 PolarHBondContact OE2-NE 3.37Å; E102-R105 IonicContact OE2-NH2 2.62Å; E102-R105 PolarHBondContact OE2-NH2 3.18Å; E102-L106 HydrophobicContact CG-CD1 4.15Å; E102-L106 WeakPolarHBondContact O-CB 3.23Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 2.8Å |
| 103 | L | 95.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 177.1 | 176.1 | 61.5 | 0 | 0 | 0 | 111.1 | L52 L53 A99 A100 E101 R105 L106 I107 V203 L205 | L52-L103 HydrophobicContact CD2-CD1 4.02Å; L53-L103 HydrophobicContact CD2-CD1 4.28Å; L53-L103 HydrophobicContact CG-CD1 4.48Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.34Å; A100-L103 PolarHBondContact O-N 2.72Å; E101-L103 PolarHBondContact O-N 2.76Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.42Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-I107 HydrophobicContact CD1-CD1 3.97Å; L103-I107 HydrophobicContact CD1-CG1 4.37Å; L103-I107 HydrophobicContact CG-CD1 3.9Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 2.89Å; L103-V203 HydrophobicContact CD2-CG1 3.89Å; L103-L205 HydrophobicContact CD1-CD1 4.25Å; L103-L205 HydrophobicContact CD2-CD2 4.5Å |
| 104 | F | 95.2 | Very high | 90.1 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.3 | -29.3 | 179.8 | -79.5 | -78.4 | 0 | 0 | 0 | 112.8 | A100 E101 I107 S108 V117 V166 G167 S168 A169 L172 | A100-F104 VanDerWaalsContact O-CD2 3.28Å; A100-F104 WeakPolarHBondContact O-CD2 3.1Å; A100-F104 PolarHBondContact O-N 3.35Å; A100-F104 VanDerWaalsContact O-N 3.13Å; E101-F104 PolarHBondContact O-N 3.28Å; F104-I107 HydrophobicContact CD1-CD1 4.48Å; F104-S108 WeakPolarHBondContact O-CB 3.49Å; F104-S108 PolarHBondContact O-N 3.1Å; F104-S108 PolarHBondContact O-OG 3.12Å; F104-V117 HydrophobicContact CE1-CG2 4.26Å; F104-V117 HydrophobicContact CZ-CB 4.41Å; F104-V117 HydrophobicContact CZ-CG1 4.2Å; F104-V117 HydrophobicContact CZ-CG2 4.41Å; F104-V166 HydrophobicContact CZ-CB 4.39Å; F104-V166 HydrophobicContact CZ-CG2 3.89Å; F104-G167 VanDerWaalsContact CE1-C 3.44Å; F104-S168 WeakPolarHBondContact CE2-O 3.37Å; F104-A169 HydrophobicContact CB-CB 4.41Å; F104-A169 VanDerWaalsContact CD2-CA 3.48Å; F104-A169 HydrophobicContact CD2-CB 3.82Å; F104-A169 HydrophobicContact CG-CB 4.42Å; F104-L172 HydrophobicContact CE2-CB 4.37Å; F104-L172 HydrophobicContact CE2-CD1 4.49Å |
| 105 | R | 94.9 | Very high | 90 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 168.6 | -172.1 | -169.3 | 68.2 | 72.2 | 4.7 | 111.5 | E101 E102 L103 I107 S108 E109 | E101-R105 WeakPolarHBondContact O-CB 3.48Å; E101-R105 PolarHBondContact O-N 2.81Å; E102-R105 PolarHBondContact O-N 3.13Å; E102-R105 IonicContact OE1-CZ 3.14Å; E102-R105 IonicContact OE1-NE 2.69Å; E102-R105 IonicContact OE1-NH2 3.73Å; E102-R105 PolarHBondContact OE1-NH2 2.87Å; E102-R105 IonicContact OE2-CZ 3.04Å; E102-R105 IonicContact OE2-NE 2.72Å; E102-R105 PolarHBondContact OE2-NE 3.37Å; E102-R105 IonicContact OE2-NH2 2.62Å; E102-R105 PolarHBondContact OE2-NH2 3.18Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.42Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.43Å; R105-S108 PolarHBondContact O-N 3.02Å; R105-S108 PolarHBondContact O-OG 2.99Å; R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact CZ-OE2 3.6Å; R105-E109 IonicContact NH1-OE1 2.87Å; R105-E109 PolarHBondContact NH1-OE1 2.85Å; R105-E109 IonicContact NH1-OE2 2.65Å; R105-E109 PolarHBondContact NH1-OE2 2.87Å; R105-E109 WeakPolarHBondContact O-CG 3.33Å; R105-E109 PolarHBondContact O-N 3.08Å |
| 106 | L | 93.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -33.9 | 179.5 | -69.8 | 170.3 | 0 | 0 | 0 | 112.6 | L49 L53 E102 L103 N110 | L49-L106 HydrophobicContact CB-CD1 4.08Å; L53-L106 HydrophobicContact CD1-CB 3.42Å; L53-L106 VanDerWaalsContact CD1-CB 3.42Å; L53-L106 HydrophobicContact CD1-CD1 3.98Å; L53-L106 HydrophobicContact CD1-CG 4.28Å; E102-L106 HydrophobicContact CG-CD1 4.15Å; E102-L106 WeakPolarHBondContact O-CB 3.23Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 2.8Å; L103-L106 PolarHBondContact O-N 2.83Å; L106-N110 PolarHBondContact O-N 2.94Å; L106-N110 PolarHBondContact O-ND2 3.3Å |
| 107 | I | 92.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 174 | -71.1 | 167.2 | 0 | 0 | 0 | 110.8 | L53 L103 F104 R105 E109 N110 P115 V117 L205 | L53-I107 HydrophobicContact CD2-CG1 3.84Å; L103-I107 HydrophobicContact CD1-CD1 3.97Å; L103-I107 HydrophobicContact CD1-CG1 4.37Å; L103-I107 HydrophobicContact CG-CD1 3.9Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 2.89Å; F104-I107 HydrophobicContact CD1-CD1 4.48Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.43Å; I107-E109 VanDerWaalsContact C-N 3.29Å; I107-E109 PolarHBondContact O-N 2.97Å; I107-N110 CarbonylContact O-C 3.53Å; I107-N110 PolarHBondContact O-N 2.75Å; I107-P115 HydrophobicContact CD1-CG 3.95Å; I107-P115 HydrophobicContact CG1-CG 3.85Å; I107-P115 HydrophobicContact CG2-CG 4.16Å; I107-V117 HydrophobicContact CD1-CG2 3.82Å; I107-L205 HydrophobicContact CD1-CD2 4.45Å |
| 108 | S | 91.9 | Very high | 90 | Very high | 81 Ų | 81 | 54.5 Ų | 54.5 | 57% | 0.566 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -69.2 | -27.8 | -179.5 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | F104 R105 N110 P111 | F104-S108 WeakPolarHBondContact O-CB 3.49Å; F104-S108 PolarHBondContact O-N 3.1Å; F104-S108 PolarHBondContact O-OG 3.12Å; R105-S108 PolarHBondContact O-N 3.02Å; R105-S108 PolarHBondContact O-OG 2.99Å; S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 3.45Å; S108-P111 WeakPolarHBondContact O-CG 3.43Å |
| 109 | E | 90.4 | Very high | 90.1 | Very high | 106 Ų | 106 | 53.7 Ų | 53.7 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.5 | -21.7 | 173 | -75.2 | 175.5 | 174.8 | 0 | 0 | 113.7 | R105 I107 | R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact CZ-OE2 3.6Å; R105-E109 IonicContact NH1-OE1 2.87Å; R105-E109 PolarHBondContact NH1-OE1 2.85Å; R105-E109 IonicContact NH1-OE2 2.65Å; R105-E109 PolarHBondContact NH1-OE2 2.87Å; R105-E109 WeakPolarHBondContact O-CG 3.33Å; R105-E109 PolarHBondContact O-N 3.08Å; I107-E109 VanDerWaalsContact C-N 3.29Å; I107-E109 PolarHBondContact O-N 2.97Å |
| 110 | N | 83.3 | Confident | 90 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | trans | -126.4 | 69.6 | 178.7 | -64.3 | -74.8 | 0 | 0 | 0 | 112.5 | L106 I107 S108 S112 R113 | L106-N110 PolarHBondContact O-N 2.94Å; L106-N110 PolarHBondContact O-ND2 3.3Å; I107-N110 CarbonylContact O-C 3.53Å; I107-N110 PolarHBondContact O-N 2.75Å; S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 3.45Å; N110-S112 PolarHBondContact O-N 3.32Å; N110-S112 VanDerWaalsContact O-N 3.09Å; N110-R113 PolarHBondContact O-N 2.75Å | ||
| 111 | P | 74.2 | Confident | 90 | Very high | 93 Ų | 93 | 53.9 Ų | 53.9 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -61.8 | -23.4 | -176 | -21.4 | 32.5 | 0 | 0 | 0 | 114.1 | S108 R113 S114 | S108-P111 WeakPolarHBondContact O-CG 3.43Å; P111-R113 VanDerWaalsContact C-N 3.26Å; P111-R113 PolarHBondContact O-N 3.4Å; P111-S114 WeakPolarHBondContact O-CB 3.31Å; P111-S114 PolarHBondContact O-N 2.95Å |
| 112 | S | 70.4 | Confident | 89.9 | Confident | 111 Ų | 111 | 50.9 Ų | 50.9 | 78% | 0.776 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.9 | -26.4 | -178 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | N110 | N110-S112 PolarHBondContact O-N 3.32Å; N110-S112 VanDerWaalsContact O-N 3.09Å |
| 113 | R | 73.5 | Confident | 89.8 | Confident | 125 Ų | 125 | 50.1 Ų | 50.1 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -89.9 | -21.7 | 175.4 | -72.2 | -171.1 | 179.5 | 167.9 | 7.6 | 113.5 | L53 D54 N110 P111 | L53-R113 PolarHBondContact O-NH1 3.42Å; D54-R113 IonicContact OD1-NH1 3.55Å; D54-R113 PolarHBondContact OD1-NH1 3.32Å; N110-R113 PolarHBondContact O-N 2.75Å; P111-R113 VanDerWaalsContact C-N 3.26Å; P111-R113 PolarHBondContact O-N 3.4Å |
| 114 | S | 79.8 | Confident | 89.6 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | trans | 15.2 | 68.5 | -174.6 | 65.9 | 0 | 0 | 0 | 0 | 114.8 | P111 | P111-S114 WeakPolarHBondContact O-CB 3.31Å; P111-S114 PolarHBondContact O-N 2.95Å | ||
| 115 | P | 90.3 | Very high | 89.2 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.104 | 27% | 0.269 | C | S | . | . | trans | -63.1 | 139.6 | -177.9 | 24.4 | -33.2 | 0 | 0 | 0 | 110.9 | I107 V117 L205 T206 T207 | I107-P115 HydrophobicContact CD1-CG 3.95Å; I107-P115 HydrophobicContact CG1-CG 3.85Å; I107-P115 HydrophobicContact CG2-CG 4.16Å; P115-V117 PolarHBondContact O-N 3.43Å; P115-L205 HydrophobicContact CB-CB 4.34Å; P115-L205 HydrophobicContact CB-CD2 4.45Å; P115-T206 WeakPolarHBondContact CA-O 3.36Å; P115-T207 HydrophobicContact CB-CG2 3.67Å | ||
| 116 | K | 93.8 | Very high | 88.7 | Confident | 109 Ų | 109 | 49.6 Ų | 49.6 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 124.3 | 162.7 | -176.9 | -174 | 174.6 | -157.3 | 0 | 108 | E118 T206 | K116-E118 HydrophobicContact CD-CG 4.48Å; K116-E118 VanDerWaalsContact CE-CD 3.48Å; K116-E118 WeakPolarHBondContact CE-OE1 3.48Å; K116-E118 HydrophobicContact CG-CG 4.41Å; K116-E118 VanDerWaalsContact NZ-CD 3.25Å; K116-E118 IonicContact NZ-OE1 2.7Å; K116-E118 PolarHBondContact NZ-OE1 3.46Å; K116-E118 IonicContact NZ-OE2 3.08Å; K116-T206 PolarHBondContact N-O 2.94Å; K116-T206 PolarHBondContact O-N 2.88Å |
| 117 | V | 96.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.8 | 179.4 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | F104 I107 P115 A165 V166 V203 T204 L205 | F104-V117 HydrophobicContact CE1-CG2 4.26Å; F104-V117 HydrophobicContact CZ-CB 4.41Å; F104-V117 HydrophobicContact CZ-CG1 4.2Å; F104-V117 HydrophobicContact CZ-CG2 4.41Å; I107-V117 HydrophobicContact CD1-CG2 3.82Å; P115-V117 PolarHBondContact O-N 3.43Å; V117-A165 WeakPolarHBondContact O-CA 3.43Å; V117-V166 HydrophobicContact CB-CG2 3.87Å; V117-V166 HydrophobicContact CG1-CG2 3.51Å; V117-V166 PolarHBondContact O-N 3.17Å; V117-V203 HydrophobicContact CG1-CG1 3.55Å; V117-T204 WeakPolarHBondContact CA-O 3.37Å; V117-L205 HydrophobicContact CB-CD2 4.24Å; V117-L205 HydrophobicContact CG1-CD2 3.98Å; V117-L205 HydrophobicContact CG2-CD2 3.7Å |
| 118 | E | 96.6 | Very high | 88.1 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.1 | 176 | -67.3 | 176.9 | 125.8 | 0 | 0 | 110.2 | K116 E164 A165 V203 T204 | K116-E118 HydrophobicContact CD-CG 4.48Å; K116-E118 VanDerWaalsContact CE-CD 3.48Å; K116-E118 WeakPolarHBondContact CE-OE1 3.48Å; K116-E118 HydrophobicContact CG-CG 4.41Å; K116-E118 VanDerWaalsContact NZ-CD 3.25Å; K116-E118 IonicContact NZ-OE1 2.7Å; K116-E118 PolarHBondContact NZ-OE1 3.46Å; K116-E118 IonicContact NZ-OE2 3.08Å; E118-E164 CarbonylContact C-O 3.51Å; E118-E164 WeakPolarHBondContact CA-O 3.12Å; E118-A165 HydrophobicContact CG-CB 4.46Å; E118-V203 CarbonylContact O-C 3.6Å; E118-V203 WeakPolarHBondContact O-CA 3.46Å; E118-T204 PolarHBondContact N-O 3.1Å; E118-T204 PolarHBondContact O-N 3.4Å |
| 119 | V | 96.8 | Very high | 88 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.5 | -178.4 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | I121 L133 S163 E164 V166 L172 L175 I201 T202 V203 | V119-I121 HydrophobicContact CG1-CD1 4.48Å; V119-I121 HydrophobicContact CG1-CG1 4Å; V119-L133 VanDerWaalsContact O-CD1 3.27Å; V119-L133 WeakPolarHBondContact O-CD1 3.4Å; V119-S163 CarbonylContact O-C 3.56Å; V119-S163 VanDerWaalsContact O-CA 3.31Å; V119-S163 WeakPolarHBondContact O-CA 3.01Å; V119-E164 PolarHBondContact N-O 3.21Å; V119-E164 PolarHBondContact O-N 3.14Å; V119-V166 HydrophobicContact CG2-CB 4.37Å; V119-V166 HydrophobicContact CG2-CG1 3.84Å; V119-V166 HydrophobicContact CG2-CG2 3.54Å; V119-L172 HydrophobicContact CG2-CD1 3.36Å; V119-L172 HydrophobicContact CG2-CG 4.08Å; V119-L175 HydrophobicContact CB-CD1 4.34Å; V119-I201 HydrophobicContact CG1-CG2 4.19Å; V119-T202 WeakPolarHBondContact CA-O 3.32Å; V119-V203 HydrophobicContact CG2-CG2 4.48Å |
| 120 | S | 95.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.2 | 162.7 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | A162 T202 | S120-A162 WeakPolarHBondContact CB-O 3.36Å; S120-T202 PolarHBondContact N-O 2.95Å; S120-T202 PolarHBondContact O-N 3.42Å |
| 121 | I | 94.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122 | 180 | -51.6 | -175.4 | 0 | 0 | 0 | 108.4 | V119 L132 L133 L175 V176 L199 I201 | V119-I121 HydrophobicContact CG1-CD1 4.48Å; V119-I121 HydrophobicContact CG1-CG1 4Å; I121-L132 HydrophobicContact CB-CB 4.27Å; I121-L132 HydrophobicContact CG2-CB 4.16Å; I121-L132 HydrophobicContact CG2-CD1 3.83Å; I121-L132 HydrophobicContact CG2-CG 4.37Å; I121-L132 PolarHBondContact O-N 3.12Å; I121-L133 HydrophobicContact CB-CD2 4.32Å; I121-L133 HydrophobicContact CB-CG 4.13Å; I121-L133 HydrophobicContact CD1-CD2 3.96Å; I121-L133 HydrophobicContact CG1-CD1 4.15Å; I121-L133 HydrophobicContact CG1-CD2 4.11Å; I121-L133 HydrophobicContact CG1-CG 4.12Å; I121-L175 HydrophobicContact CD1-CB 4.2Å; I121-L175 WeakPolarHBondContact CD1-O 3.42Å; I121-V176 HydrophobicContact CD1-CB 4.43Å; I121-V176 HydrophobicContact CD1-CG2 3.99Å; I121-L199 HydrophobicContact CG2-CD1 3.68Å; I121-I201 HydrophobicContact CG1-CG1 4.26Å; I121-I201 HydrophobicContact CG1-CG2 4.46Å; I121-I201 HydrophobicContact CG2-CG1 4.06Å |
| 122 | V | 93.3 | Very high | 89 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.2 | -176.3 | 169.7 | 0 | 0 | 0 | 0 | 110 | V124 I129 F130 L161 I200 L322 | V122-V124 HydrophobicContact CG1-CG2 4.22Å; V122-I129 HydrophobicContact CG1-CG1 4.42Å; V122-I129 HydrophobicContact CG1-CG2 3.73Å; V122-F130 WeakPolarHBondContact CA-O 3.46Å; V122-L161 HydrophobicContact CG2-CD1 3.52Å; V122-L161 HydrophobicContact CG2-CD2 4.24Å; V122-I200 PolarHBondContact N-O 3.29Å; V122-I200 PolarHBondContact O-N 2.81Å; V122-L322 HydrophobicContact CB-CD2 4.41Å; V122-L322 HydrophobicContact CG1-CD2 3.84Å |
| 123 | E | 92.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.6 | 163 | 172.2 | 172.4 | -156.3 | 0 | 0 | 109.7 | I129 F130 L132 S197 H198 | E123-I129 WeakPolarHBondContact O-CA 3.28Å; E123-F130 HydrophobicContact CB-CB 4.28Å; E123-F130 PolarHBondContact N-O 2.91Å; E123-F130 PolarHBondContact O-N 3.23Å; E123-L132 HydrophobicContact CB-CD1 3.98Å; E123-L132 HydrophobicContact CB-CD2 3.96Å; E123-L132 HydrophobicContact CB-CG 4.14Å; E123-S197 WeakPolarHBondContact OE1-CB 3.42Å; E123-S197 PolarHBondContact OE1-OG 3.36Å; E123-H198 CarbonylContact C-O 3.59Å; E123-H198 WeakPolarHBondContact CA-O 3.4Å |
| 124 | V | 91.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 107.1 | 167.6 | -171.4 | 0 | 0 | 0 | 0 | 108 | V122 D128 I129 H198 I200 R318 L319 L322 | V122-V124 HydrophobicContact CG1-CG2 4.22Å; V124-D128 WeakPolarHBondContact CA-O 3.37Å; V124-I129 HydrophobicContact CG2-CG1 4.05Å; V124-H198 HydrophobicContact CB-CB 4.16Å; V124-H198 PolarHBondContact N-O 3.35Å; V124-H198 PolarHBondContact O-CD2 2.92Å; V124-H198 PolarHBondContact O-N 2.93Å; V124-I200 HydrophobicContact CG2-CD1 3.94Å; V124-R318 HydrophobicContact CG1-CB 4.46Å; V124-L319 HydrophobicContact CG1-CB 4.42Å; V124-L322 HydrophobicContact CG2-CD2 4.26Å |
| 125 | Y | 87.8 | Confident | 90.1 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.1 | -179.6 | 174.7 | -111.6 | 0 | 0 | 0 | 109.8 | N127 D128 F130 T188 R196 E287 | Y125-N127 PolarHBondContact O-N 3.25Å; Y125-N127 VanDerWaalsContact O-N 3.13Å; Y125-D128 PolarHBondContact N-O 3.4Å; Y125-D128 WeakPolarHBondContact O-CA 3.42Å; Y125-D128 WeakPolarHBondContact O-CB 3.32Å; Y125-D128 PolarHBondContact O-N 3.42Å; Y125-F130 HydrophobicContact CD1-CE2 4.25Å; Y125-T188 HydrophobicContact CE2-CG2 3.82Å; Y125-T188 WeakPolarHBondContact OH-CG2 3.33Å; Y125-R196 WeakPolarHBondContact CD2-O 3.37Å; Y125-E287 HydrophobicContact CE2-CG 3.84Å; Y125-E287 WeakPolarHBondContact CE2-OE1 3.5Å; Y125-E287 PolarHBondContact OH-OE1 3.28Å; Y125-E287 PolarHBondContact OH-OE2 3.09Å |
| 126 | N | 84.5 | Confident | 88.9 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 43% | 0.428 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38 | -177.9 | -166.1 | 33 | 0 | 0 | 0 | 114.4 | D128 C290 | N126-D128 PolarHBondContact O-N 3.13Å; N126-D128 VanDerWaalsContact O-N 3.17Å; N126-C290 VanDerWaalsContact CA-SG 3.52Å; N126-C290 WeakPolarHBondContact OD1-CB 3.43Å; N126-C290 PolarHBondContact OD1-SG 3.11Å |
| 127 | N | 86.6 | Confident | 86.9 | Confident | 62 Ų | 62 | 35 Ų | 35 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 13.1 | -176.1 | -163.6 | 59.9 | 0 | 0 | 0 | 114.8 | Y125 S317 R318 | Y125-N127 PolarHBondContact O-N 3.25Å; Y125-N127 VanDerWaalsContact O-N 3.13Å; N127-S317 WeakPolarHBondContact OD1-CA 3.15Å; N127-R318 WeakPolarHBondContact O-CG 3.36Å; N127-R318 PolarHBondContact OD1-N 3.03Å |
| 128 | D | 87.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 153.6 | 166.2 | -73.3 | -36.4 | 0 | 0 | 0 | 109.9 | V124 Y125 N126 F130 K145 | V124-D128 WeakPolarHBondContact CA-O 3.37Å; Y125-D128 PolarHBondContact N-O 3.4Å; Y125-D128 WeakPolarHBondContact O-CA 3.42Å; Y125-D128 WeakPolarHBondContact O-CB 3.32Å; Y125-D128 PolarHBondContact O-N 3.42Å; N126-D128 PolarHBondContact O-N 3.13Å; N126-D128 VanDerWaalsContact O-N 3.17Å; D128-F130 HydrophobicContact CB-CD2 4.49Å; D128-F130 HydrophobicContact CB-CE2 3.66Å; D128-F130 HydrophobicContact CB-CZ 3.93Å; D128-K145 HydrophobicContact CB-CD 4.5Å; D128-K145 WeakPolarHBondContact OD1-CE 3.11Å; D128-K145 IonicContact OD1-NZ 3.79Å; D128-K145 PolarHBondContact OD1-NZ 2.7Å; D128-K145 IonicContact OD2-NZ 2.76Å; D128-K145 PolarHBondContact OD2-NZ 3.26Å |
| 129 | I | 88.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.1 | 178.5 | -80.2 | 162.9 | 0 | 0 | 0 | 108.8 | V122 E123 V124 K145 R146 V148 V158 R318 L322 | V122-I129 HydrophobicContact CG1-CG1 4.42Å; V122-I129 HydrophobicContact CG1-CG2 3.73Å; E123-I129 WeakPolarHBondContact O-CA 3.28Å; V124-I129 HydrophobicContact CG2-CG1 4.05Å; I129-K145 CarbonylContact O-C 3.59Å; I129-K145 VanDerWaalsContact O-CA 3.27Å; I129-K145 WeakPolarHBondContact O-CA 3.39Å; I129-R146 HydrophobicContact CG2-CB 4.04Å; I129-R146 PolarHBondContact O-N 2.81Å; I129-V148 HydrophobicContact CD1-CB 4.42Å; I129-V148 HydrophobicContact CD1-CG2 2.96Å; I129-V148 HydrophobicContact CG1-CG2 4.42Å; I129-V158 HydrophobicContact CG2-CG1 4.18Å; I129-R318 HydrophobicContact CD1-CB 3.78Å; I129-R318 HydrophobicContact CD1-CG 4.35Å; I129-R318 HydrophobicContact CG1-CB 4.18Å; I129-L322 HydrophobicContact CD1-CD2 4.46Å |
| 130 | F | 89.2 | Confident | 80.6 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.8 | 177.7 | -60.5 | -88.7 | 0 | 0 | 0 | 109.1 | V122 E123 Y125 D128 L132 V144 K145 H186 | V122-F130 WeakPolarHBondContact CA-O 3.46Å; E123-F130 HydrophobicContact CB-CB 4.28Å; E123-F130 PolarHBondContact N-O 2.91Å; E123-F130 PolarHBondContact O-N 3.23Å; Y125-F130 HydrophobicContact CD1-CE2 4.25Å; D128-F130 HydrophobicContact CB-CD2 4.49Å; D128-F130 HydrophobicContact CB-CE2 3.66Å; D128-F130 HydrophobicContact CB-CZ 3.93Å; F130-L132 HydrophobicContact CB-CD2 4.32Å; F130-V144 WeakPolarHBondContact CA-O 3.49Å; F130-K145 HydrophobicContact CD1-CB 4.39Å; F130-K145 HydrophobicContact CE1-CB 4.26Å; F130-H186 AromaticContact CD1-CE1 3.77Å; F130-H186 AromaticContact CE1-CE1 3.53Å; F130-H186 AromaticContact CZ-CE1 3.8Å; F130-H186 AromaticContact CZ-NE2 3.93Å |
| 131 | D | 90.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.9 | 172.2 | 179.4 | -11.4 | 0 | 0 | 0 | 108.8 | L133 A134 G143 V144 R146 L161 A162 | D131-L133 PolarHBondContact OD1-N 3.49Å; D131-A134 HydrophobicContact CB-CB 4.13Å; D131-A134 PolarHBondContact OD1-N 3.18Å; D131-A134 VanDerWaalsContact OD1-N 3.07Å; D131-G143 CarbonylContact O-C 3.4Å; D131-G143 VanDerWaalsContact O-CA 3.27Å; D131-G143 WeakPolarHBondContact O-CA 3.4Å; D131-V144 HydrophobicContact CB-CB 4.43Å; D131-V144 WeakPolarHBondContact CB-O 3.48Å; D131-V144 PolarHBondContact N-O 2.88Å; D131-V144 PolarHBondContact O-N 3Å; D131-R146 HydrophobicContact CB-CG 3.74Å; D131-R146 IonicContact OD2-CZ 3.25Å; D131-R146 IonicContact OD2-NE 3.64Å; D131-R146 PolarHBondContact OD2-NE 3.15Å; D131-R146 IonicContact OD2-NH2 2.76Å; D131-R146 PolarHBondContact OD2-NH2 2.81Å; D131-L161 HydrophobicContact CB-CD1 4.13Å; D131-A162 WeakPolarHBondContact OD2-CB 3.22Å; D131-A162 PolarHBondContact OD2-N 3.46Å |
| 132 | L | 90.3 | Very high | 76.7 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89 | -2.3 | -175.4 | -53.9 | -173.4 | 0 | 0 | 0 | 113.1 | I121 E123 F130 G179 L182 R183 L199 | I121-L132 HydrophobicContact CB-CB 4.27Å; I121-L132 HydrophobicContact CG2-CB 4.16Å; I121-L132 HydrophobicContact CG2-CD1 3.83Å; I121-L132 HydrophobicContact CG2-CG 4.37Å; I121-L132 PolarHBondContact O-N 3.12Å; E123-L132 HydrophobicContact CB-CD1 3.98Å; E123-L132 HydrophobicContact CB-CD2 3.96Å; E123-L132 HydrophobicContact CB-CG 4.14Å; F130-L132 HydrophobicContact CB-CD2 4.32Å; L132-G179 WeakPolarHBondContact CD1-O 3.36Å; L132-L182 HydrophobicContact CD2-CB 4.35Å; L132-L182 WeakPolarHBondContact O-CD1 3.4Å; L132-R183 HydrophobicContact CD1-CB 4.48Å; L132-L199 HydrophobicContact CD1-CD1 3.97Å |
| 133 | L | 89.2 | Confident | 75.2 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -108.7 | -10.3 | 176.5 | -60.1 | -170.7 | 0 | 0 | 0 | 113.1 | V119 I121 D131 K135 A162 E164 L175 | V119-L133 VanDerWaalsContact O-CD1 3.27Å; V119-L133 WeakPolarHBondContact O-CD1 3.4Å; I121-L133 HydrophobicContact CB-CD2 4.32Å; I121-L133 HydrophobicContact CB-CG 4.13Å; I121-L133 HydrophobicContact CD1-CD2 3.96Å; I121-L133 HydrophobicContact CG1-CD1 4.15Å; I121-L133 HydrophobicContact CG1-CD2 4.11Å; I121-L133 HydrophobicContact CG1-CG 4.12Å; D131-L133 PolarHBondContact OD1-N 3.49Å; L133-K135 PolarHBondContact O-N 3.48Å; L133-A162 HydrophobicContact CB-CB 4.07Å; L133-E164 HydrophobicContact CD1-CB 4.41Å; L133-E164 HydrophobicContact CD1-CG 4.24Å; L133-L175 HydrophobicContact CD1-CD1 4.47Å; L133-L175 HydrophobicContact CD2-CB 4.13Å; L133-L175 HydrophobicContact CD2-CD2 4.2Å |
| 134 | A | 84.5 | Confident | 74.3 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | trans | -63.6 | 128.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D131 D136 V144 A162 | D131-A134 HydrophobicContact CB-CB 4.13Å; D131-A134 PolarHBondContact OD1-N 3.18Å; D131-A134 VanDerWaalsContact OD1-N 3.07Å; A134-D136 PolarHBondContact O-N 2.83Å; A134-V144 HydrophobicContact CB-CB 3.68Å; A134-V144 HydrophobicContact CB-CG2 3.37Å; A134-A162 HydrophobicContact CB-CB 4.36Å | ||
| 135 | K | 72.9 | Confident | 73.7 | Confident | 165 Ų | 165 | 57.5 Ų | 57.5 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | trans | -97.3 | 33.2 | -178.3 | -63.2 | 176.9 | -178.3 | 158.3 | 0 | 113.1 | L133 T137 E164 | L133-K135 PolarHBondContact O-N 3.48Å; K135-T137 PolarHBondContact O-N 3.39Å; K135-E164 WeakPolarHBondContact CE-OE1 3.28Å; K135-E164 IonicContact NZ-OE1 3.54Å; K135-E164 PolarHBondContact NZ-OE1 3.07Å; K135-E164 IonicContact NZ-OE2 3.87Å | ||
| 136 | D | 64.2 | Low | 73.4 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | trans | -69.2 | 122 | 176.9 | -89.3 | -35.9 | 0 | 0 | 0 | 110.1 | A134 V138 A139 A140 V144 | A134-D136 PolarHBondContact O-N 2.83Å; D136-V138 PolarHBondContact O-N 3.28Å; D136-A139 PolarHBondContact O-N 3.37Å; D136-A139 VanDerWaalsContact O-N 3.09Å; D136-A140 PolarHBondContact O-N 2.92Å; D136-V144 HydrophobicContact CB-CG2 3.92Å | ||
| 137 | T | 52 | Low | 73 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 85% | 0.853 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -8.7 | -173.3 | 31.6 | 0 | 0 | 0 | 0 | 114.8 | K135 | K135-T137 PolarHBondContact O-N 3.39Š|
| 138 | V | 53.4 | Low | 72.4 | Confident | 144 Ų | 144 | 56.9 Ų | 56.9 | 87% | 0.873 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -19.5 | -179.5 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | D136 | D136-V138 PolarHBondContact O-N 3.28Š|
| 139 | A | 51.6 | Low | 71.4 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 11.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D136 V141 S142 V144 | D136-A139 PolarHBondContact O-N 3.37Å; D136-A139 VanDerWaalsContact O-N 3.09Å; A139-V141 PolarHBondContact O-N 3.44Å; A139-S142 PolarHBondContact O-N 3.29Å; A139-V144 HydrophobicContact CB-CG2 3.9Å |
| 140 | A | 53.1 | Low | 70.5 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -6.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D136 L182 | D136-A140 PolarHBondContact O-N 2.92Å; A140-L182 WeakPolarHBondContact O-CD2 3.4Å |
| 141 | V | 53.8 | Low | 69.2 | Low | 114 Ų | 114 | 61.2 Ų | 61.2 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -21.1 | -176.5 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | A139 | A139-V141 PolarHBondContact O-N 3.44Š|
| 142 | S | 55.1 | Low | 67.3 | Low | 37 Ų | 37 | 71.9 Ų | 71.9 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.2 | 16 | -174.5 | 92.3 | 0 | 0 | 0 | 0 | 116.4 | A139 H186 | A139-S142 PolarHBondContact O-N 3.29Å; S142-H186 WeakPolarHBondContact CB-ND1 3.24Å; S142-H186 PolarHBondContact O-CE1 2.85Å; S142-H186 VanDerWaalsContact O-CE1 3.3Å; S142-H186 PolarHBondContact O-ND1 2.93Å; S142-H186 VanDerWaalsContact O-ND1 3.13Å; S142-H186 PolarHBondContact OG-CE1 2.95Å |
| 143 | G | 61.1 | Low | 65.8 | Low | 6 Ų | 6 | 75.9 Ų | 75.9 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | trans | 76.1 | 156.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D131 | D131-G143 CarbonylContact O-C 3.4Å; D131-G143 VanDerWaalsContact O-CA 3.27Å; D131-G143 WeakPolarHBondContact O-CA 3.4Å | ||
| 144 | V | 73.4 | Confident | 64.4 | Low | 15 Ų | 15 | 77.1 Ų | 77.1 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.8 | -176.2 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | F130 D131 A134 D136 A139 R146 | F130-V144 WeakPolarHBondContact CA-O 3.49Å; D131-V144 HydrophobicContact CB-CB 4.43Å; D131-V144 WeakPolarHBondContact CB-O 3.48Å; D131-V144 PolarHBondContact N-O 2.88Å; D131-V144 PolarHBondContact O-N 3Å; A134-V144 HydrophobicContact CB-CB 3.68Å; A134-V144 HydrophobicContact CB-CG2 3.37Å; D136-V144 HydrophobicContact CB-CG2 3.92Å; A139-V144 HydrophobicContact CB-CG2 3.9Å; V144-R146 PolarHBondContact O-N 2.97Å |
| 145 | K | 79.2 | Confident | 63.4 | Low | 121 Ų | 121 | 79.7 Ų | 79.7 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 127.4 | 175.5 | -175.9 | 170.6 | 176.2 | 163.2 | 0 | 110.7 | D128 I129 F130 | D128-K145 HydrophobicContact CB-CD 4.5Å; D128-K145 WeakPolarHBondContact OD1-CE 3.11Å; D128-K145 IonicContact OD1-NZ 3.79Å; D128-K145 PolarHBondContact OD1-NZ 2.7Å; D128-K145 IonicContact OD2-NZ 2.76Å; D128-K145 PolarHBondContact OD2-NZ 3.26Å; I129-K145 CarbonylContact O-C 3.59Å; I129-K145 VanDerWaalsContact O-CA 3.27Å; I129-K145 WeakPolarHBondContact O-CA 3.39Å; F130-K145 HydrophobicContact CD1-CB 4.39Å; F130-K145 HydrophobicContact CE1-CB 4.26Å |
| 146 | R | 81.2 | Confident | 63 | Low | 47 Ų | 47 | 72.3 Ų | 72.3 | 18% | 0.177 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 157.9 | 178.4 | -57.8 | -60.3 | -168.8 | -172.2 | -1.9 | 112 | I129 D131 V144 V158 A159 L160 | I129-R146 HydrophobicContact CG2-CB 4.04Å; I129-R146 PolarHBondContact O-N 2.81Å; D131-R146 HydrophobicContact CB-CG 3.74Å; D131-R146 IonicContact OD2-CZ 3.25Å; D131-R146 IonicContact OD2-NE 3.64Å; D131-R146 PolarHBondContact OD2-NE 3.15Å; D131-R146 IonicContact OD2-NH2 2.76Å; D131-R146 PolarHBondContact OD2-NH2 2.81Å; V144-R146 PolarHBondContact O-N 2.97Å; R146-V158 HydrophobicContact CB-CG1 3.49Å; R146-V158 VanDerWaalsContact CB-CG1 3.49Å; R146-V158 HydrophobicContact CG-CG1 4.08Å; R146-A159 WeakPolarHBondContact CD-O 3.37Å; R146-L160 PolarHBondContact NE-O 2.83Å; R146-L160 PolarHBondContact NH2-O 3.01Å |
| 147 | E | 75.6 | Confident | 63.4 | Low | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | trans | -103.5 | 139 | 173 | -171.6 | 170.7 | -158.3 | 0 | 0 | 110.8 | M149 A159 R318 | E147-M149 HydrophobicContact CB-CE 4.45Å; E147-M149 HydrophobicContact CG-CE 4.44Å; E147-M149 WeakPolarHBondContact OE2-CE 3.3Å; E147-A159 PolarHBondContact O-N 2.8Å; E147-R318 IonicContact OE1-NH2 2.71Å | ||
| 148 | V | 73.3 | Confident | 64.4 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.5 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 109 | I129 T156 V158 R318 H321 | I129-V148 HydrophobicContact CD1-CB 4.42Å; I129-V148 HydrophobicContact CD1-CG2 2.96Å; I129-V148 HydrophobicContact CG1-CG2 4.42Å; V148-T156 HydrophobicContact CG1-CG2 3.22Å; V148-V158 HydrophobicContact CG2-CG2 4.04Å; V148-R318 PolarHBondContact O-NH1 2.95Å; V148-H321 HydrophobicContact CG1-CB 4.42Å; V148-H321 WeakPolarHBondContact CG1-CE1 3.2Å; V148-H321 VanDerWaalsContact CG1-ND1 3.31Å; V148-H321 WeakPolarHBondContact CG1-ND1 3.5Å |
| 149 | M | 67 | Low | 64.9 | Low | 92 Ų | 92 | 61.1 Ų | 61.1 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 155.3 | 175.5 | -60.8 | -173.4 | 178.1 | 0 | 0 | 109.8 | E147 E157 A159 | E147-M149 HydrophobicContact CB-CE 4.45Å; E147-M149 HydrophobicContact CG-CE 4.44Å; E147-M149 WeakPolarHBondContact OE2-CE 3.3Å; M149-E157 CarbonylContact C-O 3.51Å; M149-E157 PolarHBondContact N-O 2.91Å; M149-E157 PolarHBondContact O-N 2.85Å; M149-A159 HydrophobicContact CE-CB 4.05Å; M149-A159 HydrophobicContact CG-CB 4.3Å; M149-A159 HydrophobicContact SD-CB 3.89Å |
| 150 | T | 69.1 | Low | 65.9 | Low | 55 Ų | 55 | 66.2 Ų | 66.2 | 34% | 0.337 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.3 | 168 | -48.7 | 0 | 0 | 0 | 0 | 107 | R155 R315 H321 | T150-R155 CarbonylContact C-O 3.58Å; T150-R155 WeakPolarHBondContact CA-O 3.45Å; T150-R315 PolarHBondContact OG1-NH2 3.44Å; T150-R315 VanDerWaalsContact OG1-NH2 3.13Å; T150-H321 PolarHBondContact OG1-NE2 2.84Å |
| 151 | A | 61.8 | Low | 67.3 | Low | 18 Ų | 18 | 65.1 Ų | 65.1 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | trans | -63.1 | 163.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D153 G154 R155 E157 | A151-D153 WeakPolarHBondContact CB-OD1 3.28Å; A151-D153 PolarHBondContact O-N 2.81Å; A151-G154 PolarHBondContact O-N 3.02Å; A151-R155 HydrophobicContact CB-CB 4.33Å; A151-R155 PolarHBondContact N-O 3.41Å; A151-E157 HydrophobicContact CB-CG 4.03Å | ||
| 152 | K | 52.3 | Low | 68.9 | Low | 223 Ų | 223 | 60.9 Ų | 60.9 | 97% | 0.97 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.8 | -176 | -67.2 | -177.2 | 179.7 | 177.9 | 0 | 113.9 | ||
| 153 | D | 58.7 | Low | 70.5 | Confident | 90 Ų | 90 | 62.1 Ų | 62.1 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.6 | 177.4 | 53.4 | 24.8 | 0 | 0 | 0 | 113.4 | A151 R155 | A151-D153 WeakPolarHBondContact CB-OD1 3.28Å; A151-D153 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact C-N 3.29Å; D153-R155 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact OD1-CB 3.24Å; D153-R155 WeakPolarHBondContact OD1-CB 3.27Å; D153-R155 VanDerWaalsContact OD1-CG 3.25Å; D153-R155 WeakPolarHBondContact OD1-CG 3.36Å; D153-R155 PolarHBondContact OD1-N 3.43Å; D153-R155 VanDerWaalsContact OD1-N 3.09Å; D153-R155 IonicContact OD1-NE 3.39Å; D153-R155 PolarHBondContact OD1-NE 3.2Å; D153-R155 VanDerWaalsContact OD1-NE 3.14Å; D153-R155 IonicContact OD2-CZ 3.8Å; D153-R155 IonicContact OD2-NE 3.26Å; D153-R155 PolarHBondContact OD2-NE 2.78Å; D153-R155 IonicContact OD2-NH2 2.61Å; D153-R155 PolarHBondContact OD2-NH2 2.85Å |
| 154 | G | 58.8 | Low | 72.1 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 83.3 | -1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A151 | A151-G154 PolarHBondContact O-N 3.02Š|
| 155 | R | 63.5 | Low | 73.1 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | trans | -73.4 | 151.1 | 176.9 | -64.8 | -175.6 | -72.6 | 165 | 1.3 | 111.6 | T150 A151 D153 | T150-R155 CarbonylContact C-O 3.58Å; T150-R155 WeakPolarHBondContact CA-O 3.45Å; A151-R155 HydrophobicContact CB-CB 4.33Å; A151-R155 PolarHBondContact N-O 3.41Å; D153-R155 VanDerWaalsContact C-N 3.29Å; D153-R155 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact OD1-CB 3.24Å; D153-R155 WeakPolarHBondContact OD1-CB 3.27Å; D153-R155 VanDerWaalsContact OD1-CG 3.25Å; D153-R155 WeakPolarHBondContact OD1-CG 3.36Å; D153-R155 PolarHBondContact OD1-N 3.43Å; D153-R155 VanDerWaalsContact OD1-N 3.09Å; D153-R155 IonicContact OD1-NE 3.39Å; D153-R155 PolarHBondContact OD1-NE 3.2Å; D153-R155 VanDerWaalsContact OD1-NE 3.14Å; D153-R155 IonicContact OD2-CZ 3.8Å; D153-R155 IonicContact OD2-NE 3.26Å; D153-R155 PolarHBondContact OD2-NE 2.78Å; D153-R155 IonicContact OD2-NH2 2.61Å; D153-R155 PolarHBondContact OD2-NH2 2.85Å | ||
| 156 | T | 66.1 | Low | 73.9 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.9 | 171.5 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | V148 H321 | V148-T156 HydrophobicContact CG1-CG2 3.22Å; T156-H321 WeakPolarHBondContact CG2-O 3.43Å; T156-H321 PolarHBondContact OG1-CD2 2.8Å; T156-H321 VanDerWaalsContact OG1-CD2 3.27Å; T156-H321 PolarHBondContact OG1-O 2.94Å |
| 157 | E | 70.9 | Confident | 74.5 | Confident | 86 Ų | 86 | 62 Ų | 62 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.4 | 174.1 | -71.9 | -173.9 | 167.8 | 0 | 0 | 109.4 | M149 A151 | M149-E157 CarbonylContact C-O 3.51Å; M149-E157 PolarHBondContact N-O 2.91Å; M149-E157 PolarHBondContact O-N 2.85Å; A151-E157 HydrophobicContact CB-CG 4.03Å |
| 158 | V | 73.5 | Confident | 75.4 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.2 | 169.5 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | I129 R146 V148 L160 L161 L322 | I129-V158 HydrophobicContact CG2-CG1 4.18Å; R146-V158 HydrophobicContact CB-CG1 3.49Å; R146-V158 VanDerWaalsContact CB-CG1 3.49Å; R146-V158 HydrophobicContact CG-CG1 4.08Å; V148-V158 HydrophobicContact CG2-CG2 4.04Å; V158-L160 PolarHBondContact O-N 2.75Å; V158-L161 HydrophobicContact CB-CB 3.98Å; V158-L161 HydrophobicContact CB-CD2 4.21Å; V158-L161 HydrophobicContact CG1-CB 4.07Å; V158-L161 HydrophobicContact CG1-CD1 4.39Å; V158-L161 PolarHBondContact O-N 2.78Å; V158-L322 HydrophobicContact CG2-CD1 3.53Å |
| 159 | A | 65.1 | Low | 76.4 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 129.8 | -177 | 0 | 0 | 0 | 0 | 0 | 110.1 | R146 E147 M149 L161 | R146-A159 WeakPolarHBondContact CD-O 3.37Å; E147-A159 PolarHBondContact O-N 2.8Å; M149-A159 HydrophobicContact CE-CB 4.05Å; M149-A159 HydrophobicContact CG-CB 4.3Å; M149-A159 HydrophobicContact SD-CB 3.89Å; A159-L161 PolarHBondContact O-N 2.79Å |
| 160 | L | 71 | Confident | 77.6 | Confident | 142 Ų | 142 | 58.4 Ų | 58.4 | 74% | 0.743 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 27.7 | 176.6 | -52.6 | 173.6 | 0 | 0 | 0 | 114.5 | R146 V158 A162 | R146-L160 PolarHBondContact NE-O 2.83Å; R146-L160 PolarHBondContact NH2-O 3.01Å; V158-L160 PolarHBondContact O-N 2.75Å; L160-A162 PolarHBondContact O-N 3.19Å |
| 161 | L | 83.4 | Confident | 78.8 | Confident | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | trans | -63.2 | 120.5 | 175.5 | -177.3 | 63.1 | 0 | 0 | 0 | 110.6 | V122 D131 V158 A159 S163 | V122-L161 HydrophobicContact CG2-CD1 3.52Å; V122-L161 HydrophobicContact CG2-CD2 4.24Å; D131-L161 HydrophobicContact CB-CD1 4.13Å; V158-L161 HydrophobicContact CB-CB 3.98Å; V158-L161 HydrophobicContact CB-CD2 4.21Å; V158-L161 HydrophobicContact CG1-CB 4.07Å; V158-L161 HydrophobicContact CG1-CD1 4.39Å; V158-L161 PolarHBondContact O-N 2.78Å; A159-L161 PolarHBondContact O-N 2.79Å; L161-S163 PolarHBondContact O-N 2.9Å | ||
| 162 | A | 86.4 | Confident | 80.4 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 21% | 0.207 | 35% | 0.348 | C | S | . | . | trans | -63.2 | 131.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S120 D131 L133 A134 L160 | S120-A162 WeakPolarHBondContact CB-O 3.36Å; D131-A162 WeakPolarHBondContact OD2-CB 3.22Å; D131-A162 PolarHBondContact OD2-N 3.46Å; L133-A162 HydrophobicContact CB-CB 4.07Å; A134-A162 HydrophobicContact CB-CB 4.36Å; L160-A162 PolarHBondContact O-N 3.19Å | ||
| 163 | S | 90.1 | Very high | 82.4 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | trans | -127 | 127.7 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 108.2 | V119 L161 | V119-S163 CarbonylContact O-C 3.56Å; V119-S163 VanDerWaalsContact O-CA 3.31Å; V119-S163 WeakPolarHBondContact O-CA 3.01Å; L161-S163 PolarHBondContact O-N 2.9Å | ||
| 164 | E | 93.5 | Very high | 84 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.5 | 178.7 | -68.3 | -150.5 | -176.1 | 0 | 0 | 110.9 | E118 V119 L133 K135 L175 | E118-E164 CarbonylContact C-O 3.51Å; E118-E164 WeakPolarHBondContact CA-O 3.12Å; V119-E164 PolarHBondContact N-O 3.21Å; V119-E164 PolarHBondContact O-N 3.14Å; L133-E164 HydrophobicContact CD1-CB 4.41Å; L133-E164 HydrophobicContact CD1-CG 4.24Å; K135-E164 WeakPolarHBondContact CE-OE1 3.28Å; K135-E164 IonicContact NZ-OE1 3.54Å; K135-E164 PolarHBondContact NZ-OE1 3.07Å; K135-E164 IonicContact NZ-OE2 3.87Å; E164-L175 HydrophobicContact CB-CD1 3.8Å; E164-L175 WeakPolarHBondContact OE2-CD2 3.31Å |
| 165 | A | 95.1 | Very high | 85.6 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 55% | 0.554 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 133.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V117 E118 | V117-A165 WeakPolarHBondContact O-CA 3.43Å; E118-A165 HydrophobicContact CG-CB 4.46Å |
| 166 | V | 95.8 | Very high | 87 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | trans | -125.9 | 136.6 | -177.4 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | F104 V117 V119 K171 L172 L175 | F104-V166 HydrophobicContact CZ-CB 4.39Å; F104-V166 HydrophobicContact CZ-CG2 3.89Å; V117-V166 HydrophobicContact CB-CG2 3.87Å; V117-V166 HydrophobicContact CG1-CG2 3.51Å; V117-V166 PolarHBondContact O-N 3.17Å; V119-V166 HydrophobicContact CG2-CB 4.37Å; V119-V166 HydrophobicContact CG2-CG1 3.84Å; V119-V166 HydrophobicContact CG2-CG2 3.54Å; V166-K171 HydrophobicContact CB-CG 4.47Å; V166-K171 HydrophobicContact CG1-CG 4.05Å; V166-L172 HydrophobicContact CG2-CD1 4.36Å; V166-L175 HydrophobicContact CG1-CD1 3.63Å | ||
| 167 | G | 93.6 | Very high | 88.1 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 74% | 0.742 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -106.8 | -5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F104 | F104-G167 VanDerWaalsContact CE1-C 3.44Š|
| 168 | S | 94.4 | Very high | 88.9 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -155.4 | 159.1 | -177.3 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | F104 S170 K171 L172 | F104-S168 WeakPolarHBondContact CE2-O 3.37Å; S168-S170 VanDerWaalsContact C-N 3.28Å; S168-S170 PolarHBondContact O-N 3.47Å; S168-K171 PolarHBondContact O-N 2.8Å; S168-K171 PolarHBondContact OG-N 2.65Å; S168-L172 PolarHBondContact O-N 3.39Å; S168-L172 VanDerWaalsContact O-N 3.13Å |
| 169 | A | 93.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 E101 F104 K171 L172 M173 | A100-A169 HydrophobicContact CB-CB 4.08Å; E101-A169 HydrophobicContact CB-CB 4.49Å; E101-A169 HydrophobicContact CG-CB 4.03Å; E101-A169 WeakPolarHBondContact OE1-CB 3.42Å; F104-A169 HydrophobicContact CB-CB 4.41Å; F104-A169 VanDerWaalsContact CD2-CA 3.48Å; F104-A169 HydrophobicContact CD2-CB 3.82Å; F104-A169 HydrophobicContact CG-CB 4.42Å; A169-K171 VanDerWaalsContact C-N 3.35Å; A169-K171 PolarHBondContact O-N 2.78Å; A169-L172 WeakPolarHBondContact O-CB 3.12Å; A169-L172 PolarHBondContact O-N 2.84Å; A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 2.96Å |
| 170 | S | 92.4 | Very high | 90.6 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 54% | 0.538 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 177.1 | -41.1 | 0 | 0 | 0 | 0 | 112.4 | S168 M173 E174 | S168-S170 VanDerWaalsContact C-N 3.28Å; S168-S170 PolarHBondContact O-N 3.47Å; S170-M173 PolarHBondContact O-N 2.94Å; S170-E174 PolarHBondContact O-N 3.31Å |
| 171 | K | 94.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 44 Ų | 44 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 177.5 | -175.4 | 56.2 | 178.5 | 176.1 | 0 | 111.7 | V166 S168 A169 M173 E174 L175 | V166-K171 HydrophobicContact CB-CG 4.47Å; V166-K171 HydrophobicContact CG1-CG 4.05Å; S168-K171 PolarHBondContact O-N 2.8Å; S168-K171 PolarHBondContact OG-N 2.65Å; A169-K171 VanDerWaalsContact C-N 3.35Å; A169-K171 PolarHBondContact O-N 2.78Å; K171-M173 VanDerWaalsContact C-N 3.35Å; K171-E174 HydrophobicContact CD-CB 4.5Å; K171-E174 WeakPolarHBondContact CD-OE2 3.5Å; K171-E174 IonicContact NZ-OE1 2.8Å; K171-E174 PolarHBondContact NZ-OE1 3.39Å; K171-E174 IonicContact NZ-OE2 3.09Å; K171-E174 PolarHBondContact NZ-OE2 3.16Å; K171-E174 WeakPolarHBondContact O-CB 3.4Å; K171-E174 PolarHBondContact O-N 2.85Å; K171-L175 PolarHBondContact O-N 2.94Å; K171-L175 VanDerWaalsContact O-N 3.16Å |
| 172 | L | 95.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.9 | -175.6 | 133.4 | 0 | 0 | 0 | 111.1 | A100 F104 V119 V166 S168 A169 E174 L175 V176 V203 | A100-L172 HydrophobicContact CB-CD2 3.5Å; F104-L172 HydrophobicContact CE2-CB 4.37Å; F104-L172 HydrophobicContact CE2-CD1 4.49Å; V119-L172 HydrophobicContact CG2-CD1 3.36Å; V119-L172 HydrophobicContact CG2-CG 4.08Å; V166-L172 HydrophobicContact CG2-CD1 4.36Å; S168-L172 PolarHBondContact O-N 3.39Å; S168-L172 VanDerWaalsContact O-N 3.13Å; A169-L172 WeakPolarHBondContact O-CB 3.12Å; A169-L172 PolarHBondContact O-N 2.84Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-E174 PolarHBondContact O-N 3.01Å; L172-L175 PolarHBondContact O-N 3.46Å; L172-V176 HydrophobicContact CD2-CG2 4.42Å; L172-V176 WeakPolarHBondContact O-CG2 3.44Å; L172-V176 PolarHBondContact O-N 3.25Å; L172-V203 HydrophobicContact CD1-CG1 4.49Å; L172-V203 HydrophobicContact CD1-CG2 3.78Å |
| 173 | M | 94.3 | Very high | 90.9 | Very high | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.5 | -29.7 | 177.9 | -70.6 | -52.5 | -56.6 | 0 | 0 | 113.7 | I96 P97 A100 A169 S170 K171 V176 R177 | I96-M173 HydrophobicContact CG2-SD 3.99Å; P97-M173 HydrophobicContact CB-CE 3.92Å; P97-M173 HydrophobicContact CB-SD 3.97Å; P97-M173 HydrophobicContact CG-CE 4.49Å; A100-M173 HydrophobicContact CB-CG 4.28Å; A100-M173 HydrophobicContact CB-SD 4.29Å; A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 2.96Å; S170-M173 PolarHBondContact O-N 2.94Å; K171-M173 VanDerWaalsContact C-N 3.35Å; M173-V176 HydrophobicContact CE-CB 4.38Å; M173-V176 HydrophobicContact CE-CG1 4.28Å; M173-V176 PolarHBondContact O-N 3.26Å; M173-R177 WeakPolarHBondContact O-CB 3.46Å; M173-R177 PolarHBondContact O-N 3.37Å |
| 174 | E | 91.8 | Very high | 90 | Very high | 100 Ų | 100 | 43.6 Ų | 43.6 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 170.5 | -170 | -162.1 | 144 | 0 | 0 | 111.2 | S170 K171 L172 R177 G178 | S170-E174 PolarHBondContact O-N 3.31Å; K171-E174 HydrophobicContact CD-CB 4.5Å; K171-E174 WeakPolarHBondContact CD-OE2 3.5Å; K171-E174 IonicContact NZ-OE1 2.8Å; K171-E174 PolarHBondContact NZ-OE1 3.39Å; K171-E174 IonicContact NZ-OE2 3.09Å; K171-E174 PolarHBondContact NZ-OE2 3.16Å; K171-E174 WeakPolarHBondContact O-CB 3.4Å; K171-E174 PolarHBondContact O-N 2.85Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-E174 PolarHBondContact O-N 3.01Å; E174-R177 PolarHBondContact O-N 3.22Å; E174-G178 PolarHBondContact O-N 3.27Å |
| 175 | L | 93.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.1 | -64.6 | 178.9 | 0 | 0 | 0 | 111.7 | V119 I121 L133 E164 V166 K171 L172 R177 G178 G179 | V119-L175 HydrophobicContact CB-CD1 4.34Å; I121-L175 HydrophobicContact CD1-CB 4.2Å; I121-L175 WeakPolarHBondContact CD1-O 3.42Å; L133-L175 HydrophobicContact CD1-CD1 4.47Å; L133-L175 HydrophobicContact CD2-CB 4.13Å; L133-L175 HydrophobicContact CD2-CD2 4.2Å; E164-L175 HydrophobicContact CB-CD1 3.8Å; E164-L175 WeakPolarHBondContact OE2-CD2 3.31Å; V166-L175 HydrophobicContact CG1-CD1 3.63Å; K171-L175 PolarHBondContact O-N 2.94Å; K171-L175 VanDerWaalsContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 3.46Å; L175-R177 PolarHBondContact O-N 3.46Å; L175-G178 PolarHBondContact O-N 2.87Å; L175-G179 PolarHBondContact O-N 3.09Å |
| 176 | V | 92.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L75 I96 I121 L172 M173 G178 G179 L180 I201 | L75-V176 HydrophobicContact CD2-CG1 4.01Å; I96-V176 HydrophobicContact CG2-CG1 4.38Å; I96-V176 HydrophobicContact CG2-CG2 4.31Å; I121-V176 HydrophobicContact CD1-CB 4.43Å; I121-V176 HydrophobicContact CD1-CG2 3.99Å; L172-V176 HydrophobicContact CD2-CG2 4.42Å; L172-V176 WeakPolarHBondContact O-CG2 3.44Å; L172-V176 PolarHBondContact O-N 3.25Å; M173-V176 HydrophobicContact CE-CB 4.38Å; M173-V176 HydrophobicContact CE-CG1 4.28Å; M173-V176 PolarHBondContact O-N 3.26Å; V176-G178 PolarHBondContact O-N 3.21Å; V176-G179 PolarHBondContact O-N 3.34Å; V176-L180 HydrophobicContact CG1-CD1 3.94Å; V176-L180 HydrophobicContact CG1-CG 4.32Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 VanDerWaalsContact O-CG 3.25Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.99Å; V176-I201 HydrophobicContact CG1-CD1 4.01Å; V176-I201 HydrophobicContact CG2-CD1 3.81Å; V176-I201 HydrophobicContact CG2-CG1 4.44Å |
| 177 | R | 89.9 | Confident | 84.3 | Confident | 106 Ų | 106 | 50.8 Ų | 50.8 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.7 | -171.1 | -175.2 | -64.7 | 127.5 | -3.6 | 111.8 | M173 E174 L175 L180 Q181 | M173-R177 WeakPolarHBondContact O-CB 3.46Å; M173-R177 PolarHBondContact O-N 3.37Å; E174-R177 PolarHBondContact O-N 3.22Å; L175-R177 PolarHBondContact O-N 3.46Å; R177-L180 PolarHBondContact O-N 2.89Å; R177-Q181 WeakPolarHBondContact O-CG 3.05Å; R177-Q181 PolarHBondContact O-N 3.09Å |
| 178 | G | 87.4 | Confident | 82 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E174 L175 V176 L180 Q181 L182 | E174-G178 PolarHBondContact O-N 3.27Å; L175-G178 PolarHBondContact O-N 2.87Å; V176-G178 PolarHBondContact O-N 3.21Å; G178-L180 PolarHBondContact O-N 3.35Å; G178-Q181 PolarHBondContact O-N 3Å; G178-L182 PolarHBondContact O-N 3.34Å; G178-L182 VanDerWaalsContact O-N 3.15Å |
| 179 | G | 87.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L132 L175 V176 Q181 L182 R183 | L132-G179 WeakPolarHBondContact CD1-O 3.36Å; L175-G179 PolarHBondContact O-N 3.09Å; V176-G179 PolarHBondContact O-N 3.34Å; G179-Q181 VanDerWaalsContact C-N 3.34Å; G179-Q181 PolarHBondContact O-N 3.38Å; G179-L182 PolarHBondContact O-N 3.21Å; G179-R183 PolarHBondContact O-N 2.87Å |
| 180 | L | 86.1 | Confident | 77.1 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 175.5 | -71.1 | 172.8 | 0 | 0 | 0 | 112.7 | L75 V176 R177 G178 L182 R183 A184 L199 | L75-L180 HydrophobicContact CD1-CD1 3.76Å; L75-L180 HydrophobicContact CD1-CD2 3.82Å; L75-L180 HydrophobicContact CD1-CG 4.45Å; L75-L180 HydrophobicContact CD2-CD1 3.85Å; L75-L180 HydrophobicContact CG-CD1 4.45Å; V176-L180 HydrophobicContact CG1-CD1 3.94Å; V176-L180 HydrophobicContact CG1-CG 4.32Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 VanDerWaalsContact O-CG 3.25Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.99Å; R177-L180 PolarHBondContact O-N 2.89Å; G178-L180 PolarHBondContact O-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 3.32Å; L180-R183 PolarHBondContact O-N 2.92Å; L180-A184 WeakPolarHBondContact O-CB 3.46Å; L180-A184 PolarHBondContact O-N 3.43Å; L180-L199 HydrophobicContact CD2-CD2 3.61Å |
| 181 | Q | 83.3 | Confident | 74.9 | Confident | 94 Ų | 94 | 56 Ų | 56 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 174.1 | -72.4 | 176 | 0.2 | 0 | 0 | 112 | R177 G178 G179 K185 | R177-Q181 WeakPolarHBondContact O-CG 3.05Å; R177-Q181 PolarHBondContact O-N 3.09Å; G178-Q181 PolarHBondContact O-N 3Å; G179-Q181 VanDerWaalsContact C-N 3.34Å; G179-Q181 PolarHBondContact O-N 3.38Å; Q181-K185 WeakPolarHBondContact O-CB 3.28Å; Q181-K185 WeakPolarHBondContact O-CD 3.48Å; Q181-K185 WeakPolarHBondContact O-CG 3.25Å; Q181-K185 PolarHBondContact O-N 3.28Å |
| 182 | L | 82 | Confident | 72.6 | Confident | 33 Ų | 33 | 58 Ų | 58 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 174.3 | -68.7 | 176.9 | 0 | 0 | 0 | 111.7 | L132 A140 G178 G179 L180 A184 K185 H186 | L132-L182 HydrophobicContact CD2-CB 4.35Å; L132-L182 WeakPolarHBondContact O-CD1 3.4Å; A140-L182 WeakPolarHBondContact O-CD2 3.4Å; G178-L182 PolarHBondContact O-N 3.34Å; G178-L182 VanDerWaalsContact O-N 3.15Å; G179-L182 PolarHBondContact O-N 3.21Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 3.32Å; L182-A184 VanDerWaalsContact C-N 3.28Å; L182-A184 PolarHBondContact O-N 3.31Å; L182-K185 PolarHBondContact O-N 3.21Å; L182-K185 VanDerWaalsContact O-N 3.08Å; L182-H186 PolarHBondContact O-N 2.92Å |
| 183 | R | 83.4 | Confident | 71 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 5% | 0.049 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55 | -44.4 | 173.5 | -176.4 | -176.8 | -177.8 | -165.8 | 5.8 | 111.3 | L132 G179 L180 K185 H186 S194 S197 D268 | L132-R183 HydrophobicContact CD1-CB 4.48Å; G179-R183 PolarHBondContact O-N 2.87Å; L180-R183 PolarHBondContact O-N 2.92Å; R183-K185 VanDerWaalsContact C-N 3.31Å; R183-K185 PolarHBondContact O-N 3.38Å; R183-H186 PolarHBondContact O-N 3.41Å; R183-S194 PolarHBondContact NH2-O 2.89Å; R183-S197 PolarHBondContact NE-OG 2.92Å; R183-S197 VanDerWaalsContact NE-OG 3.12Å; R183-S197 PolarHBondContact NH2-O 2.89Å; R183-D268 IonicContact CZ-OD2 2.66Å; R183-D268 IonicContact NH1-OD2 3.4Å; R183-D268 PolarHBondContact NH1-OD2 3.1Å; R183-D268 VanDerWaalsContact NH1-OD2 3.15Å; R183-D268 IonicContact NH2-OD2 3.83Å |
| 184 | A | 70.6 | Confident | 69.6 | Low | 73 Ų | 73 | 61.8 Ų | 61.8 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.3 | -25.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L180 L182 | L180-A184 WeakPolarHBondContact O-CB 3.46Å; L180-A184 PolarHBondContact O-N 3.43Å; L182-A184 VanDerWaalsContact C-N 3.28Å; L182-A184 PolarHBondContact O-N 3.31Å |
| 185 | K | 61.6 | Low | 68.7 | Low | 129 Ų | 129 | 57.5 Ų | 57.5 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -89 | -8.7 | -178.9 | -74.5 | 171.4 | -173.9 | 176.2 | 0 | 113.7 | Q181 L182 R183 P187 | Q181-K185 WeakPolarHBondContact O-CB 3.28Å; Q181-K185 WeakPolarHBondContact O-CD 3.48Å; Q181-K185 WeakPolarHBondContact O-CG 3.25Å; Q181-K185 PolarHBondContact O-N 3.28Å; L182-K185 PolarHBondContact O-N 3.21Å; L182-K185 VanDerWaalsContact O-N 3.08Å; R183-K185 VanDerWaalsContact C-N 3.31Å; R183-K185 PolarHBondContact O-N 3.38Å; K185-P187 WeakPolarHBondContact O-CD 3.33Å; K185-P187 VanDerWaalsContact O-N 3.14Å |
| 186 | H | 57 | Low | 68.1 | Low | 29 Ų | 29 | 57.6 Ų | 57.6 | 13% | 0.134 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -65.6 | 111.7 | 173.4 | -138.4 | 102.4 | 0 | 0 | 0 | 108.1 | F130 S142 L182 R183 T188 | F130-H186 AromaticContact CD1-CE1 3.77Å; F130-H186 AromaticContact CE1-CE1 3.53Å; F130-H186 AromaticContact CZ-CE1 3.8Å; F130-H186 AromaticContact CZ-NE2 3.93Å; S142-H186 WeakPolarHBondContact CB-ND1 3.24Å; S142-H186 PolarHBondContact O-CE1 2.85Å; S142-H186 VanDerWaalsContact O-CE1 3.3Å; S142-H186 PolarHBondContact O-ND1 2.93Å; S142-H186 VanDerWaalsContact O-ND1 3.13Å; S142-H186 PolarHBondContact OG-CE1 2.95Å; L182-H186 PolarHBondContact O-N 2.92Å; R183-H186 PolarHBondContact O-N 3.41Å; H186-T188 PolarHBondContact O-N 3.46Å |
| 187 | P | 45.1 | Very low | 67.9 | Low | 109 Ų | 109 | 57.7 Ų | 57.7 | 71% | 0.708 | 33% | 0.33 | S | S | * | . | trans | -72.8 | 97 | -177.3 | 15.2 | -6.7 | 0 | 0 | 0 | 108.2 | K185 | K185-P187 WeakPolarHBondContact O-CD 3.33Å; K185-P187 VanDerWaalsContact O-N 3.14Å | ||
| 188 | T | 45.3 | Very low | 68 | Low | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | trans | -72.4 | 135.7 | 156.9 | 75.3 | 0 | 0 | 0 | 0 | 106 | Y125 H186 V190 H191 | Y125-T188 HydrophobicContact CE2-CG2 3.82Å; Y125-T188 WeakPolarHBondContact OH-CG2 3.33Å; H186-T188 PolarHBondContact O-N 3.46Å; T188-V190 PolarHBondContact O-N 2.94Å; T188-H191 WeakPolarHBondContact OG1-CA 3.39Å; T188-H191 PolarHBondContact OG1-N 3.24Å; T188-H191 PolarHBondContact OG1-O 2.62Å | ||
| 189 | L | 42.5 | Very low | 68.3 | Low | 148 Ų | 148 | 51.6 Ų | 51.6 | 78% | 0.775 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -63.8 | -5 | -177 | -85.5 | 160.5 | 0 | 0 | 0 | 113 | ||
| 190 | V | 42.8 | Very low | 68.7 | Low | 70 Ų | 70 | 51.6 Ų | 51.6 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -144.1 | -18.9 | -170.7 | -173 | 0 | 0 | 0 | 0 | 115.7 | T188 A284 | T188-V190 PolarHBondContact O-N 2.94Å; V190-A284 HydrophobicContact CB-CB 3.71Å; V190-A284 HydrophobicContact CG1-CB 3.81Å; V190-A284 HydrophobicContact CG2-CB 3.57Å |
| 191 | H | 45.9 | Very low | 69.2 | Low | 65 Ų | 65 | 49.8 Ų | 49.8 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | trans | -147 | 115.7 | -178.1 | -62.2 | -58.5 | 0 | 0 | 0 | 115.4 | T188 D193 R196 | T188-H191 WeakPolarHBondContact OG1-CA 3.39Å; T188-H191 PolarHBondContact OG1-N 3.24Å; T188-H191 PolarHBondContact OG1-O 2.62Å; H191-D193 PolarHBondContact O-N 2.72Å; H191-R196 HydrophobicContact CB-CG 4.23Å | ||
| 192 | A | 47.7 | Very low | 69.9 | Low | 110 Ų | 110 | 45.9 Ų | 45.9 | 91% | 0.909 | 27% | 0.271 | S | S | * | . | trans | -74 | 36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 193 | D | 61.3 | Low | 70.6 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -128.3 | 135.2 | -168.6 | -174.9 | 14.6 | 0 | 0 | 0 | 113.1 | H191 S195 R196 | H191-D193 PolarHBondContact O-N 2.72Å; D193-S195 PolarHBondContact O-N 3.22Å; D193-S195 PolarHBondContact OD1-N 3.14Å; D193-S195 VanDerWaalsContact OD2-CB 3.31Å; D193-S195 WeakPolarHBondContact OD2-CB 3.24Å; D193-S195 PolarHBondContact OD2-OG 3.45Å; D193-R196 PolarHBondContact O-N 3.26Å |
| 194 | S | 65.5 | Low | 71.1 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -45.3 | -22 | 168.8 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | R183 R196 S197 | R183-S194 PolarHBondContact NH2-O 2.89Å; S194-R196 PolarHBondContact O-N 2.8Å; S194-S197 PolarHBondContact O-N 3.49Å |
| 195 | S | 72.8 | Confident | 72.2 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -59.5 | -14.7 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 115.7 | T66 D193 A270 G271 | T66-S195 VanDerWaalsContact OG1-CB 3.31Å; T66-S195 WeakPolarHBondContact OG1-CB 3.24Å; D193-S195 PolarHBondContact O-N 3.22Å; D193-S195 PolarHBondContact OD1-N 3.14Å; D193-S195 VanDerWaalsContact OD2-CB 3.31Å; D193-S195 WeakPolarHBondContact OD2-CB 3.24Å; D193-S195 PolarHBondContact OD2-OG 3.45Å; S195-A270 WeakPolarHBondContact O-CA 3.36Å; S195-A270 WeakPolarHBondContact O-CB 3.4Å; S195-G271 PolarHBondContact O-N 3.38Å |
| 196 | R | 79.6 | Confident | 73.7 | Confident | 19 Ų | 19 | 36 Ų | 36 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -101.7 | -4.7 | -173.2 | -60.6 | -65.5 | 169.5 | -149.7 | -13.4 | 115.9 | Y125 H191 D193 S194 E273 E287 I291 | Y125-R196 WeakPolarHBondContact CD2-O 3.37Å; H191-R196 HydrophobicContact CB-CG 4.23Å; D193-R196 PolarHBondContact O-N 3.26Å; S194-R196 PolarHBondContact O-N 2.8Å; R196-E273 IonicContact CZ-OE1 3.32Å; R196-E273 IonicContact NH1-OE1 2.72Å; R196-E273 PolarHBondContact NH1-OE1 3.49Å; R196-E273 IonicContact NH2-OE1 3.95Å; R196-E273 PolarHBondContact NH2-OE1 3.09Å; R196-E287 VanDerWaalsContact CB-OE1 3.28Å; R196-E287 WeakPolarHBondContact CB-OE1 3.46Å; R196-E287 WeakPolarHBondContact CG-OE1 3.36Å; R196-I291 HydrophobicContact CB-CD1 3.87Å; R196-I291 HydrophobicContact CG-CD1 4.24Å; R196-I291 VanDerWaalsContact O-CD1 3.3Å; R196-I291 WeakPolarHBondContact O-CD1 3.38Å; R196-I291 WeakPolarHBondContact O-CG1 3.16Å |
| 197 | S | 88.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -136 | 155.4 | 176 | 66 | 0 | 0 | 0 | 0 | 111.5 | E123 R183 S194 | E123-S197 WeakPolarHBondContact OE1-CB 3.42Å; E123-S197 PolarHBondContact OE1-OG 3.36Å; R183-S197 PolarHBondContact NE-OG 2.92Å; R183-S197 VanDerWaalsContact NE-OG 3.12Å; R183-S197 PolarHBondContact NH2-O 2.89Å; S194-S197 PolarHBondContact O-N 3.49Å |
| 198 | H | 92.9 | Very high | 76.9 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.3 | 174 | -47 | -81.4 | 0 | 0 | 0 | 109 | E123 V124 D268 L269 A270 S294 L319 | E123-H198 CarbonylContact C-O 3.59Å; E123-H198 WeakPolarHBondContact CA-O 3.4Å; V124-H198 HydrophobicContact CB-CB 4.16Å; V124-H198 PolarHBondContact N-O 3.35Å; V124-H198 PolarHBondContact O-CD2 2.92Å; V124-H198 PolarHBondContact O-N 2.93Å; H198-D268 WeakPolarHBondContact CA-O 3.36Å; H198-L269 HydrophobicContact CB-CD2 4.3Å; H198-L269 WeakPolarHBondContact ND1-CA 3.34Å; H198-L269 WeakPolarHBondContact ND1-CD2 3.39Å; H198-A270 VanDerWaalsContact CE1-CB 3.43Å; H198-A270 WeakPolarHBondContact CE1-CB 3.47Å; H198-A270 PolarHBondContact ND1-N 3.38Å; H198-S294 PolarHBondContact NE2-OG 2.6Å; H198-L319 HydrophobicContact CB-CD1 4.09Å |
| 199 | L | 94 | Very high | 78 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129 | 173.2 | 177.4 | 71.1 | 0 | 0 | 0 | 109.7 | I121 L132 L180 I201 V267 D268 | I121-L199 HydrophobicContact CG2-CD1 3.68Å; L132-L199 HydrophobicContact CD1-CD1 3.97Å; L180-L199 HydrophobicContact CD2-CD2 3.61Å; L199-I201 HydrophobicContact CD2-CD1 4.27Å; L199-I201 HydrophobicContact CG-CG1 4.42Å; L199-V267 CarbonylContact O-C 3.27Å; L199-V267 WeakPolarHBondContact O-CA 3.29Å; L199-D268 HydrophobicContact CB-CB 4.29Å; L199-D268 PolarHBondContact N-O 3.47Å; L199-D268 PolarHBondContact O-N 3.01Å |
| 200 | I | 95.9 | Very high | 78.6 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 113.3 | 178.3 | -61.7 | 160.5 | 0 | 0 | 0 | 107.9 | V122 V124 V267 L319 L322 L323 | V122-I200 PolarHBondContact N-O 3.29Å; V122-I200 PolarHBondContact O-N 2.81Å; V124-I200 HydrophobicContact CG2-CD1 3.94Å; I200-V267 HydrophobicContact CG1-CG1 3.92Å; I200-V267 HydrophobicContact CG1-CG2 4.22Å; I200-V267 HydrophobicContact CG2-CG2 4.37Å; I200-L319 HydrophobicContact CD1-CD1 3.97Å; I200-L322 HydrophobicContact CD1-CD2 3.42Å; I200-L322 VanDerWaalsContact CD1-CD2 3.42Å; I200-L322 HydrophobicContact CD1-CG 4.14Å; I200-L323 HydrophobicContact CD1-CD2 4.27Å |
| 201 | I | 96.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.2 | 171.3 | -62.2 | 158.2 | 0 | 0 | 0 | 107 | I96 V119 I121 V176 L199 V203 Q265 L266 | I96-I201 HydrophobicContact CD1-CD1 3.66Å; I96-I201 HydrophobicContact CG1-CD1 4.22Å; I96-I201 HydrophobicContact CG2-CD1 4.05Å; V119-I201 HydrophobicContact CG1-CG2 4.19Å; I121-I201 HydrophobicContact CG1-CG1 4.26Å; I121-I201 HydrophobicContact CG1-CG2 4.46Å; I121-I201 HydrophobicContact CG2-CG1 4.06Å; V176-I201 HydrophobicContact CG1-CD1 4.01Å; V176-I201 HydrophobicContact CG2-CD1 3.81Å; V176-I201 HydrophobicContact CG2-CG1 4.44Å; L199-I201 HydrophobicContact CD2-CD1 4.27Å; L199-I201 HydrophobicContact CG-CG1 4.42Å; I201-V203 HydrophobicContact CG2-CG2 4.46Å; I201-Q265 WeakPolarHBondContact O-CA 3.47Å; I201-L266 HydrophobicContact CB-CB 4.39Å; I201-L266 PolarHBondContact N-O 3.36Å; I201-L266 PolarHBondContact O-N 3.42Å |
| 202 | T | 96.6 | Very high | 78.4 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.3 | 176.6 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | V119 S120 R263 L264 Q265 | V119-T202 WeakPolarHBondContact CA-O 3.32Å; S120-T202 PolarHBondContact N-O 2.95Å; S120-T202 PolarHBondContact O-N 3.42Å; T202-R263 HydrophobicContact CG2-CB 4.34Å; T202-R263 HydrophobicContact CG2-CG 4.5Å; T202-L264 CarbonylContact C-O 3.57Å; T202-L264 WeakPolarHBondContact CA-O 3.46Å; T202-Q265 HydrophobicContact CG2-CG 4.06Å |
| 203 | V | 96.8 | Very high | 78.1 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122 | 169.7 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L103 V117 E118 V119 L172 I201 L205 R263 L264 | L103-V203 HydrophobicContact CD2-CG1 3.89Å; V117-V203 HydrophobicContact CG1-CG1 3.55Å; E118-V203 CarbonylContact O-C 3.6Å; E118-V203 WeakPolarHBondContact O-CA 3.46Å; V119-V203 HydrophobicContact CG2-CG2 4.48Å; L172-V203 HydrophobicContact CD1-CG1 4.49Å; L172-V203 HydrophobicContact CD1-CG2 3.78Å; I201-V203 HydrophobicContact CG2-CG2 4.46Å; V203-L205 HydrophobicContact CG1-CD2 4.44Å; V203-R263 CarbonylContact O-C 3.56Å; V203-R263 WeakPolarHBondContact O-CA 3.48Å; V203-L264 HydrophobicContact CB-CB 4.27Å; V203-L264 PolarHBondContact N-O 3.45Å; V203-L264 PolarHBondContact O-N 3.49Å |
| 204 | T | 95.2 | Very high | 77 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.5 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 109 | V117 E118 Q261 R263 | V117-T204 WeakPolarHBondContact CA-O 3.37Å; E118-T204 PolarHBondContact N-O 3.1Å; E118-T204 PolarHBondContact O-N 3.4Å; T204-Q261 VanDerWaalsContact CG2-CD 3.48Å; T204-Q261 HydrophobicContact CG2-CG 3.52Å; T204-R263 HydrophobicContact CG2-CG 4.42Å |
| 205 | L | 93.9 | Very high | 75.7 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.6 | 172 | -57.7 | -171.7 | 0 | 0 | 0 | 109.1 | L52 L53 L103 I107 P115 V117 V203 Q261 A262 | L52-L205 HydrophobicContact CD2-CD1 3.74Å; L52-L205 HydrophobicContact CD2-CG 4.17Å; L52-L205 HydrophobicContact CG-CD1 3.69Å; L52-L205 HydrophobicContact CG-CG 4.29Å; L53-L205 HydrophobicContact CD2-CD1 3.76Å; L53-L205 HydrophobicContact CG-CD1 4.47Å; L103-L205 HydrophobicContact CD1-CD1 4.25Å; L103-L205 HydrophobicContact CD2-CD2 4.5Å; I107-L205 HydrophobicContact CD1-CD2 4.45Å; P115-L205 HydrophobicContact CB-CB 4.34Å; P115-L205 HydrophobicContact CB-CD2 4.45Å; V117-L205 HydrophobicContact CB-CD2 4.24Å; V117-L205 HydrophobicContact CG1-CD2 3.98Å; V117-L205 HydrophobicContact CG2-CD2 3.7Å; V203-L205 HydrophobicContact CG1-CD2 4.44Å; L205-Q261 CarbonylContact O-C 3.55Å; L205-Q261 VanDerWaalsContact O-CA 3.26Å; L205-Q261 WeakPolarHBondContact O-CA 3.25Å; L205-A262 PolarHBondContact N-O 3.36Å; L205-A262 PolarHBondContact O-N 2.94Å |
| 206 | T | 92.6 | Very high | 73.8 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.2 | 173.1 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | P115 K116 Q259 | P115-T206 WeakPolarHBondContact CA-O 3.36Å; K116-T206 PolarHBondContact N-O 2.94Å; K116-T206 PolarHBondContact O-N 2.88Å; T206-Q259 HydrophobicContact CG2-CB 4.12Å; T206-Q259 HydrophobicContact CG2-CG 4.27Å; T206-Q259 VanDerWaalsContact CG2-OE1 3.27Å |
| 207 | T | 88.4 | Confident | 71.8 | Confident | 34 Ų | 34 | 59 Ų | 59 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.3 | 177.1 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | P115 A209 Q259 V260 | P115-T207 HydrophobicContact CB-CG2 3.67Å; T207-A209 PolarHBondContact O-N 2.88Å; T207-Q259 CarbonylContact O-C 3.58Å; T207-Q259 WeakPolarHBondContact O-CA 3.4Å; T207-V260 PolarHBondContact N-O 3.39Å; T207-V260 PolarHBondContact O-N 2.93Å; T207-V260 PolarHBondContact OG1-O 2.85Å |
| 208 | A | 81.3 | Confident | 69.3 | Low | 69 Ų | 69 | 63.4 Ų | 63.4 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | C210 | A208-C210 PolarHBondContact O-N 2.89Å |
| 209 | A | 68.3 | Low | 66.5 | Low | 32 Ų | 32 | 69.8 Ų | 69.8 | 26% | 0.264 | 45% | 0.445 | S | S | . | . | trans | -60.8 | 110.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T207 S211 E258 V260 P372 | T207-A209 PolarHBondContact O-N 2.88Å; A209-S211 PolarHBondContact O-N 3.4Å; A209-E258 WeakPolarHBondContact CA-O 3.31Å; A209-E258 HydrophobicContact CB-CB 3.58Å; A209-E258 WeakPolarHBondContact CB-O 3.36Å; A209-E258 PolarHBondContact N-O 3.36Å; A209-V260 HydrophobicContact CB-CG2 4.13Å; A209-P372 HydrophobicContact CB-CB 4.39Å | ||
| 210 | C | 54.5 | Low | 63.6 | Low | 96 Ų | 96 | 74.7 Ų | 74.7 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | trans | -66.9 | 119.4 | 161.8 | -86.2 | 0 | 0 | 0 | 0 | 106.6 | A208 D212 | A208-C210 PolarHBondContact O-N 2.89Å; C210-D212 PolarHBondContact O-N 3.49Å | ||
| 211 | S | 44.3 | Very low | 60.6 | Low | 102 Ų | 102 | 79.5 Ų | 79.5 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | trans | -66.8 | 81.1 | 163.5 | 57.1 | 0 | 0 | 0 | 0 | 107.9 | A209 S213 | A209-S211 PolarHBondContact O-N 3.4Å; S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 3.5Å | ||
| 212 | D | 40.3 | Very low | 57.5 | Low | 154 Ų | 154 | 85.5 Ų | 85.5 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | trans | -67.8 | 76 | 166.8 | -82.3 | -12.5 | 0 | 0 | 0 | 107.8 | C210 | C210-D212 PolarHBondContact O-N 3.49Š| ||
| 213 | S | 41.4 | Very low | 54.3 | Low | 85 Ų | 85 | 92.3 Ų | 92.3 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | trans | -106.2 | 97.3 | 168.8 | -2.6 | 0 | 0 | 0 | 0 | 105.4 | S211 | S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 3.5Å | ||
| 214 | T | 38.1 | Very low | 51.1 | Low | 146 Ų | 146 | 98.2 Ų | 98.2 | 90% | 0.896 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 146.3 | 63 | 151 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 215 | A | 37.8 | Very low | 48.1 | Very low | 89 Ų | 89 | 109 Ų | 109 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -163.4 | 77.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 216 | D | 32.8 | Very low | 44.8 | Very low | 168 Ų | 168 | 118 Ų | 118 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 175.4 | 27.8 | 153.2 | -92.3 | -11.8 | 0 | 0 | 0 | 114.5 | ||
| 217 | Q | 38.3 | Very low | 41.9 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | trans | -132 | 70.7 | 165 | -83.4 | -173.2 | 19.2 | 0 | 0 | 111.1 | ||||
| 218 | A | 36.4 | Very low | 39.1 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -155.3 | 60.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 219 | C | 33.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 136 Ų | 136 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -154.2 | 60.3 | 162.8 | -91.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 220 | S | 31.9 | Very low | 34.7 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -142 | 64.5 | 152 | 80.7 | 0 | 0 | 0 | 0 | 109.7 | T222 | S220-T222 VanDerWaalsContact C-N 3.26Å; S220-T222 PolarHBondContact O-N 2.89Å | ||
| 221 | A | 33.4 | Very low | 33.4 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -72.9 | 90.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | L223 | A221-L223 PolarHBondContact O-N 2.89Š| ||
| 222 | T | 30.9 | Very low | 32.7 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -66.3 | 113.4 | 169.7 | -41.2 | 0 | 0 | 0 | 0 | 108 | S220 | S220-T222 VanDerWaalsContact C-N 3.26Å; S220-T222 PolarHBondContact O-N 2.89Å | ||
| 223 | L | 30.1 | Very low | 32.3 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131 | 171.4 | -67.1 | 159.5 | 0 | 0 | 0 | 110.4 | A221 R225 | A221-L223 PolarHBondContact O-N 2.89Å; L223-R225 PolarHBondContact O-N 3.3Å |
| 224 | P | 29.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 120.8 | 164 | -5.2 | 22.5 | 0 | 0 | 0 | 108.9 | ||
| 225 | R | 31.7 | Very low | 31.4 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.8 | 167.1 | -81.7 | 173.9 | 125.1 | 157.2 | -1.9 | 109.7 | L223 | L223-R225 PolarHBondContact O-N 3.3Š|
| 226 | E | 26.1 | Very low | 31 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.5 | 161.2 | -70.6 | 177.7 | 102 | 0 | 0 | 110.2 | ||
| 227 | Q | 31.2 | Very low | 30.9 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | trans | -143.5 | 142.8 | 150.2 | -75.3 | -164.2 | -22.5 | 0 | 0 | 110.3 | ||||
| 228 | T | 28.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 72% | 0.724 | 85% | 0.848 | S | S | * | * | trans | -87.8 | 150 | -159.3 | -32.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 229 | E | 29.6 | Very low | 30.4 | Very low | 187 Ų | 187 | 155.9 Ų | 155.9 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | trans | 60.4 | 142 | 150.5 | -84 | 168.4 | -171.2 | 0 | 0 | 119.4 | ||||
| 230 | A | 28.4 | Very low | 30.4 | Very low | 95 Ų | 95 | 154.7 Ų | 154.7 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | cis | -166.5 | 155.1 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 231 | G | 27.1 | Very low | 30.5 | Very low | 79 Ų | 79 | 159 Ų | 159 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | trans | 82.4 | 110.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 232 | R | 30.3 | Very low | 30.6 | Very low | 256 Ų | 256 | 158.1 Ų | 158.1 | 97% | 0.966 | 85% | 0.852 | S | S | * | * | 160.6 | 131.4 | 105.1 | -167 | 165.4 | -173.2 | 171.3 | 1.2 | 111.4 | |||||
| 233 | A | 30.2 | Very low | 30.7 | Very low | 104 Ų | 104 | 156.9 Ų | 156.9 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -67.3 | 147.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 234 | G | 30.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 155.2 Ų | 155.2 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | trans | -163.4 | 120.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 235 | R | 30.8 | Very low | 31 | Very low | 250 Ų | 250 | 153.5 Ų | 153.5 | 94% | 0.943 | 85% | 0.852 | S | S | * | * | trans | -65.2 | 146.5 | -174.3 | -86.4 | 163.4 | 153.3 | 172.7 | -7.1 | 115.7 | ||||
| 236 | S | 29.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 85% | 0.848 | S | S | * | * | trans | 54.3 | 117.8 | 131.8 | -160.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 237 | R | 31.3 | Very low | 31.3 | Very low | 237 Ų | 237 | 147.5 Ų | 147.5 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | -178.3 | 135.3 | 109.7 | -107.6 | 174 | 169.1 | 159 | -4 | 112.7 | |||||
| 238 | R | 31.5 | Very low | 31.2 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -67.6 | 134.4 | 160.5 | -75.9 | 173.8 | 164.9 | 173.6 | -5.2 | 109.6 | ||||
| 239 | T | 32.2 | Very low | 31.5 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 82% | 0.816 | 85% | 0.846 | S | S | * | * | trans | -142.9 | 114.4 | 146.9 | 46.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 240 | S | 33.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | -60.1 | 130.5 | 162.3 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 241 | Q | 34.8 | Very low | 31.9 | Very low | 195 Ų | 195 | 150.5 Ų | 150.5 | 91% | 0.911 | 85% | 0.848 | S | S | * | * | trans | -156.1 | 122.3 | 149.4 | -107.4 | 166.6 | 29.8 | 0 | 0 | 108.9 | ||||
| 242 | G | 35.1 | Very low | 32.1 | Very low | 85 Ų | 85 | 153.6 Ų | 153.6 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | -67.3 | 142.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 243 | A | 33.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | trans | -125.6 | 117.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 244 | S | 30.7 | Very low | 32.7 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 138.8 | -173.5 | -45 | 0 | 0 | 0 | 0 | 113.7 | ||
| 245 | A | 35.7 | Very low | 33 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 136.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q247 | A245-Q247 PolarHBondContact O-N 3.43Å; A245-Q247 VanDerWaalsContact O-N 3.14Å |
| 246 | P | 34.3 | Very low | 33.6 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.1 | 172.4 | 26.4 | -29.8 | 0 | 0 | 0 | 108.6 | L248 | P246-L248 PolarHBondContact O-N 3.47Š|
| 247 | Q | 29.5 | Very low | 34.9 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -64 | 115.6 | 177.5 | -163.4 | 169.9 | -6.6 | 0 | 0 | 108.8 | A245 V249 | A245-Q247 PolarHBondContact O-N 3.43Å; A245-Q247 VanDerWaalsContact O-N 3.14Å; Q247-V249 PolarHBondContact O-N 2.87Å | ||
| 248 | L | 28.9 | Very low | 36.6 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -59.5 | 103.9 | 172.6 | -82.9 | 149.8 | 0 | 0 | 0 | 108.9 | P246 | P246-L248 PolarHBondContact O-N 3.47Š| ||
| 249 | V | 35.6 | Very low | 38.8 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 126.4 | 166.9 | -143.4 | 0 | 0 | 0 | 0 | 107 | Q247 R251 | Q247-V249 PolarHBondContact O-N 2.87Å; V249-R251 PolarHBondContact O-N 3.29Å; V249-R251 VanDerWaalsContact O-N 3.09Å |
| 250 | P | 33.6 | Very low | 41.3 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 117.1 | 174.6 | -19.2 | 31 | 0 | 0 | 0 | 108.8 | D252 | P250-D252 PolarHBondContact O-N 2.69Š|
| 251 | R | 32.2 | Very low | 43.9 | Very low | 243 Ų | 243 | 115.7 Ų | 115.7 | 92% | 0.917 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 128.1 | 169.5 | -82.5 | -177.9 | 170.8 | -179.7 | -3.3 | 108.1 | V249 | V249-R251 PolarHBondContact O-N 3.29Å; V249-R251 VanDerWaalsContact O-N 3.09Å |
| 252 | D | 31.5 | Very low | 46.6 | Very low | 144 Ų | 144 | 106.6 Ų | 106.6 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 136.4 | 168.1 | -80.8 | -47.7 | 0 | 0 | 0 | 111 | P250 A254 | P250-D252 PolarHBondContact O-N 2.69Å; D252-A254 PolarHBondContact O-N 3.37Å |
| 253 | P | 36.6 | Very low | 49.4 | Very low | 134 Ų | 134 | 104.8 Ų | 104.8 | 87% | 0.87 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -79 | 9.9 | 179.4 | 31.9 | -33.6 | 0 | 0 | 0 | 113.9 | G255 | P253-G255 VanDerWaalsContact C-N 3.28Å; P253-G255 PolarHBondContact O-N 3.33Å |
| 254 | A | 35.9 | Very low | 52.3 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | trans | -90.5 | 59 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D252 H256 | D252-A254 PolarHBondContact O-N 3.37Å; A254-H256 PolarHBondContact O-N 2.95Å; A254-H256 PolarHBondContact O-ND1 3.08Å; A254-H256 VanDerWaalsContact O-ND1 3.1Å | ||
| 255 | G | 36.9 | Very low | 55.4 | Low | 70 Ų | 70 | 95 Ų | 95 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | trans | -62.2 | 106.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | P253 A257 | P253-G255 VanDerWaalsContact C-N 3.28Å; P253-G255 PolarHBondContact O-N 3.33Å; G255-A257 PolarHBondContact O-N 2.7Å | ||
| 256 | H | 43.9 | Very low | 58.4 | Low | 146 Ų | 146 | 91 Ų | 91 | 68% | 0.676 | 51% | 0.508 | S | S | * | . | trans | -65.6 | 103.9 | 170.7 | -69.2 | 58 | 0 | 0 | 0 | 106.4 | A254 E258 | A254-H256 PolarHBondContact O-N 2.95Å; A254-H256 PolarHBondContact O-ND1 3.08Å; A254-H256 VanDerWaalsContact O-ND1 3.1Å; H256-E258 PolarHBondContact O-N 2.69Å | ||
| 257 | A | 56.4 | Low | 61.4 | Low | 69 Ų | 69 | 85 Ų | 85 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | trans | -62.7 | 107.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | G255 Q259 | G255-A257 PolarHBondContact O-N 2.7Å; A257-Q259 PolarHBondContact O-N 2.96Å | ||
| 258 | E | 67.3 | Low | 64.5 | Low | 115 Ų | 115 | 76.3 Ų | 76.3 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | trans | -51.4 | 134.8 | 168.5 | -90.8 | -174 | 172.2 | 0 | 0 | 108.5 | A209 H256 P372 | A209-E258 WeakPolarHBondContact CA-O 3.31Å; A209-E258 HydrophobicContact CB-CB 3.58Å; A209-E258 WeakPolarHBondContact CB-O 3.36Å; A209-E258 PolarHBondContact N-O 3.36Å; H256-E258 PolarHBondContact O-N 2.69Å; E258-P372 HydrophobicContact CB-CB 3.48Å; E258-P372 VanDerWaalsContact CB-CB 3.48Å; E258-P372 HydrophobicContact CB-CG 3.96Å; E258-P372 VanDerWaalsContact CD-CG 3.41Å; E258-P372 HydrophobicContact CG-CB 3.75Å; E258-P372 HydrophobicContact CG-CG 3.91Å; E258-P372 WeakPolarHBondContact OE2-CG 3.27Å | ||
| 259 | Q | 77.6 | Confident | 67.6 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.7 | -178.4 | -76 | 174.6 | 26.7 | 0 | 0 | 109.9 | T206 T207 A257 P372 S373 | T206-Q259 HydrophobicContact CG2-CB 4.12Å; T206-Q259 HydrophobicContact CG2-CG 4.27Å; T206-Q259 VanDerWaalsContact CG2-OE1 3.27Å; T207-Q259 CarbonylContact O-C 3.58Å; T207-Q259 WeakPolarHBondContact O-CA 3.4Å; A257-Q259 PolarHBondContact O-N 2.96Å; Q259-P372 CarbonylContact O-C 3.57Å; Q259-P372 WeakPolarHBondContact O-CA 3.46Å; Q259-S373 PolarHBondContact O-N 2.72Å |
| 260 | V | 83.8 | Confident | 70.3 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | T207 A209 P372 | T207-V260 PolarHBondContact N-O 3.39Å; T207-V260 PolarHBondContact O-N 2.93Å; T207-V260 PolarHBondContact OG1-O 2.85Å; A209-V260 HydrophobicContact CB-CG2 4.13Å; V260-P372 HydrophobicContact CG2-CB 4.29Å |
| 261 | Q | 88.4 | Confident | 72.9 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.5 | -178.9 | -171.9 | -179 | 66.1 | 0 | 0 | 111.4 | T204 L205 R263 R370 | T204-Q261 VanDerWaalsContact CG2-CD 3.48Å; T204-Q261 HydrophobicContact CG2-CG 3.52Å; L205-Q261 CarbonylContact O-C 3.55Å; L205-Q261 VanDerWaalsContact O-CA 3.26Å; L205-Q261 WeakPolarHBondContact O-CA 3.25Å; Q261-R263 VanDerWaalsContact OE1-NH2 3.11Å; Q261-R370 VanDerWaalsContact O-CD 3.28Å; Q261-R370 WeakPolarHBondContact O-CD 3.47Å |
| 262 | A | 91.1 | Very high | 75.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L52 L205 | L52-A262 HydrophobicContact CD1-CB 3.98Å; L52-A262 WeakPolarHBondContact O-CB 3.3Å; L205-A262 PolarHBondContact N-O 3.36Å; L205-A262 PolarHBondContact O-N 2.94Å |
| 263 | R | 93.3 | Very high | 77.4 | Confident | 47 Ų | 47 | 39.7 Ų | 39.7 | 18% | 0.177 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.3 | -177.2 | -63.8 | 178.8 | -177.6 | 150.4 | -5.4 | 111.6 | N57 V58 T202 V203 T204 Q261 D325 | N57-R263 CarbonylContact C-O 3.52Å; N57-R263 VanDerWaalsContact CA-O 3.32Å; N57-R263 WeakPolarHBondContact CA-O 3.49Å; N57-R263 PolarHBondContact OD1-N 2.84Å; V58-R263 PolarHBondContact N-O 3.28Å; T202-R263 HydrophobicContact CG2-CB 4.34Å; T202-R263 HydrophobicContact CG2-CG 4.5Å; V203-R263 CarbonylContact O-C 3.56Å; V203-R263 WeakPolarHBondContact O-CA 3.48Å; T204-R263 HydrophobicContact CG2-CG 4.42Å; Q261-R263 VanDerWaalsContact OE1-NH2 3.11Å; R263-D325 IonicContact NH1-OD2 2.69Å |
| 264 | L | 95.7 | Very high | 78.8 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.7 | 165.9 | 170.3 | 65.4 | 0 | 0 | 0 | 108.6 | L49 L52 V58 T202 V203 L266 | L49-L264 HydrophobicContact CD2-CD1 4.4Å; L49-L264 HydrophobicContact CD2-CD2 3.66Å; L52-L264 HydrophobicContact CD1-CB 3.81Å; L52-L264 HydrophobicContact CD2-CB 3.6Å; L52-L264 HydrophobicContact CD2-CD2 4.15Å; L52-L264 HydrophobicContact CD2-CG 4.43Å; L52-L264 HydrophobicContact CG-CB 4.31Å; V58-L264 HydrophobicContact CB-CD1 3.87Å; V58-L264 HydrophobicContact CG1-CD1 3.58Å; V58-L264 CarbonylContact O-C 3.53Å; V58-L264 WeakPolarHBondContact O-CA 3.33Å; T202-L264 CarbonylContact C-O 3.57Å; T202-L264 WeakPolarHBondContact CA-O 3.46Å; V203-L264 HydrophobicContact CB-CB 4.27Å; V203-L264 PolarHBondContact N-O 3.45Å; V203-L264 PolarHBondContact O-N 3.49Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 4.36Å; L264-L266 HydrophobicContact CD2-CD1 4.29Å; L264-L266 HydrophobicContact CD2-CD2 4.32Å; L264-L266 HydrophobicContact CD2-CG 4.27Å; L264-L266 HydrophobicContact CG-CD2 4.15Å; L264-L266 HydrophobicContact CG-CG 4.07Å |
| 265 | Q | 96.3 | Very high | 79.9 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.6 | 171.8 | -69.5 | -168.9 | -32.3 | 0 | 0 | 109.9 | V58 C59 V60 I201 T202 V267 C326 | V58-Q265 PolarHBondContact O-N 2.89Å; C59-Q265 CarbonylContact C-O 3.52Å; C59-Q265 WeakPolarHBondContact CA-O 2.97Å; C59-Q265 HydrophobicContact CB-CB 4.41Å; V60-Q265 PolarHBondContact N-O 3.47Å; I201-Q265 WeakPolarHBondContact O-CA 3.47Å; T202-Q265 HydrophobicContact CG2-CG 4.06Å; Q265-V267 HydrophobicContact CB-CG2 4.31Å; Q265-C326 PolarHBondContact OE1-SG 2.66Å |
| 266 | L | 97.4 | Very high | 80.9 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.9 | 173.5 | -59.6 | 172.9 | 0 | 0 | 0 | 107.7 | V60 M74 I95 I96 A99 I201 L264 | V60-L266 HydrophobicContact CB-CD2 4.03Å; V60-L266 HydrophobicContact CG2-CD2 4.3Å; V60-L266 WeakPolarHBondContact O-CA 3.09Å; M74-L266 HydrophobicContact CE-CB 3.83Å; I95-L266 HydrophobicContact CG2-CD2 4.23Å; I96-L266 HydrophobicContact CB-CD1 4.32Å; I96-L266 HydrophobicContact CG1-CB 4.06Å; I96-L266 HydrophobicContact CG1-CD1 3.86Å; I96-L266 HydrophobicContact CG2-CD1 4.38Å; A99-L266 HydrophobicContact CB-CD1 4.33Å; I201-L266 HydrophobicContact CB-CB 4.39Å; I201-L266 PolarHBondContact N-O 3.36Å; I201-L266 PolarHBondContact O-N 3.42Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 4.36Å; L264-L266 HydrophobicContact CD2-CD1 4.29Å; L264-L266 HydrophobicContact CD2-CD2 4.32Å; L264-L266 HydrophobicContact CD2-CG 4.27Å; L264-L266 HydrophobicContact CG-CD2 4.15Å; L264-L266 HydrophobicContact CG-CG 4.07Å |
| 267 | V | 97 | Very high | 81.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.5 | -168.1 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | V60 M61 A62 L199 I200 Q265 L269 L323 | V60-V267 PolarHBondContact O-N 3.35Å; M61-V267 VanDerWaalsContact CA-O 3.32Å; M61-V267 WeakPolarHBondContact CA-O 3.47Å; M61-V267 HydrophobicContact CB-CB 3.73Å; M61-V267 HydrophobicContact CB-CG1 4.29Å; M61-V267 HydrophobicContact CB-CG2 4.39Å; A62-V267 PolarHBondContact N-O 2.97Å; L199-V267 CarbonylContact O-C 3.27Å; L199-V267 WeakPolarHBondContact O-CA 3.29Å; I200-V267 HydrophobicContact CG1-CG1 3.92Å; I200-V267 HydrophobicContact CG1-CG2 4.22Å; I200-V267 HydrophobicContact CG2-CG2 4.37Å; Q265-V267 HydrophobicContact CB-CG2 4.31Å; V267-L269 HydrophobicContact CG1-CD2 3.54Å; V267-L269 HydrophobicContact CG1-CG 3.94Å; V267-L323 HydrophobicContact CG2-CD2 3.97Å |
| 268 | D | 95.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 101.6 | 169.6 | 176.1 | 35.6 | 0 | 0 | 0 | 108.4 | K70 S71 M74 R183 H198 L199 | K70-D268 WeakPolarHBondContact CB-OD1 3.4Å; S71-D268 PolarHBondContact N-OD1 2.95Å; S71-D268 PolarHBondContact OG-OD1 3.27Å; S71-D268 PolarHBondContact OG-OD2 3.41Å; M74-D268 HydrophobicContact CB-CB 4.24Å; M74-D268 HydrophobicContact CG-CB 4.08Å; R183-D268 IonicContact CZ-OD2 2.66Å; R183-D268 IonicContact NH1-OD2 3.4Å; R183-D268 PolarHBondContact NH1-OD2 3.1Å; R183-D268 VanDerWaalsContact NH1-OD2 3.15Å; R183-D268 IonicContact NH2-OD2 3.83Å; H198-D268 WeakPolarHBondContact CA-O 3.36Å; L199-D268 HydrophobicContact CB-CB 4.29Å; L199-D268 PolarHBondContact N-O 3.47Å; L199-D268 PolarHBondContact O-N 3.01Å |
| 269 | L | 94.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 154.8 | -176.4 | -63.2 | 174.2 | 0 | 0 | 0 | 111.6 | A62 Y63 K70 H198 V267 L295 L298 L319 | A62-L269 WeakPolarHBondContact O-CB 3.43Å; A62-L269 WeakPolarHBondContact O-CG 3.39Å; A62-L269 PolarHBondContact O-N 3.01Å; Y63-L269 HydrophobicContact CD2-CD1 3.75Å; Y63-L269 HydrophobicContact CG-CD1 4.44Å; K70-L269 WeakPolarHBondContact CD-O 3.5Å; K70-L269 WeakPolarHBondContact CE-O 3.24Å; H198-L269 HydrophobicContact CB-CD2 4.3Å; H198-L269 WeakPolarHBondContact ND1-CA 3.34Å; H198-L269 WeakPolarHBondContact ND1-CD2 3.39Å; V267-L269 HydrophobicContact CG1-CD2 3.54Å; V267-L269 HydrophobicContact CG1-CG 3.94Å; L269-L295 HydrophobicContact CB-CD2 4.35Å; L269-L295 HydrophobicContact CD1-CD2 4.36Å; L269-L298 HydrophobicContact CD1-CD2 3.8Å; L269-L319 HydrophobicContact CD2-CD1 4Å; L269-L319 HydrophobicContact CD2-CD2 3.99Å |
| 270 | A | 91.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 164.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S195 H198 I291 | S195-A270 WeakPolarHBondContact O-CA 3.36Å; S195-A270 WeakPolarHBondContact O-CB 3.4Å; H198-A270 VanDerWaalsContact CE1-CB 3.43Å; H198-A270 WeakPolarHBondContact CE1-CB 3.47Å; H198-A270 PolarHBondContact ND1-N 3.38Å; A270-I291 HydrophobicContact CB-CG2 3.58Å |
| 271 | G | 89 | Confident | 80.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 140.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T66 S195 E273 I291 L295 | T66-G271 WeakPolarHBondContact OG1-CA 3.44Å; S195-G271 PolarHBondContact O-N 3.38Å; G271-E273 VanDerWaalsContact C-N 3.32Å; G271-E273 WeakPolarHBondContact CA-OE2 3.39Å; G271-E273 PolarHBondContact O-N 3.07Å; G271-I291 WeakPolarHBondContact O-CG2 3.41Å; G271-L295 WeakPolarHBondContact O-CD1 3.38Å |
| 272 | S | 84.4 | Confident | 80.3 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | trans | -88 | 18.3 | 178.3 | 60.8 | 0 | 0 | 0 | 0 | 115 | Y63 G64 Q65 | Y63-S272 WeakPolarHBondContact OH-CB 3.28Å; G64-S272 PolarHBondContact O-N 3.1Å; Q65-S272 PolarHBondContact N-OG 2.94Å | ||
| 273 | E | 73.9 | Confident | 79.5 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | trans | -63.4 | 151.6 | -174.6 | 60.4 | -87.2 | -161.3 | 0 | 0 | 115 | T66 R196 G271 N292 | T66-E273 WeakPolarHBondContact CB-OE2 3.46Å; T66-E273 PolarHBondContact N-OE2 2.93Å; T66-E273 PolarHBondContact OG1-OE1 3.01Å; T66-E273 PolarHBondContact OG1-OE2 3.05Å; R196-E273 IonicContact CZ-OE1 3.32Å; R196-E273 IonicContact NH1-OE1 2.72Å; R196-E273 PolarHBondContact NH1-OE1 3.49Å; R196-E273 IonicContact NH2-OE1 3.95Å; R196-E273 PolarHBondContact NH2-OE1 3.09Å; G271-E273 VanDerWaalsContact C-N 3.32Å; G271-E273 WeakPolarHBondContact CA-OE2 3.39Å; G271-E273 PolarHBondContact O-N 3.07Å; E273-N292 PolarHBondContact O-ND2 3.24Å; E273-N292 PolarHBondContact O-OD1 2.85Å | ||
| 274 | C | 65 | Low | 78.5 | Confident | 41 Ų | 41 | 33.5 Ų | 33.5 | 28% | 0.277 | 24% | 0.244 | S | C | . | . | trans | -80.1 | 129.4 | 177.6 | -60 | 0 | 0 | 0 | 0 | 111.8 | G276 V277 | C274-G276 PolarHBondContact O-N 2.91Å; C274-G276 VanDerWaalsContact O-N 3.13Å; C274-V277 HydrophobicContact CB-CG2 4.27Å; C274-V277 PolarHBondContact O-N 3.49Å | ||
| 275 | I | 60.3 | Low | 77.7 | Confident | 60 Ų | 60 | 36.6 Ų | 36.6 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -51.6 | -36 | 175.8 | -68.4 | 162.5 | 0 | 0 | 0 | 112.7 | V277 S278 L285 T288 A289 | I275-V277 PolarHBondContact O-N 2.94Å; I275-S278 PolarHBondContact O-N 3.3Å; I275-S278 PolarHBondContact O-OG 3.36Å; I275-S278 VanDerWaalsContact O-OG 3.12Å; I275-L285 HydrophobicContact CG2-CD1 3.22Å; I275-T288 HydrophobicContact CD1-CG2 4.48Å; I275-T288 HydrophobicContact CG1-CG2 3.51Å; I275-A289 HydrophobicContact CD1-CB 4.15Å |
| 276 | G | 56.7 | Low | 76.8 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 81% | 0.814 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.9 | -18.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C274 | C274-G276 PolarHBondContact O-N 2.91Å; C274-G276 VanDerWaalsContact O-N 3.13Å |
| 277 | V | 56.3 | Low | 75.9 | Confident | 114 Ų | 114 | 45.7 Ų | 45.7 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -95.6 | -22.1 | -178.3 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | C274 I275 | C274-V277 HydrophobicContact CB-CG2 4.27Å; C274-V277 PolarHBondContact O-N 3.49Å; I275-V277 PolarHBondContact O-N 2.94Å |
| 278 | S | 61.9 | Low | 75 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -85.7 | -16.4 | -173.1 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | I275 V280 | I275-S278 PolarHBondContact O-N 3.3Å; I275-S278 PolarHBondContact O-OG 3.36Å; I275-S278 VanDerWaalsContact O-OG 3.12Å; S278-V280 PolarHBondContact O-N 3.2Å; S278-V280 VanDerWaalsContact O-N 3.07Å; S278-V280 WeakPolarHBondContact OG-CG2 3.4Å |
| 279 | G | 64.7 | Low | 74.4 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | trans | 62.9 | 12.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 280 | V | 69.6 | Low | 74 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | trans | -72 | 138.9 | -175.8 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | S278 A284 L285 | S278-V280 PolarHBondContact O-N 3.2Å; S278-V280 VanDerWaalsContact O-N 3.07Å; S278-V280 WeakPolarHBondContact OG-CG2 3.4Å; V280-A284 HydrophobicContact CB-CB 3.96Å; V280-A284 HydrophobicContact CG1-CB 4.3Å; V280-L285 HydrophobicContact CG2-CB 4.36Å; V280-L285 HydrophobicContact CG2-CD1 4.22Å | ||
| 281 | T | 72.8 | Confident | 73.7 | Confident | 113 Ų | 113 | 48.1 Ų | 48.1 | 69% | 0.693 | 31% | 0.313 | S | S | * | . | trans | -125.4 | 168.5 | 178.9 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | S283 A284 | T281-S283 PolarHBondContact O-N 3.31Å; T281-A284 PolarHBondContact O-N 3.41Å | ||
| 282 | G | 80.3 | Confident | 73.7 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 53% | 0.526 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | 63.2 | -129.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L285 R286 | G282-L285 WeakPolarHBondContact O-CB 3.4Å; G282-L285 PolarHBondContact O-N 3.27Å; G282-R286 PolarHBondContact O-N 3.19Å |
| 283 | S | 73.6 | Confident | 74 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | -178.1 | 46.8 | 0 | 0 | 0 | 0 | 113 | T281 L285 R286 E287 | T281-S283 PolarHBondContact O-N 3.31Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 2.9Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.48Å; S283-R286 VanDerWaalsContact O-N 3.11Å; S283-E287 PolarHBondContact O-N 2.88Å |
| 284 | A | 72.5 | Confident | 75 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V190 V280 T281 E287 T288 | V190-A284 HydrophobicContact CB-CB 3.71Å; V190-A284 HydrophobicContact CG1-CB 3.81Å; V190-A284 HydrophobicContact CG2-CB 3.57Å; V280-A284 HydrophobicContact CB-CB 3.96Å; V280-A284 HydrophobicContact CG1-CB 4.3Å; T281-A284 PolarHBondContact O-N 3.41Å; A284-E287 PolarHBondContact O-N 3.06Å; A284-T288 WeakPolarHBondContact O-CB 3.14Å; A284-T288 PolarHBondContact O-N 3.31Å; A284-T288 PolarHBondContact O-OG1 3.16Å |
| 285 | L | 78.1 | Confident | 76.3 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.356 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 173.9 | 179.4 | 63.4 | 0 | 0 | 0 | 111.3 | I275 V280 G282 S283 T288 A289 | I275-L285 HydrophobicContact CG2-CD1 3.22Å; V280-L285 HydrophobicContact CG2-CB 4.36Å; V280-L285 HydrophobicContact CG2-CD1 4.22Å; G282-L285 WeakPolarHBondContact O-CB 3.4Å; G282-L285 PolarHBondContact O-N 3.27Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 2.9Å; L285-T288 PolarHBondContact O-N 3.34Å; L285-A289 VanDerWaalsContact O-CB 3.29Å; L285-A289 WeakPolarHBondContact O-CB 3.35Å; L285-A289 PolarHBondContact O-N 3.27Å |
| 286 | R | 78.9 | Confident | 77.9 | Confident | 198 Ų | 198 | 54.3 Ų | 54.3 | 75% | 0.747 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -42 | 177.4 | -64.4 | 179 | -179.2 | 166 | 0.4 | 111.4 | G282 S283 A289 C290 | G282-R286 PolarHBondContact O-N 3.19Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.48Å; S283-R286 VanDerWaalsContact O-N 3.11Å; R286-A289 PolarHBondContact O-N 2.77Å; R286-C290 PolarHBondContact O-N 3.1Å |
| 287 | E | 77.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -52.2 | 175.5 | -175 | -173 | 158 | 0 | 0 | 111.5 | Y125 R196 S283 A284 A289 C290 I291 | Y125-E287 HydrophobicContact CE2-CG 3.84Å; Y125-E287 WeakPolarHBondContact CE2-OE1 3.5Å; Y125-E287 PolarHBondContact OH-OE1 3.28Å; Y125-E287 PolarHBondContact OH-OE2 3.09Å; R196-E287 VanDerWaalsContact CB-OE1 3.28Å; R196-E287 WeakPolarHBondContact CB-OE1 3.46Å; R196-E287 WeakPolarHBondContact CG-OE1 3.36Å; S283-E287 PolarHBondContact O-N 2.88Å; A284-E287 PolarHBondContact O-N 3.06Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.36Å; E287-C290 WeakPolarHBondContact O-CA 3.43Å; E287-C290 WeakPolarHBondContact O-CB 3.46Å; E287-C290 PolarHBondContact O-N 2.97Å; E287-I291 HydrophobicContact CG-CD1 4.36Å; E287-I291 PolarHBondContact O-N 2.93Å |
| 288 | T | 78.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 176.8 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | I275 A284 L285 C290 I291 N292 | I275-T288 HydrophobicContact CD1-CG2 4.48Å; I275-T288 HydrophobicContact CG1-CG2 3.51Å; A284-T288 WeakPolarHBondContact O-CB 3.14Å; A284-T288 PolarHBondContact O-N 3.31Å; A284-T288 PolarHBondContact O-OG1 3.16Å; L285-T288 PolarHBondContact O-N 3.34Å; T288-C290 VanDerWaalsContact C-N 3.31Å; T288-C290 PolarHBondContact O-N 2.93Å; T288-I291 PolarHBondContact O-N 3.31Å; T288-N292 WeakPolarHBondContact O-CB 3.45Å; T288-N292 PolarHBondContact O-N 2.88Å |
| 289 | A | 83.6 | Confident | 83 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 26% | 0.256 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I275 L285 R286 E287 R293 | I275-A289 HydrophobicContact CD1-CB 4.15Å; L285-A289 VanDerWaalsContact O-CB 3.29Å; L285-A289 WeakPolarHBondContact O-CB 3.35Å; L285-A289 PolarHBondContact O-N 3.27Å; R286-A289 PolarHBondContact O-N 2.77Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.36Å; A289-R293 VanDerWaalsContact O-CB 3.28Å; A289-R293 WeakPolarHBondContact O-CB 3.37Å; A289-R293 PolarHBondContact O-N 3.23Å |
| 290 | C | 85.5 | Confident | 84.4 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -43.3 | 176.9 | -160.4 | 0 | 0 | 0 | 0 | 112.1 | N126 R286 E287 T288 N292 R293 S294 | N126-C290 VanDerWaalsContact CA-SG 3.52Å; N126-C290 WeakPolarHBondContact OD1-CB 3.43Å; N126-C290 PolarHBondContact OD1-SG 3.11Å; R286-C290 PolarHBondContact O-N 3.1Å; E287-C290 WeakPolarHBondContact O-CA 3.43Å; E287-C290 WeakPolarHBondContact O-CB 3.46Å; E287-C290 PolarHBondContact O-N 2.97Å; T288-C290 VanDerWaalsContact C-N 3.31Å; T288-C290 PolarHBondContact O-N 2.93Å; C290-N292 PolarHBondContact O-N 3.1Å; C290-R293 WeakPolarHBondContact O-CB 3.3Å; C290-R293 PolarHBondContact O-N 3.39Å; C290-S294 PolarHBondContact O-N 3.46Å |
| 291 | I | 85.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -53.7 | 173.4 | -67.2 | 159.2 | 0 | 0 | 0 | 110.1 | R196 A270 G271 E287 T288 R293 S294 L295 | R196-I291 HydrophobicContact CB-CD1 3.87Å; R196-I291 HydrophobicContact CG-CD1 4.24Å; R196-I291 VanDerWaalsContact O-CD1 3.3Å; R196-I291 WeakPolarHBondContact O-CD1 3.38Å; R196-I291 WeakPolarHBondContact O-CG1 3.16Å; A270-I291 HydrophobicContact CB-CG2 3.58Å; G271-I291 WeakPolarHBondContact O-CG2 3.41Å; E287-I291 HydrophobicContact CG-CD1 4.36Å; E287-I291 PolarHBondContact O-N 2.93Å; T288-I291 PolarHBondContact O-N 3.31Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.23Å; I291-S294 PolarHBondContact O-N 2.84Å; I291-S294 VanDerWaalsContact O-N 3.1Å; I291-S294 PolarHBondContact O-OG 3.33Å; I291-L295 HydrophobicContact CG2-CD1 4.14Å; I291-L295 PolarHBondContact O-N 3.45Å; I291-L295 VanDerWaalsContact O-N 3.09Å |
| 292 | N | 88.2 | Confident | 86.4 | Confident | 36 Ų | 36 | 38.2 Ų | 38.2 | 19% | 0.193 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -34.3 | -179.5 | -76.9 | -23.8 | 0 | 0 | 0 | 112.8 | E273 T288 C290 L295 A296 | E273-N292 PolarHBondContact O-ND2 3.24Å; E273-N292 PolarHBondContact O-OD1 2.85Å; T288-N292 WeakPolarHBondContact O-CB 3.45Å; T288-N292 PolarHBondContact O-N 2.88Å; C290-N292 PolarHBondContact O-N 3.1Å; N292-L295 PolarHBondContact O-N 2.85Å; N292-A296 VanDerWaalsContact O-CB 3.23Å; N292-A296 WeakPolarHBondContact O-CB 3.34Å; N292-A296 PolarHBondContact O-N 2.83Å |
| 293 | R | 91.7 | Very high | 86.9 | Confident | 167 Ų | 167 | 36.1 Ų | 36.1 | 63% | 0.63 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.9 | -43.4 | 174 | -170.3 | -172.4 | -48.5 | -114.1 | -2.6 | 112.1 | A289 C290 I291 A296 A297 | A289-R293 VanDerWaalsContact O-CB 3.28Å; A289-R293 WeakPolarHBondContact O-CB 3.37Å; A289-R293 PolarHBondContact O-N 3.23Å; C290-R293 WeakPolarHBondContact O-CB 3.3Å; C290-R293 PolarHBondContact O-N 3.39Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.23Å; R293-A296 PolarHBondContact O-N 3.36Å; R293-A297 WeakPolarHBondContact O-CB 2.81Å; R293-A297 PolarHBondContact O-N 3.31Å |
| 294 | S | 93.7 | Very high | 87.8 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 178 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | H198 C290 I291 A297 L298 | H198-S294 PolarHBondContact NE2-OG 2.6Å; C290-S294 PolarHBondContact O-N 3.46Å; I291-S294 PolarHBondContact O-N 2.84Å; I291-S294 VanDerWaalsContact O-N 3.1Å; I291-S294 PolarHBondContact O-OG 3.33Å; S294-A297 PolarHBondContact O-N 2.84Å; S294-L298 PolarHBondContact O-N 2.83Å |
| 295 | L | 93.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.6 | -34.8 | 176.3 | -65.2 | 177.2 | 0 | 0 | 0 | 112.6 | Y63 L269 G271 I291 N292 L298 A299 | Y63-L295 HydrophobicContact CD2-CD2 4.34Å; Y63-L295 HydrophobicContact CE2-CD2 4Å; L269-L295 HydrophobicContact CB-CD2 4.35Å; L269-L295 HydrophobicContact CD1-CD2 4.36Å; G271-L295 WeakPolarHBondContact O-CD1 3.38Å; I291-L295 HydrophobicContact CG2-CD1 4.14Å; I291-L295 PolarHBondContact O-N 3.45Å; I291-L295 VanDerWaalsContact O-N 3.09Å; N292-L295 PolarHBondContact O-N 2.85Å; L295-L298 WeakPolarHBondContact O-CB 3.36Å; L295-L298 PolarHBondContact O-N 2.85Å; L295-A299 PolarHBondContact O-N 2.77Å |
| 296 | A | 92.7 | Very high | 89 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.7 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | N292 R293 L298 A299 D300 | N292-A296 VanDerWaalsContact O-CB 3.23Å; N292-A296 WeakPolarHBondContact O-CB 3.34Å; N292-A296 PolarHBondContact O-N 2.83Å; R293-A296 PolarHBondContact O-N 3.36Å; A296-L298 PolarHBondContact O-N 3.25Å; A296-A299 CarbonylContact O-C 3.56Å; A296-A299 WeakPolarHBondContact O-CB 3.46Å; A296-A299 PolarHBondContact O-N 3.12Å; A296-D300 VanDerWaalsContact O-CG 3.28Å; A296-D300 PolarHBondContact O-N 2.98Å |
| 297 | A | 94.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.7 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R293 S294 D300 V301 N316 T320 | R293-A297 WeakPolarHBondContact O-CB 2.81Å; R293-A297 PolarHBondContact O-N 3.31Å; S294-A297 PolarHBondContact O-N 2.84Å; A297-D300 PolarHBondContact O-N 2.83Å; A297-V301 WeakPolarHBondContact O-CG2 3.35Å; A297-V301 PolarHBondContact O-N 3.23Å; A297-N316 HydrophobicContact CB-CB 3.87Å; A297-T320 HydrophobicContact CB-CG2 4.09Å |
| 298 | L | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -45 | 174.3 | -178.9 | 63.9 | 0 | 0 | 0 | 112 | L269 S294 L295 A296 D300 V301 L302 L319 T320 L327 F355 | L269-L298 HydrophobicContact CD1-CD2 3.8Å; S294-L298 PolarHBondContact O-N 2.83Å; L295-L298 WeakPolarHBondContact O-CB 3.36Å; L295-L298 PolarHBondContact O-N 2.85Å; A296-L298 PolarHBondContact O-N 3.25Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 3.15Å; L298-V301 PolarHBondContact O-N 3.07Å; L298-L302 WeakPolarHBondContact O-CG 3.46Å; L298-L302 PolarHBondContact O-N 2.99Å; L298-L302 VanDerWaalsContact O-N 3.1Å; L298-L319 HydrophobicContact CD2-CD2 4.49Å; L298-T320 VanDerWaalsContact CA-CG2 3.42Å; L298-T320 HydrophobicContact CB-CG2 3.98Å; L298-T320 HydrophobicContact CD1-CG2 4.2Å; L298-L327 HydrophobicContact CD1-CD1 3.39Å; L298-L327 HydrophobicContact CD1-CD2 3.85Å; L298-L327 HydrophobicContact CD1-CG 4.27Å; L298-F355 HydrophobicContact CD2-CE2 4.05Å; L298-F355 HydrophobicContact CD2-CZ 3.81Å; L298-F355 HydrophobicContact CG-CE2 3.98Å; L298-F355 HydrophobicContact CG-CZ 4.01Å |
| 299 | A | 92.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L295 A296 L302 G303 F355 | L295-A299 PolarHBondContact O-N 2.77Å; A296-A299 CarbonylContact O-C 3.56Å; A296-A299 WeakPolarHBondContact O-CB 3.46Å; A296-A299 PolarHBondContact O-N 3.12Å; A299-L302 PolarHBondContact O-N 2.91Å; A299-G303 PolarHBondContact O-N 3.49Å; A299-F355 HydrophobicContact CB-CD2 4.07Å; A299-F355 HydrophobicContact CB-CE2 4.31Å |
| 300 | D | 94.1 | Very high | 91 | Very high | 88 Ų | 88 | 45.1 Ų | 45.1 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.2 | -68.5 | -22.6 | 0 | 0 | 0 | 111.7 | A296 A297 L298 G303 A304 P313 | A296-D300 VanDerWaalsContact O-CG 3.28Å; A296-D300 PolarHBondContact O-N 2.98Å; A297-D300 PolarHBondContact O-N 2.83Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 3.15Å; D300-G303 PolarHBondContact O-N 3.49Å; D300-A304 VanDerWaalsContact O-CB 3.24Å; D300-A304 WeakPolarHBondContact O-CB 3.35Å; D300-A304 PolarHBondContact O-N 2.89Å; D300-P313 HydrophobicContact CB-CG 4.32Å |
| 301 | V | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 174.2 | 164.2 | 0 | 0 | 0 | 0 | 110.8 | A297 L298 G303 A304 L305 I312 P313 Y314 T320 L327 | A297-V301 WeakPolarHBondContact O-CG2 3.35Å; A297-V301 PolarHBondContact O-N 3.23Å; L298-V301 PolarHBondContact O-N 3.07Å; V301-G303 PolarHBondContact O-N 3.33Å; V301-A304 PolarHBondContact O-N 3.19Å; V301-L305 HydrophobicContact CG1-CD1 3.91Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.31Å; V301-L305 WeakPolarHBondContact O-CG 3.38Å; V301-L305 PolarHBondContact O-N 3.46Å; V301-I312 HydrophobicContact CB-CG2 4.38Å; V301-I312 HydrophobicContact CG1-CG2 3.9Å; V301-I312 HydrophobicContact CG2-CG2 4.33Å; V301-P313 HydrophobicContact CG2-CG 4.1Å; V301-Y314 HydrophobicContact CG1-CD1 3.74Å; V301-Y314 HydrophobicContact CG1-CE1 3.4Å; V301-Y314 HydrophobicContact CG2-CD1 4.11Å; V301-T320 HydrophobicContact CB-CG2 4.47Å; V301-T320 HydrophobicContact CG2-CG2 3.91Å; V301-L327 HydrophobicContact CG1-CB 4.22Å; V301-L327 HydrophobicContact CG1-CD1 4.07Å |
| 302 | L | 90.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.8 | -68.4 | 173.7 | 0 | 0 | 0 | 111.9 | L298 A299 L305 S306 L327 F355 R358 A359 V362 | L298-L302 WeakPolarHBondContact O-CG 3.46Å; L298-L302 PolarHBondContact O-N 2.99Å; L298-L302 VanDerWaalsContact O-N 3.1Å; A299-L302 PolarHBondContact O-N 2.91Å; L302-L305 WeakPolarHBondContact O-CB 3.38Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-S306 PolarHBondContact O-N 3.28Å; L302-S306 PolarHBondContact O-OG 2.91Å; L302-L327 HydrophobicContact CD2-CD2 4.06Å; L302-F355 HydrophobicContact CD1-CD2 4.34Å; L302-F355 HydrophobicContact CD1-CE1 3.91Å; L302-F355 HydrophobicContact CD1-CE2 3.58Å; L302-F355 HydrophobicContact CD1-CZ 3.33Å; L302-R358 HydrophobicContact CB-CB 4.48Å; L302-A359 HydrophobicContact CD1-CB 4.01Å; L302-V362 HydrophobicContact CB-CG2 4.4Å; L302-V362 HydrophobicContact CD2-CG2 3.94Å; L302-V362 WeakPolarHBondContact O-CG2 3.28Å |
| 303 | G | 90.9 | Very high | 92 | Very high | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A299 D300 V301 L305 S306 E307 | A299-G303 PolarHBondContact O-N 3.49Å; D300-G303 PolarHBondContact O-N 3.49Å; V301-G303 PolarHBondContact O-N 3.33Å; G303-L305 VanDerWaalsContact C-N 3.28Å; G303-L305 PolarHBondContact O-N 3.37Å; G303-S306 WeakPolarHBondContact CA-OG 3.23Å; G303-S306 PolarHBondContact O-N 3Å; G303-S306 PolarHBondContact O-OG 3.32Å; G303-E307 WeakPolarHBondContact O-CB 3.42Å; G303-E307 VanDerWaalsContact O-CG 3.29Å; G303-E307 WeakPolarHBondContact O-CG 3.43Å; G303-E307 PolarHBondContact O-N 2.84Å |
| 304 | A | 92.1 | Very high | 92 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D300 V301 H308 R309 I312 | D300-A304 VanDerWaalsContact O-CB 3.24Å; D300-A304 WeakPolarHBondContact O-CB 3.35Å; D300-A304 PolarHBondContact O-N 2.89Å; V301-A304 PolarHBondContact O-N 3.19Å; A304-H308 PolarHBondContact O-N 3.42Å; A304-R309 HydrophobicContact CB-CB 4.27Å; A304-R309 HydrophobicContact CB-CG 4.28Å; A304-R309 PolarHBondContact O-N 2.97Å; A304-I312 HydrophobicContact CB-CD1 3.74Å; A304-I312 HydrophobicContact CB-CG2 4.35Å; A304-I312 WeakPolarHBondContact O-CD1 3.39Å |
| 305 | L | 89.4 | Confident | 91.9 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 175.4 | -79.5 | 168.5 | 0 | 0 | 0 | 112.2 | V301 L302 G303 E307 H308 I312 Y314 L327 V362 | V301-L305 HydrophobicContact CG1-CD1 3.91Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.31Å; V301-L305 WeakPolarHBondContact O-CG 3.38Å; V301-L305 PolarHBondContact O-N 3.46Å; L302-L305 WeakPolarHBondContact O-CB 3.38Å; L302-L305 PolarHBondContact O-N 3.37Å; G303-L305 VanDerWaalsContact C-N 3.28Å; G303-L305 PolarHBondContact O-N 3.37Å; L305-E307 PolarHBondContact O-N 2.93Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.09Å; L305-I312 HydrophobicContact CD2-CD1 4.07Å; L305-I312 HydrophobicContact CD2-CG1 4.08Å; L305-I312 HydrophobicContact CD2-CG2 4.46Å; L305-I312 HydrophobicContact CG-CD1 4.2Å; L305-I312 HydrophobicContact CG-CG1 4.44Å; L305-I312 HydrophobicContact CG-CG2 4.08Å; L305-Y314 WeakPolarHBondContact CD2-OH 3.38Å; L305-L327 HydrophobicContact CD1-CB 4.45Å; L305-L327 VanDerWaalsContact CD1-O 3.28Å; L305-L327 WeakPolarHBondContact CD1-O 3.34Å; L305-V362 HydrophobicContact CB-CG1 3.99Å; L305-V362 HydrophobicContact CB-CG2 3.84Å; L305-V362 HydrophobicContact CD1-CG1 4.31Å |
| 306 | S | 86.2 | Confident | 91.9 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -29.6 | 178.1 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | L302 G303 H308 | L302-S306 PolarHBondContact O-N 3.28Å; L302-S306 PolarHBondContact O-OG 2.91Å; G303-S306 WeakPolarHBondContact CA-OG 3.23Å; G303-S306 PolarHBondContact O-N 3Å; G303-S306 PolarHBondContact O-OG 3.32Å; S306-H308 VanDerWaalsContact C-N 3.32Å |
| 307 | E | 89.7 | Confident | 92 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 52% | 0.523 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.5 | 176.9 | -68.1 | 173.9 | -151 | 0 | 0 | 113.3 | G303 L305 R309 | G303-E307 WeakPolarHBondContact O-CB 3.42Å; G303-E307 VanDerWaalsContact O-CG 3.29Å; G303-E307 WeakPolarHBondContact O-CG 3.43Å; G303-E307 PolarHBondContact O-N 2.84Å; L305-E307 PolarHBondContact O-N 2.93Å; E307-R309 HydrophobicContact CB-CG 3.99Å; E307-R309 PolarHBondContact O-N 3.49Å; E307-R309 IonicContact OE1-NH2 3.15Å; E307-R309 PolarHBondContact OE1-NH2 3.3Å; E307-R309 VanDerWaalsContact OE1-NH2 3.08Å; E307-R309 IonicContact OE2-CZ 3.09Å; E307-R309 IonicContact OE2-NE 3.42Å; E307-R309 PolarHBondContact OE2-NE 3.13Å; E307-R309 IonicContact OE2-NH2 2.92Å; E307-R309 PolarHBondContact OE2-NH2 3.1Å |
| 308 | H | 88.4 | Confident | 91.8 | Very high | 130 Ų | 130 | 57.9 Ų | 57.9 | 60% | 0.602 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.7 | -176.7 | -55.8 | -65 | 0 | 0 | 0 | 113.6 | A304 L305 S306 | A304-H308 PolarHBondContact O-N 3.42Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.09Å; S306-H308 VanDerWaalsContact C-N 3.32Å |
| 309 | R | 91.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 57.9 Ų | 57.9 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | trans | -64.2 | 144.5 | 177.5 | -61.3 | -172.2 | -170.8 | 171.4 | 4.1 | 110.2 | A304 E307 H311 I312 | A304-R309 HydrophobicContact CB-CB 4.27Å; A304-R309 HydrophobicContact CB-CG 4.28Å; A304-R309 PolarHBondContact O-N 2.97Å; E307-R309 HydrophobicContact CB-CG 3.99Å; E307-R309 PolarHBondContact O-N 3.49Å; E307-R309 IonicContact OE1-NH2 3.15Å; E307-R309 PolarHBondContact OE1-NH2 3.3Å; E307-R309 VanDerWaalsContact OE1-NH2 3.08Å; E307-R309 IonicContact OE2-CZ 3.09Å; E307-R309 IonicContact OE2-NE 3.42Å; E307-R309 PolarHBondContact OE2-NE 3.13Å; E307-R309 IonicContact OE2-NH2 2.92Å; E307-R309 PolarHBondContact OE2-NH2 3.1Å; R309-H311 VanDerWaalsContact C-N 3.27Å; R309-H311 PolarHBondContact O-N 2.66Å; R309-I312 HydrophobicContact CB-CD1 4.38Å; R309-I312 WeakPolarHBondContact O-CD1 3.39Å | ||
| 310 | S | 90.3 | Very high | 91.8 | Very high | 136 Ų | 136 | 57.3 Ų | 57.3 | 95% | 0.951 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -64.4 | -31.7 | 178.7 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 311 | H | 93.4 | Very high | 91.6 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -116.1 | 121.8 | 176.6 | 175 | -88.2 | 0 | 0 | 0 | 110.1 | R309 | R309-H311 VanDerWaalsContact C-N 3.27Å; R309-H311 PolarHBondContact O-N 2.66Å |
| 312 | I | 93.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | trans | -103.6 | 125.4 | 175.1 | -47.8 | -58.8 | 0 | 0 | 0 | 109.4 | V301 A304 L305 R309 Y314 | V301-I312 HydrophobicContact CB-CG2 4.38Å; V301-I312 HydrophobicContact CG1-CG2 3.9Å; V301-I312 HydrophobicContact CG2-CG2 4.33Å; A304-I312 HydrophobicContact CB-CD1 3.74Å; A304-I312 HydrophobicContact CB-CG2 4.35Å; A304-I312 WeakPolarHBondContact O-CD1 3.39Å; L305-I312 HydrophobicContact CD2-CD1 4.07Å; L305-I312 HydrophobicContact CD2-CG1 4.08Å; L305-I312 HydrophobicContact CD2-CG2 4.46Å; L305-I312 HydrophobicContact CG-CD1 4.2Å; L305-I312 HydrophobicContact CG-CG1 4.44Å; L305-I312 HydrophobicContact CG-CG2 4.08Å; R309-I312 HydrophobicContact CB-CD1 4.38Å; R309-I312 WeakPolarHBondContact O-CD1 3.39Å; I312-Y314 VanDerWaalsContact C-N 3.25Å; I312-Y314 HydrophobicContact CB-CD2 3.98Å; I312-Y314 HydrophobicContact CB-CE2 3.44Å; I312-Y314 VanDerWaalsContact CB-CE2 3.44Å; I312-Y314 HydrophobicContact CG1-CE2 4.19Å; I312-Y314 HydrophobicContact CG2-CD1 4.25Å; I312-Y314 HydrophobicContact CG2-CD2 4Å; I312-Y314 HydrophobicContact CG2-CE1 3.75Å; I312-Y314 HydrophobicContact CG2-CE2 3.49Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.49Å; I312-Y314 HydrophobicContact CG2-CG 4.34Å; I312-Y314 WeakPolarHBondContact CG2-OH 3.31Å; I312-Y314 PolarHBondContact O-N 3.46Å | ||
| 313 | P | 94.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | trans | -82.5 | 51.2 | -169.2 | 34.8 | -38 | 0 | 0 | 0 | 114.1 | D300 V301 R315 N316 | D300-P313 HydrophobicContact CB-CG 4.32Å; V301-P313 HydrophobicContact CG2-CG 4.1Å; P313-R315 PolarHBondContact O-N 2.85Å; P313-N316 HydrophobicContact CB-CB 4.48Å; P313-N316 WeakPolarHBondContact O-CB 3.5Å; P313-N316 PolarHBondContact O-N 3.09Å; P313-N316 VanDerWaalsContact O-N 3.1Å | ||
| 314 | Y | 91.9 | Very high | 91.3 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -56.6 | -28.6 | -179.7 | -62.8 | -68.2 | 0 | 0 | 0 | 113.5 | V301 L305 I312 N316 T320 H321 Q324 L327 G328 | V301-Y314 HydrophobicContact CG1-CD1 3.74Å; V301-Y314 HydrophobicContact CG1-CE1 3.4Å; V301-Y314 HydrophobicContact CG2-CD1 4.11Å; L305-Y314 WeakPolarHBondContact CD2-OH 3.38Å; I312-Y314 VanDerWaalsContact C-N 3.25Å; I312-Y314 HydrophobicContact CB-CD2 3.98Å; I312-Y314 HydrophobicContact CB-CE2 3.44Å; I312-Y314 VanDerWaalsContact CB-CE2 3.44Å; I312-Y314 HydrophobicContact CG1-CE2 4.19Å; I312-Y314 HydrophobicContact CG2-CD1 4.25Å; I312-Y314 HydrophobicContact CG2-CD2 4Å; I312-Y314 HydrophobicContact CG2-CE1 3.75Å; I312-Y314 HydrophobicContact CG2-CE2 3.49Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.49Å; I312-Y314 HydrophobicContact CG2-CG 4.34Å; I312-Y314 WeakPolarHBondContact CG2-OH 3.31Å; I312-Y314 PolarHBondContact O-N 3.46Å; Y314-N316 VanDerWaalsContact C-N 3.3Å; Y314-N316 PolarHBondContact O-N 2.78Å; Y314-T320 CarbonylContact O-C 3.57Å; Y314-T320 VanDerWaalsContact O-C 3.27Å; Y314-T320 VanDerWaalsContact O-CB 3.31Å; Y314-T320 WeakPolarHBondContact O-CB 3.43Å; Y314-T320 PolarHBondContact O-OG1 3.45Å; Y314-H321 WeakPolarHBondContact O-CA 3.31Å; Y314-H321 PolarHBondContact O-N 3.36Å; Y314-Q324 HydrophobicContact CD1-CB 3.82Å; Y314-Q324 HydrophobicContact CD1-CG 3.75Å; Y314-Q324 HydrophobicContact CD2-CG 3.68Å; Y314-Q324 HydrophobicContact CE1-CB 4.38Å; Y314-Q324 HydrophobicContact CE1-CG 4.08Å; Y314-Q324 HydrophobicContact CE2-CG 3.98Å; Y314-Q324 HydrophobicContact CG-CB 3.94Å; Y314-Q324 HydrophobicContact CG-CG 3.57Å; Y314-L327 HydrophobicContact CE1-CB 4.17Å; Y314-G328 WeakPolarHBondContact OH-CA 3.38Å |
| 315 | R | 91.9 | Very high | 90.8 | Very high | 177 Ų | 177 | 57.8 Ų | 57.8 | 67% | 0.668 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -81.1 | -3.3 | -177.3 | -65.3 | -176 | 173.1 | -176.3 | -3.2 | 114.5 | T150 P313 S317 | T150-R315 PolarHBondContact OG1-NH2 3.44Å; T150-R315 VanDerWaalsContact OG1-NH2 3.13Å; P313-R315 PolarHBondContact O-N 2.85Å; R315-S317 PolarHBondContact O-N 3.05Å |
| 316 | N | 92.9 | Very high | 90.4 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -68.2 | -16.7 | -179.2 | -78.3 | 12.2 | 0 | 0 | 0 | 113.5 | A297 P313 Y314 | A297-N316 HydrophobicContact CB-CB 3.87Å; P313-N316 HydrophobicContact CB-CB 4.48Å; P313-N316 WeakPolarHBondContact O-CB 3.5Å; P313-N316 PolarHBondContact O-N 3.09Å; P313-N316 VanDerWaalsContact O-N 3.1Å; Y314-N316 VanDerWaalsContact C-N 3.3Å; Y314-N316 PolarHBondContact O-N 2.78Å |
| 317 | S | 93.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -150 | 157.9 | 168.9 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | N127 R315 L319 T320 H321 | N127-S317 WeakPolarHBondContact OD1-CA 3.15Å; R315-S317 PolarHBondContact O-N 3.05Å; S317-L319 PolarHBondContact O-N 2.97Å; S317-T320 PolarHBondContact N-OG1 3.06Å; S317-T320 PolarHBondContact O-N 3.06Å; S317-T320 PolarHBondContact O-OG1 3.47Å; S317-T320 WeakPolarHBondContact OG-CG2 3.38Å; S317-T320 PolarHBondContact OG-N 3.46Å; S317-T320 PolarHBondContact OG-OG1 2.67Å; S317-H321 WeakPolarHBondContact O-CB 3.46Å; S317-H321 PolarHBondContact O-N 3.21Å |
| 318 | R | 91.8 | Very high | 89.3 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -31.1 | 172.9 | -68.1 | -54.2 | -172.1 | 169.2 | 5 | 112.3 | V124 N127 I129 E147 V148 H321 L322 | V124-R318 HydrophobicContact CG1-CB 4.46Å; N127-R318 WeakPolarHBondContact O-CG 3.36Å; N127-R318 PolarHBondContact OD1-N 3.03Å; I129-R318 HydrophobicContact CD1-CB 3.78Å; I129-R318 HydrophobicContact CD1-CG 4.35Å; I129-R318 HydrophobicContact CG1-CB 4.18Å; E147-R318 IonicContact OE1-NH2 2.71Å; V148-R318 PolarHBondContact O-NH1 2.95Å; R318-H321 PolarHBondContact O-N 2.83Å; R318-L322 VanDerWaalsContact O-CB 3.3Å; R318-L322 WeakPolarHBondContact O-CB 3.31Å; R318-L322 PolarHBondContact O-N 3.48Å |
| 319 | L | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -55.3 | 173.7 | 175.9 | 66.2 | 0 | 0 | 0 | 111.3 | V124 H198 I200 L269 L298 S317 H321 L322 L323 | V124-L319 HydrophobicContact CG1-CB 4.42Å; H198-L319 HydrophobicContact CB-CD1 4.09Å; I200-L319 HydrophobicContact CD1-CD1 3.97Å; L269-L319 HydrophobicContact CD2-CD1 4Å; L269-L319 HydrophobicContact CD2-CD2 3.99Å; L298-L319 HydrophobicContact CD2-CD2 4.49Å; S317-L319 PolarHBondContact O-N 2.97Å; L319-H321 VanDerWaalsContact C-N 3.25Å; L319-H321 PolarHBondContact O-N 3.44Å; L319-L322 PolarHBondContact O-N 2.86Å; L319-L323 HydrophobicContact CD1-CD1 3.69Å; L319-L323 HydrophobicContact CD1-CG 4.26Å; L319-L323 HydrophobicContact CG-CD1 4.09Å; L319-L323 WeakPolarHBondContact O-CB 3.34Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 3.42Å |
| 320 | T | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -30.1 | -179.3 | 47 | 0 | 0 | 0 | 0 | 112.8 | A297 L298 V301 Y314 S317 Q324 | A297-T320 HydrophobicContact CB-CG2 4.09Å; L298-T320 VanDerWaalsContact CA-CG2 3.42Å; L298-T320 HydrophobicContact CB-CG2 3.98Å; L298-T320 HydrophobicContact CD1-CG2 4.2Å; V301-T320 HydrophobicContact CB-CG2 4.47Å; V301-T320 HydrophobicContact CG2-CG2 3.91Å; Y314-T320 CarbonylContact O-C 3.57Å; Y314-T320 VanDerWaalsContact O-C 3.27Å; Y314-T320 VanDerWaalsContact O-CB 3.31Å; Y314-T320 WeakPolarHBondContact O-CB 3.43Å; Y314-T320 PolarHBondContact O-OG1 3.45Å; S317-T320 PolarHBondContact N-OG1 3.06Å; S317-T320 PolarHBondContact O-N 3.06Å; S317-T320 PolarHBondContact O-OG1 3.47Å; S317-T320 WeakPolarHBondContact OG-CG2 3.38Å; S317-T320 PolarHBondContact OG-N 3.46Å; S317-T320 PolarHBondContact OG-OG1 2.67Å; T320-Q324 PolarHBondContact O-N 2.93Å |
| 321 | H | 90.9 | Very high | 87.3 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -49.3 | 175.2 | -165.3 | -177 | 0 | 0 | 0 | 109.7 | V148 T150 T156 Y314 S317 R318 L319 L323 Q324 | V148-H321 HydrophobicContact CG1-CB 4.42Å; V148-H321 WeakPolarHBondContact CG1-CE1 3.2Å; V148-H321 VanDerWaalsContact CG1-ND1 3.31Å; V148-H321 WeakPolarHBondContact CG1-ND1 3.5Å; T150-H321 PolarHBondContact OG1-NE2 2.84Å; T156-H321 WeakPolarHBondContact CG2-O 3.43Å; T156-H321 PolarHBondContact OG1-CD2 2.8Å; T156-H321 VanDerWaalsContact OG1-CD2 3.27Å; T156-H321 PolarHBondContact OG1-O 2.94Å; Y314-H321 WeakPolarHBondContact O-CA 3.31Å; Y314-H321 PolarHBondContact O-N 3.36Å; S317-H321 WeakPolarHBondContact O-CB 3.46Å; S317-H321 PolarHBondContact O-N 3.21Å; R318-H321 PolarHBondContact O-N 2.83Å; L319-H321 VanDerWaalsContact C-N 3.25Å; L319-H321 PolarHBondContact O-N 3.44Å; H321-L323 VanDerWaalsContact C-N 3.27Å; H321-L323 PolarHBondContact O-N 2.82Å; H321-Q324 WeakPolarHBondContact O-CB 3.41Å; H321-Q324 PolarHBondContact O-N 3.01Å; H321-Q324 VanDerWaalsContact O-N 3.09Å |
| 322 | L | 89.8 | Confident | 87.1 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -34.2 | 178.2 | -175 | 57.1 | 0 | 0 | 0 | 113.1 | V122 V124 I129 V158 I200 R318 L319 | V122-L322 HydrophobicContact CB-CD2 4.41Å; V122-L322 HydrophobicContact CG1-CD2 3.84Å; V124-L322 HydrophobicContact CG2-CD2 4.26Å; I129-L322 HydrophobicContact CD1-CD2 4.46Å; V158-L322 HydrophobicContact CG2-CD1 3.53Å; I200-L322 HydrophobicContact CD1-CD2 3.42Å; I200-L322 VanDerWaalsContact CD1-CD2 3.42Å; I200-L322 HydrophobicContact CD1-CG 4.14Å; R318-L322 VanDerWaalsContact O-CB 3.3Å; R318-L322 WeakPolarHBondContact O-CB 3.31Å; R318-L322 PolarHBondContact O-N 3.48Å; L319-L322 PolarHBondContact O-N 2.86Å |
| 323 | L | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.8 | 178.2 | -62.5 | 179 | 0 | 0 | 0 | 113.6 | M61 I200 V267 L319 H321 D325 C326 L327 | M61-L323 HydrophobicContact CE-CD1 4.29Å; I200-L323 HydrophobicContact CD1-CD2 4.27Å; V267-L323 HydrophobicContact CG2-CD2 3.97Å; L319-L323 HydrophobicContact CD1-CD1 3.69Å; L319-L323 HydrophobicContact CD1-CG 4.26Å; L319-L323 HydrophobicContact CG-CD1 4.09Å; L319-L323 WeakPolarHBondContact O-CB 3.34Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 3.42Å; H321-L323 VanDerWaalsContact C-N 3.27Å; H321-L323 PolarHBondContact O-N 2.82Å; L323-D325 VanDerWaalsContact C-N 3.29Å; L323-D325 PolarHBondContact O-N 3.02Å; L323-C326 PolarHBondContact O-N 2.71Å; L323-L327 HydrophobicContact CB-CD1 3.63Å; L323-L327 HydrophobicContact CB-CG 3.92Å; L323-L327 WeakPolarHBondContact O-CB 2.99Å; L323-L327 WeakPolarHBondContact O-CG 3.49Å; L323-L327 PolarHBondContact O-N 2.98Å |
| 324 | Q | 89 | Confident | 86.8 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.5 | -46.8 | -175.4 | 173.6 | 178.8 | -40.6 | 0 | 0 | 112.2 | Y314 T320 H321 C326 L327 G328 G329 | Y314-Q324 HydrophobicContact CD1-CB 3.82Å; Y314-Q324 HydrophobicContact CD1-CG 3.75Å; Y314-Q324 HydrophobicContact CD2-CG 3.68Å; Y314-Q324 HydrophobicContact CE1-CB 4.38Å; Y314-Q324 HydrophobicContact CE1-CG 4.08Å; Y314-Q324 HydrophobicContact CE2-CG 3.98Å; Y314-Q324 HydrophobicContact CG-CB 3.94Å; Y314-Q324 HydrophobicContact CG-CG 3.57Å; T320-Q324 PolarHBondContact O-N 2.93Å; H321-Q324 WeakPolarHBondContact O-CB 3.41Å; H321-Q324 PolarHBondContact O-N 3.01Å; H321-Q324 VanDerWaalsContact O-N 3.09Å; Q324-C326 PolarHBondContact O-N 2.84Å; Q324-L327 PolarHBondContact O-N 2.92Å; Q324-G328 PolarHBondContact O-N 3.04Å; Q324-G329 PolarHBondContact O-N 3.27Å |
| 325 | D | 82.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -27.1 | -178.8 | -69.1 | 4.6 | 0 | 0 | 0 | 112 | R263 L323 G329 | R263-D325 IonicContact NH1-OD2 2.69Å; L323-D325 VanDerWaalsContact C-N 3.29Å; L323-D325 PolarHBondContact O-N 3.02Å; D325-G329 CarbonylContact O-C 3.57Å; D325-G329 WeakPolarHBondContact O-CA 3.49Å; D325-G329 PolarHBondContact O-N 2.96Å |
| 326 | C | 80.6 | Confident | 87 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -95.5 | -29.7 | -178.7 | -73.2 | 0 | 0 | 0 | 0 | 113.9 | C59 Q265 L323 Q324 A331 R364 | C59-C326 HydrophobicContact CB-CB 3.63Å; Q265-C326 PolarHBondContact OE1-SG 2.66Å; L323-C326 PolarHBondContact O-N 2.71Å; Q324-C326 PolarHBondContact O-N 2.84Å; C326-A331 HydrophobicContact CB-CB 4.44Å; C326-R364 PolarHBondContact O-NH1 2.91Å; C326-R364 PolarHBondContact O-NH2 3.17Å |
| 327 | L | 81.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -82 | -47 | 178.9 | -66.6 | 171.1 | 0 | 0 | 0 | 111.4 | M61 L298 V301 L302 L305 Y314 L323 Q324 L333 R364 | M61-L327 HydrophobicContact CE-CD2 4.06Å; L298-L327 HydrophobicContact CD1-CD1 3.39Å; L298-L327 HydrophobicContact CD1-CD2 3.85Å; L298-L327 HydrophobicContact CD1-CG 4.27Å; V301-L327 HydrophobicContact CG1-CB 4.22Å; V301-L327 HydrophobicContact CG1-CD1 4.07Å; L302-L327 HydrophobicContact CD2-CD2 4.06Å; L305-L327 HydrophobicContact CD1-CB 4.45Å; L305-L327 VanDerWaalsContact CD1-O 3.28Å; L305-L327 WeakPolarHBondContact CD1-O 3.34Å; Y314-L327 HydrophobicContact CE1-CB 4.17Å; L323-L327 HydrophobicContact CB-CD1 3.63Å; L323-L327 HydrophobicContact CB-CG 3.92Å; L323-L327 WeakPolarHBondContact O-CB 2.99Å; L323-L327 WeakPolarHBondContact O-CG 3.49Å; L323-L327 PolarHBondContact O-N 2.98Å; Q324-L327 PolarHBondContact O-N 2.92Å; L327-L333 HydrophobicContact CD2-CD2 4.3Å; L327-R364 PolarHBondContact O-NH2 3.07Å |
| 328 | G | 71.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 26.8 Ų | 26.8 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -17.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y314 Q324 | Y314-G328 WeakPolarHBondContact OH-CA 3.38Å; Q324-G328 PolarHBondContact O-N 3.04Å |
| 329 | G | 70.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 26.3 Ų | 26.3 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -89.2 | -165.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q324 D325 A331 | Q324-G329 PolarHBondContact O-N 3.27Å; D325-G329 CarbonylContact O-C 3.57Å; D325-G329 WeakPolarHBondContact O-CA 3.49Å; D325-G329 PolarHBondContact O-N 2.96Å; G329-A331 PolarHBondContact O-N 3.45Å; G329-A331 VanDerWaalsContact O-N 3.15Å |
| 330 | D | 75.2 | Confident | 87 | Confident | 53 Ų | 53 | 27.2 Ų | 27.2 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -85.6 | 85.8 | -177.8 | -158.1 | -27.1 | 0 | 0 | 0 | 111.2 | N57 A367 R368 | N57-D330 WeakPolarHBondContact CB-O 3.31Å; N57-D330 PolarHBondContact ND2-O 2.81Å; D330-A367 VanDerWaalsContact OD1-C 3.26Å; D330-A367 WeakPolarHBondContact OD1-CA 3.44Å; D330-A367 WeakPolarHBondContact OD1-CB 3.45Å; D330-R368 PolarHBondContact OD1-N 3.4Å; D330-R368 WeakPolarHBondContact OD2-CA 3.37Å; D330-R368 WeakPolarHBondContact OD2-CB 3.29Å; D330-R368 VanDerWaalsContact OD2-CG 3.27Å; D330-R368 WeakPolarHBondContact OD2-CG 3.21Å; D330-R368 PolarHBondContact OD2-N 2.89Å |
| 331 | A | 83.1 | Confident | 86.8 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N57 C326 G329 R364 | N57-A331 HydrophobicContact CB-CB 3.72Å; N57-A331 CarbonylContact O-C 3.57Å; N57-A331 VanDerWaalsContact O-CA 3.29Å; N57-A331 WeakPolarHBondContact O-CA 3.48Å; C326-A331 HydrophobicContact CB-CB 4.44Å; G329-A331 PolarHBondContact O-N 3.45Å; G329-A331 VanDerWaalsContact O-N 3.15Å; A331-R364 PolarHBondContact O-NH1 3.5Å |
| 332 | K | 88.6 | Confident | 86.8 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.1 | 162.9 | -59.4 | -170.5 | 179 | -168 | 0 | 108.4 | L48 S51 N57 V58 C59 A367 | L48-K332 HydrophobicContact CD2-CB 4.16Å; L48-K332 HydrophobicContact CD2-CD 4.12Å; S51-K332 PolarHBondContact OG-NZ 2.7Å; N57-K332 PolarHBondContact O-N 2.99Å; V58-K332 CarbonylContact C-O 3.56Å; V58-K332 WeakPolarHBondContact CA-O 3.49Å; V58-K332 HydrophobicContact CG2-CB 4.49Å; C59-K332 PolarHBondContact N-O 2.82Å; K332-A367 HydrophobicContact CG-CB 4.29Å |
| 333 | L | 88.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 41.4 Ų | 41.4 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.6 | 179.1 | 172.5 | 65.7 | 0 | 0 | 0 | 110.2 | C59 M61 L327 V335 | C59-L333 HydrophobicContact CB-CD1 3.9Å; C59-L333 CarbonylContact O-C 3.6Å; C59-L333 WeakPolarHBondContact O-CA 3.46Å; M61-L333 HydrophobicContact CE-CD1 3.45Å; M61-L333 VanDerWaalsContact CE-CD1 3.45Å; M61-L333 HydrophobicContact CG-CD1 4.18Å; M61-L333 HydrophobicContact SD-CD1 4.06Å; L327-L333 HydrophobicContact CD2-CD2 4.3Å; L333-V335 HydrophobicContact CD1-CG2 4.08Å; L333-V335 HydrophobicContact CD2-CG2 3.96Å; L333-V335 HydrophobicContact CG-CG2 3.91Å |
| 334 | L | 92.3 | Very high | 86.7 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.6 | 166.8 | 176.4 | 62.6 | 0 | 0 | 0 | 108.9 | D44 V45 L48 C59 V60 M61 I336 | D44-L334 HydrophobicContact CB-CD2 4.42Å; V45-L334 HydrophobicContact CG2-CD2 3.91Å; L48-L334 HydrophobicContact CD1-CB 3.77Å; L48-L334 HydrophobicContact CD1-CD2 3.87Å; L48-L334 HydrophobicContact CD1-CG 4.46Å; C59-L334 PolarHBondContact O-N 3.36Å; V60-L334 WeakPolarHBondContact CA-O 3.27Å; V60-L334 HydrophobicContact CG1-CD2 4.13Å; V60-L334 HydrophobicContact CG1-CG 4.42Å; V60-L334 HydrophobicContact CG2-CB 4.35Å; V60-L334 HydrophobicContact CG2-CD2 4.45Å; M61-L334 PolarHBondContact N-O 2.95Å; L334-I336 HydrophobicContact CD2-CG1 4.47Å; L334-I336 HydrophobicContact CG-CG1 4.24Å |
| 335 | V | 93 | Very high | 86.6 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122 | 174.4 | -176 | 0 | 0 | 0 | 0 | 108.6 | M61 L333 L337 F355 A359 | M61-V335 HydrophobicContact CG-CB 4.27Å; M61-V335 HydrophobicContact CG-CG1 4.19Å; M61-V335 HydrophobicContact CG-CG2 3.9Å; M61-V335 WeakPolarHBondContact O-CA 3.18Å; M61-V335 HydrophobicContact SD-CG2 4.02Å; L333-V335 HydrophobicContact CD1-CG2 4.08Å; L333-V335 HydrophobicContact CD2-CG2 3.96Å; L333-V335 HydrophobicContact CG-CG2 3.91Å; V335-L337 HydrophobicContact CG1-CD2 3.86Å; V335-L337 HydrophobicContact CG1-CG 4.49Å; V335-F355 HydrophobicContact CG1-CD1 4.49Å; V335-F355 HydrophobicContact CG1-CE1 3.93Å; V335-A359 HydrophobicContact CG2-CB 4.14Å |
| 336 | I | 95.3 | Very high | 86.9 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.6 | 176.6 | -54.7 | 173.7 | 0 | 0 | 0 | 108.6 | V41 V60 M61 A62 Y63 T73 I95 L334 C338 | V41-I336 HydrophobicContact CG1-CD1 4.39Å; V60-I336 HydrophobicContact CG1-CD1 3.98Å; M61-I336 PolarHBondContact O-N 2.6Å; A62-I336 WeakPolarHBondContact CA-O 3.45Å; Y63-I336 PolarHBondContact N-O 2.91Å; T73-I336 HydrophobicContact CG2-CD1 4.22Å; T73-I336 HydrophobicContact CG2-CG2 4.08Å; I95-I336 HydrophobicContact CD1-CD1 3.16Å; L334-I336 HydrophobicContact CD2-CG1 4.47Å; L334-I336 HydrophobicContact CG-CG1 4.24Å; I336-C338 PolarHBondContact O-N 2.94Å |
| 337 | L | 95.3 | Very high | 87.3 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 109.6 | -179.8 | -57.8 | 174.3 | 0 | 0 | 0 | 109.9 | Y63 V335 I339 F355 | Y63-L337 HydrophobicContact CD1-CD2 4Å; Y63-L337 CarbonylContact O-C 3.55Å; Y63-L337 WeakPolarHBondContact O-CA 3.39Å; V335-L337 HydrophobicContact CG1-CD2 3.86Å; V335-L337 HydrophobicContact CG1-CG 4.49Å; L337-I339 HydrophobicContact CB-CD1 4.45Å; L337-I339 HydrophobicContact CB-CG1 4.47Å; L337-F355 HydrophobicContact CD2-CD1 4Å |
| 338 | C | 93.9 | Very high | 87.6 | Confident | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | trans | -88.2 | 117.4 | 174.2 | -61 | 0 | 0 | 0 | 0 | 109.1 | Y63 G64 S68 K70 I336 | Y63-C338 PolarHBondContact O-N 2.82Å; G64-C338 WeakPolarHBondContact CA-O 3.47Å; S68-C338 VanDerWaalsContact CB-O 3.24Å; S68-C338 WeakPolarHBondContact CB-O 3.28Å; S68-C338 WeakPolarHBondContact OG-CB 3.34Å; S68-C338 PolarHBondContact OG-O 3.4Å; K70-C338 HydrophobicContact CG-CB 3.92Å; I336-C338 PolarHBondContact O-N 2.94Å | ||
| 339 | I | 92.6 | Very high | 88.5 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | trans | -126.1 | 140.6 | -173 | -63.4 | -178.1 | 0 | 0 | 0 | 109.8 | L337 T349 L353 | L337-I339 HydrophobicContact CB-CD1 4.45Å; L337-I339 HydrophobicContact CB-CG1 4.47Å; I339-T349 HydrophobicContact CG2-CG2 3.38Å; I339-T349 WeakPolarHBondContact CG2-OG1 3.3Å; I339-L353 HydrophobicContact CD1-CD2 3.48Å; I339-L353 VanDerWaalsContact CD1-CD2 3.48Å; I339-L353 HydrophobicContact CD1-CG 3.77Å | ||
| 340 | S | 89.9 | Confident | 89.5 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | trans | -87.4 | 131.9 | 173.1 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | S342 H345 T349 | S340-S342 PolarHBondContact O-N 3.04Å; S340-S342 PolarHBondContact OG-N 3.32Å; S340-H345 WeakPolarHBondContact CB-ND1 3.45Å; S340-H345 PolarHBondContact OG-ND1 3.48Å; S340-T349 PolarHBondContact O-OG1 3.05Å | ||
| 341 | P | 89.1 | Confident | 90.2 | Very high | 133 Ų | 133 | 60.5 Ų | 60.5 | 86% | 0.864 | 32% | 0.318 | S | S | * | . | trans | -75.3 | -2.2 | 176.3 | 31.9 | -36.3 | 0 | 0 | 0 | 113.1 | ||||
| 342 | S | 89.9 | Confident | 90.5 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | trans | -76.7 | 133.4 | -175.2 | -171 | 0 | 0 | 0 | 0 | 112.1 | S340 R344 H345 | S340-S342 PolarHBondContact O-N 3.04Å; S340-S342 PolarHBondContact OG-N 3.32Å; S342-R344 PolarHBondContact O-N 3.43Å; S342-R344 VanDerWaalsContact O-N 3.1Å; S342-R344 WeakPolarHBondContact OG-CG 3.5Å; S342-H345 WeakPolarHBondContact O-CB 3.37Å; S342-H345 PolarHBondContact O-N 3.2Å | ||
| 343 | Q | 89.8 | Confident | 90.7 | Very high | 152 Ų | 152 | 61.9 Ų | 61.9 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -55.2 | -31.8 | 177 | -168 | 65.9 | 19.7 | 0 | 0 | 113.2 | H345 L346 | Q343-H345 PolarHBondContact O-N 3.18Å; Q343-H345 VanDerWaalsContact O-N 3.11Å; Q343-L346 WeakPolarHBondContact O-CB 3.47Å; Q343-L346 PolarHBondContact O-N 3.24Å |
| 344 | R | 87.6 | Confident | 90.7 | Very high | 196 Ų | 196 | 61 Ų | 61 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -63.5 | -16.7 | 178.5 | 81.3 | -164.6 | -173.4 | -171.7 | -3.1 | 113.4 | S342 | S342-R344 PolarHBondContact O-N 3.43Å; S342-R344 VanDerWaalsContact O-N 3.1Å; S342-R344 WeakPolarHBondContact OG-CG 3.5Å |
| 345 | H | 87 | Confident | 90.6 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -109.9 | 15.3 | -176.7 | -65.9 | 159 | 0 | 0 | 0 | 112.8 | Q65 S340 S342 Q343 A347 Q348 T349 | Q65-H345 PolarHBondContact NE2-CE1 3.27Å; Q65-H345 PolarHBondContact NE2-ND1 3.15Å; Q65-H345 PolarHBondContact NE2-NE2 3.49Å; Q65-H345 VanDerWaalsContact OE1-CB 3.23Å; S340-H345 WeakPolarHBondContact CB-ND1 3.45Å; S340-H345 PolarHBondContact OG-ND1 3.48Å; S342-H345 WeakPolarHBondContact O-CB 3.37Å; S342-H345 PolarHBondContact O-N 3.2Å; Q343-H345 PolarHBondContact O-N 3.18Å; Q343-H345 VanDerWaalsContact O-N 3.11Å; H345-A347 VanDerWaalsContact C-N 3.32Å; H345-A347 PolarHBondContact O-N 3.08Å; H345-Q348 PolarHBondContact O-N 3.37Å; H345-Q348 PolarHBondContact O-OE1 3.49Å; H345-T349 WeakPolarHBondContact O-CB 3.02Å; H345-T349 PolarHBondContact O-N 3.21Å; H345-T349 PolarHBondContact O-OG1 3.21Å |
| 346 | L | 89.8 | Confident | 90.5 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 42% | 0.419 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.5 | -42.7 | -175.1 | 179.3 | 62.6 | 0 | 0 | 0 | 112.6 | Q343 Q348 T349 L350 | Q343-L346 WeakPolarHBondContact O-CB 3.47Å; Q343-L346 PolarHBondContact O-N 3.24Å; L346-Q348 PolarHBondContact O-N 2.98Å; L346-T349 WeakPolarHBondContact O-CB 3.49Å; L346-T349 PolarHBondContact O-N 3.29Å; L346-L350 HydrophobicContact CD1-CD1 4.41Å; L346-L350 HydrophobicContact CD1-CG 4.31Å; L346-L350 HydrophobicContact CG-CD1 4.26Å; L346-L350 WeakPolarHBondContact O-CG 3.34Å; L346-L350 PolarHBondContact O-N 3.23Å |
| 347 | A | 88.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H345 T349 L350 Q351 | H345-A347 VanDerWaalsContact C-N 3.32Å; H345-A347 PolarHBondContact O-N 3.08Å; A347-T349 VanDerWaalsContact C-N 3.32Å; A347-T349 PolarHBondContact O-N 3.1Å; A347-L350 PolarHBondContact O-N 3.13Å; A347-Q351 WeakPolarHBondContact O-CG 3.49Å; A347-Q351 PolarHBondContact O-N 2.92Å |
| 348 | Q | 87.8 | Confident | 89.6 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 178.2 | -65.3 | 76.7 | 16.4 | 0 | 0 | 111.5 | Q65 H345 L346 Q351 G352 | Q65-Q348 HydrophobicContact CB-CB 4.12Å; Q65-Q348 HydrophobicContact CB-CG 4.39Å; Q65-Q348 VanDerWaalsContact OE1-CB 3.28Å; H345-Q348 PolarHBondContact O-N 3.37Å; H345-Q348 PolarHBondContact O-OE1 3.49Å; L346-Q348 PolarHBondContact O-N 2.98Å; Q348-Q351 PolarHBondContact O-N 3.03Å; Q348-G352 PolarHBondContact O-N 3.04Å |
| 349 | T | 90.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 14% | 0.135 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 173.6 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | I339 S340 H345 L346 A347 Q351 G352 L353 | I339-T349 HydrophobicContact CG2-CG2 3.38Å; I339-T349 WeakPolarHBondContact CG2-OG1 3.3Å; S340-T349 PolarHBondContact O-OG1 3.05Å; H345-T349 WeakPolarHBondContact O-CB 3.02Å; H345-T349 PolarHBondContact O-N 3.21Å; H345-T349 PolarHBondContact O-OG1 3.21Å; L346-T349 WeakPolarHBondContact O-CB 3.49Å; L346-T349 PolarHBondContact O-N 3.29Å; A347-T349 VanDerWaalsContact C-N 3.32Å; A347-T349 PolarHBondContact O-N 3.1Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 3.48Å; T349-G352 PolarHBondContact O-N 3.34Å; T349-L353 HydrophobicContact CG2-CD1 4.15Å; T349-L353 WeakPolarHBondContact O-CG 3.46Å; T349-L353 PolarHBondContact O-N 3.45Å |
| 350 | L | 91.3 | Very high | 88.9 | Confident | 108 Ų | 108 | 70.6 Ų | 70.6 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.1 | -39.5 | 177.1 | -69 | 172.9 | 0 | 0 | 0 | 112 | L346 A347 L353 G354 | L346-L350 HydrophobicContact CD1-CD1 4.41Å; L346-L350 HydrophobicContact CD1-CG 4.31Å; L346-L350 HydrophobicContact CG-CD1 4.26Å; L346-L350 WeakPolarHBondContact O-CG 3.34Å; L346-L350 PolarHBondContact O-N 3.23Å; A347-L350 PolarHBondContact O-N 3.13Å; L350-L353 PolarHBondContact O-N 3.26Å; L350-G354 PolarHBondContact O-N 3.45Å |
| 351 | Q | 89 | Confident | 88.5 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.1 | -72.6 | 177.5 | -47.4 | 0 | 0 | 112.2 | A347 Q348 T349 G354 F355 | A347-Q351 WeakPolarHBondContact O-CG 3.49Å; A347-Q351 PolarHBondContact O-N 2.92Å; Q348-Q351 PolarHBondContact O-N 3.03Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 3.48Å; Q351-G354 PolarHBondContact O-N 2.96Å; Q351-F355 PolarHBondContact O-N 3.3Å |
| 352 | G | 90.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 69 Ų | 69 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q348 T349 F355 G356 | Q348-G352 PolarHBondContact O-N 3.04Å; T349-G352 PolarHBondContact O-N 3.34Å; G352-F355 WeakPolarHBondContact O-CB 3.46Å; G352-F355 PolarHBondContact O-N 3.14Å; G352-G356 PolarHBondContact O-N 3.13Å |
| 353 | L | 91.6 | Very high | 86.9 | Confident | 80 Ų | 80 | 74.3 Ų | 74.3 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 174.6 | -67.9 | 172.4 | 0 | 0 | 0 | 111.9 | I339 T349 L350 F355 G356 I357 | I339-L353 HydrophobicContact CD1-CD2 3.48Å; I339-L353 VanDerWaalsContact CD1-CD2 3.48Å; I339-L353 HydrophobicContact CD1-CG 3.77Å; T349-L353 HydrophobicContact CG2-CD1 4.15Å; T349-L353 WeakPolarHBondContact O-CG 3.46Å; T349-L353 PolarHBondContact O-N 3.45Å; L350-L353 PolarHBondContact O-N 3.26Å; L353-F355 VanDerWaalsContact C-N 3.3Å; L353-F355 PolarHBondContact O-N 2.98Å; L353-G356 WeakPolarHBondContact O-CA 3.49Å; L353-G356 PolarHBondContact O-N 2.88Å; L353-G356 VanDerWaalsContact O-N 3.09Å; L353-I357 WeakPolarHBondContact O-CG1 3.27Å; L353-I357 PolarHBondContact O-N 3.35Å |
| 354 | G | 90.3 | Very high | 85.8 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L350 Q351 R358 | L350-G354 PolarHBondContact O-N 3.45Å; Q351-G354 PolarHBondContact O-N 2.96Å; G354-R358 PolarHBondContact O-N 2.88Å |
| 355 | F | 90.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 170.1 | -179.3 | -85.7 | 0 | 0 | 0 | 111.4 | Y63 L298 A299 L302 V335 L337 Q351 G352 L353 I357 R358 A359 | Y63-F355 HydrophobicContact CD1-CB 4.35Å; Y63-F355 AromaticContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CE1 4.27Å; Y63-F355 HydrophobicContact CD1-CG 4.05Å; Y63-F355 HydrophobicContact CD2-CD1 4.26Å; Y63-F355 HydrophobicContact CD2-CD2 4.41Å; Y63-F355 HydrophobicContact CD2-CE1 4.02Å; Y63-F355 HydrophobicContact CD2-CE2 4.16Å; Y63-F355 HydrophobicContact CD2-CG 4.46Å; Y63-F355 AromaticContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CE1-CB 3.86Å; Y63-F355 HydrophobicContact CE1-CD1 4.08Å; Y63-F355 HydrophobicContact CE1-CD2 4.28Å; Y63-F355 AromaticContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE2-CD1 4.48Å; Y63-F355 AromaticContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CE1 4.48Å; Y63-F355 AromaticContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CG 4.22Å; Y63-F355 HydrophobicContact CE2-CZ 4.22Å; Y63-F355 AromaticContact CG-CD1 3.92Å; Y63-F355 HydrophobicContact CG-CD1 3.92Å; Y63-F355 AromaticContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CG 4.38Å; Y63-F355 HydrophobicContact CG-CZ 4.32Å; Y63-F355 AromaticContact CZ-CD2 3.88Å; Y63-F355 AromaticContact CZ-CG 3.9Å; L298-F355 HydrophobicContact CD2-CE2 4.05Å; L298-F355 HydrophobicContact CD2-CZ 3.81Å; L298-F355 HydrophobicContact CG-CE2 3.98Å; L298-F355 HydrophobicContact CG-CZ 4.01Å; A299-F355 HydrophobicContact CB-CD2 4.07Å; A299-F355 HydrophobicContact CB-CE2 4.31Å; L302-F355 HydrophobicContact CD1-CD2 4.34Å; L302-F355 HydrophobicContact CD1-CE1 3.91Å; L302-F355 HydrophobicContact CD1-CE2 3.58Å; L302-F355 HydrophobicContact CD1-CZ 3.33Å; V335-F355 HydrophobicContact CG1-CD1 4.49Å; V335-F355 HydrophobicContact CG1-CE1 3.93Å; L337-F355 HydrophobicContact CD2-CD1 4Å; Q351-F355 PolarHBondContact O-N 3.3Å; G352-F355 WeakPolarHBondContact O-CB 3.46Å; G352-F355 PolarHBondContact O-N 3.14Å; L353-F355 VanDerWaalsContact C-N 3.3Å; L353-F355 PolarHBondContact O-N 2.98Å; F355-I357 PolarHBondContact O-N 3.46Å; F355-R358 PolarHBondContact O-N 2.94Å; F355-A359 PolarHBondContact O-N 3.13Å |
| 356 | G | 89.6 | Confident | 82.8 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.6 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G352 L353 R358 A359 R360 | G352-G356 PolarHBondContact O-N 3.13Å; L353-G356 WeakPolarHBondContact O-CA 3.49Å; L353-G356 PolarHBondContact O-N 2.88Å; L353-G356 VanDerWaalsContact O-N 3.09Å; G356-R358 VanDerWaalsContact C-N 3.35Å; G356-R358 PolarHBondContact O-N 3.3Å; G356-A359 PolarHBondContact O-N 2.82Å; G356-R360 WeakPolarHBondContact O-CB 3.48Å; G356-R360 PolarHBondContact O-N 2.88Å |
| 357 | I | 86.9 | Confident | 81.2 | Confident | 98 Ų | 98 | 66 Ų | 66 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 177.2 | -69 | 167.2 | 0 | 0 | 0 | 110.6 | L353 F355 R360 Q361 | L353-I357 WeakPolarHBondContact O-CG1 3.27Å; L353-I357 PolarHBondContact O-N 3.35Å; F355-I357 PolarHBondContact O-N 3.46Å; I357-R360 PolarHBondContact O-N 2.6Å; I357-Q361 VanDerWaalsContact O-CG 3.31Å; I357-Q361 WeakPolarHBondContact O-CG 3.43Å; I357-Q361 PolarHBondContact O-N 2.91Å; I357-Q361 VanDerWaalsContact O-N 3.12Å |
| 358 | R | 85.4 | Confident | 79.9 | Confident | 89 Ų | 89 | 72.5 Ų | 72.5 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.6 | -72.1 | -171.3 | -66.4 | -88.9 | -1.1 | 111.9 | L302 G354 F355 G356 R360 Q361 V362 | L302-R358 HydrophobicContact CB-CB 4.48Å; G354-R358 PolarHBondContact O-N 2.88Å; F355-R358 PolarHBondContact O-N 2.94Å; G356-R358 VanDerWaalsContact C-N 3.35Å; G356-R358 PolarHBondContact O-N 3.3Å; R358-R360 VanDerWaalsContact C-N 3.29Å; R358-R360 PolarHBondContact O-N 3.35Å; R358-Q361 PolarHBondContact O-N 3.42Å; R358-V362 PolarHBondContact O-N 2.92Å |
| 359 | A | 86.9 | Confident | 78.6 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L302 V335 F355 G356 Q361 V362 | L302-A359 HydrophobicContact CD1-CB 4.01Å; V335-A359 HydrophobicContact CG2-CB 4.14Å; F355-A359 PolarHBondContact O-N 3.13Å; G356-A359 PolarHBondContact O-N 2.82Å; A359-Q361 VanDerWaalsContact C-N 3.34Å; A359-Q361 PolarHBondContact O-N 3.09Å; A359-V362 PolarHBondContact O-N 3.12Å |
| 360 | R | 84.6 | Confident | 77.2 | Confident | 204 Ų | 204 | 78 Ų | 78 | 77% | 0.77 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.7 | -34.7 | 177.7 | -176.5 | 179.7 | 177.9 | -140.5 | -3.1 | 113.1 | G356 I357 R358 V362 | G356-R360 WeakPolarHBondContact O-CB 3.48Å; G356-R360 PolarHBondContact O-N 2.88Å; I357-R360 PolarHBondContact O-N 2.6Å; R358-R360 VanDerWaalsContact C-N 3.29Å; R358-R360 PolarHBondContact O-N 3.35Å; R360-V362 PolarHBondContact O-N 3.32Å |
| 361 | Q | 82 | Confident | 75.6 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.9 | -9.3 | -178.8 | -73.3 | 174 | -7 | 0 | 0 | 113.6 | I357 R358 A359 Q363 | I357-Q361 VanDerWaalsContact O-CG 3.31Å; I357-Q361 WeakPolarHBondContact O-CG 3.43Å; I357-Q361 PolarHBondContact O-N 2.91Å; I357-Q361 VanDerWaalsContact O-N 3.12Å; R358-Q361 PolarHBondContact O-N 3.42Å; A359-Q361 VanDerWaalsContact C-N 3.34Å; A359-Q361 PolarHBondContact O-N 3.09Å; Q361-Q363 VanDerWaalsContact C-N 3.26Å; Q361-Q363 PolarHBondContact O-N 3.37Å |
| 362 | V | 80.4 | Confident | 73.9 | Confident | 15 Ų | 15 | 75.5 Ų | 75.5 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | trans | -68.6 | 90.1 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | L302 L305 R358 A359 R360 R364 | L302-V362 HydrophobicContact CB-CG2 4.4Å; L302-V362 HydrophobicContact CD2-CG2 3.94Å; L302-V362 WeakPolarHBondContact O-CG2 3.28Å; L305-V362 HydrophobicContact CB-CG1 3.99Å; L305-V362 HydrophobicContact CB-CG2 3.84Å; L305-V362 HydrophobicContact CD1-CG1 4.31Å; R358-V362 PolarHBondContact O-N 2.92Å; A359-V362 PolarHBondContact O-N 3.12Å; R360-V362 PolarHBondContact O-N 3.32Å; V362-R364 HydrophobicContact CG1-CG 4.34Å; V362-R364 PolarHBondContact O-N 2.96Å | ||
| 363 | Q | 65.4 | Low | 72 | Confident | 155 Ų | 155 | 78 Ų | 78 | 72% | 0.724 | 40% | 0.403 | S | S | * | . | trans | -64.9 | 121.6 | 173.8 | -67.7 | -175.4 | 5.3 | 0 | 0 | 108.9 | Q361 | Q361-Q363 VanDerWaalsContact C-N 3.26Å; Q361-Q363 PolarHBondContact O-N 3.37Å | ||
| 364 | R | 66 | Low | 69.5 | Low | 84 Ų | 84 | 78.5 Ų | 78.5 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | trans | -105.4 | 133.1 | 174.9 | -62.7 | -177.7 | 178.8 | -141.2 | -11.2 | 107.7 | C326 L327 A331 V362 | C326-R364 PolarHBondContact O-NH1 2.91Å; C326-R364 PolarHBondContact O-NH2 3.17Å; L327-R364 PolarHBondContact O-NH2 3.07Å; A331-R364 PolarHBondContact O-NH1 3.5Å; V362-R364 HydrophobicContact CG1-CG 4.34Å; V362-R364 PolarHBondContact O-N 2.96Å | ||
| 365 | G | 57.1 | Low | 67 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 62% | 0.619 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 169.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A367 | G365-A367 PolarHBondContact O-N 2.77Š|
| 366 | P | 53.7 | Low | 64.3 | Low | 120 Ų | 120 | 92.7 Ų | 92.7 | 78% | 0.779 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 128.8 | 173.8 | 21.7 | -30.9 | 0 | 0 | 0 | 109 | R368 | P366-R368 PolarHBondContact O-N 3.33Š|
| 367 | A | 57.9 | Low | 61.5 | Low | 25 Ų | 25 | 100.5 Ų | 100.5 | 21% | 0.207 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 135.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y56 D330 K332 G365 | Y56-A367 HydrophobicContact CD1-CB 3.64Å; Y56-A367 HydrophobicContact CE1-CB 4.05Å; Y56-A367 WeakPolarHBondContact CE1-O 3.18Å; Y56-A367 HydrophobicContact CG-CB 4.44Å; D330-A367 VanDerWaalsContact OD1-C 3.26Å; D330-A367 WeakPolarHBondContact OD1-CA 3.44Å; D330-A367 WeakPolarHBondContact OD1-CB 3.45Å; K332-A367 HydrophobicContact CG-CB 4.29Å; G365-A367 PolarHBondContact O-N 2.77Å |
| 368 | R | 59.8 | Low | 59.1 | Low | 192 Ų | 192 | 99.3 Ų | 99.3 | 73% | 0.725 | 52% | 0.521 | S | S | * | . | trans | -106.3 | 145.9 | 175.2 | -46.2 | 174.5 | 153.2 | -164.7 | -7.2 | 109.7 | D330 P366 | D330-R368 PolarHBondContact OD1-N 3.4Å; D330-R368 WeakPolarHBondContact OD2-CA 3.37Å; D330-R368 WeakPolarHBondContact OD2-CB 3.29Å; D330-R368 VanDerWaalsContact OD2-CG 3.27Å; D330-R368 WeakPolarHBondContact OD2-CG 3.21Å; D330-R368 PolarHBondContact OD2-N 2.89Å; P366-R368 PolarHBondContact O-N 3.33Å | ||
| 369 | K | 60.9 | Low | 56.4 | Low | 110 Ų | 110 | 104.7 Ų | 104.7 | 48% | 0.478 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 143.1 | 172.8 | -60.7 | -174.9 | -178 | -161 | 0 | 109.2 | D54 Y56 | D54-K369 VanDerWaalsContact O-CD 3.26Å; D54-K369 WeakPolarHBondContact O-CD 3.22Å; D54-K369 WeakPolarHBondContact O-CE 3.1Å; D54-K369 PolarHBondContact O-NZ 3.48Å; Y56-K369 HydrophobicContact CD1-CG 4.37Å; Y56-K369 HydrophobicContact CE1-CG 3.8Å |
| 370 | R | 60.8 | Low | 54.1 | Low | 46 Ų | 46 | 115.2 Ų | 115.2 | 17% | 0.174 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -67.2 | 130.9 | 177.3 | -147 | 176.6 | -173.5 | -178.9 | 5.6 | 109.5 | Q261 | Q261-R370 VanDerWaalsContact O-CD 3.28Å; Q261-R370 WeakPolarHBondContact O-CD 3.47Å |
| 371 | P | 57.5 | Low | 51.6 | Low | 103 Ų | 103 | 116.2 Ų | 116.2 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 149.7 | 171.3 | 27.1 | -33.4 | 0 | 0 | 0 | 109.4 | S373 | P371-S373 PolarHBondContact O-N 3.03Š|
| 372 | P | 53.3 | Low | 49.7 | Very low | 46 Ų | 46 | 117.1 Ų | 117.1 | 30% | 0.299 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 135.5 | 179.7 | 20.6 | -28.4 | 0 | 0 | 0 | 111.2 | A209 E258 Q259 V260 | A209-P372 HydrophobicContact CB-CB 4.39Å; E258-P372 HydrophobicContact CB-CB 3.48Å; E258-P372 VanDerWaalsContact CB-CB 3.48Å; E258-P372 HydrophobicContact CB-CG 3.96Å; E258-P372 VanDerWaalsContact CD-CG 3.41Å; E258-P372 HydrophobicContact CG-CB 3.75Å; E258-P372 HydrophobicContact CG-CG 3.91Å; E258-P372 WeakPolarHBondContact OE2-CG 3.27Å; Q259-P372 CarbonylContact O-C 3.57Å; Q259-P372 WeakPolarHBondContact O-CA 3.46Å; V260-P372 HydrophobicContact CG2-CB 4.29Å |
| 373 | S | 52.3 | Low | 47.9 | Very low | 55 Ų | 55 | 127.5 Ų | 127.5 | 39% | 0.385 | 66% | 0.657 | S | S | . | * | B | Isolated β-bridge | trans | -92.3 | 122.8 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | Q259 P371 Q375 | Q259-S373 PolarHBondContact O-N 2.72Å; P371-S373 PolarHBondContact O-N 3.03Å; S373-Q375 PolarHBondContact O-N 2.76Å |
| 374 | S | 39.1 | Very low | 47.1 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 117.6 | 166.6 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | M376 | S374-M376 PolarHBondContact O-N 3.48Š|
| 375 | Q | 36.5 | Very low | 46.1 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 116.9 | 169.6 | -69.5 | -166.9 | 9.7 | 0 | 0 | 108.8 | S373 E377 | S373-Q375 PolarHBondContact O-N 2.76Å; Q375-E377 PolarHBondContact O-N 2.93Å |
| 376 | M | 34.1 | Very low | 45.5 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | trans | -80 | 107.3 | 165 | -85.4 | -171.5 | 171.4 | 0 | 0 | 108 | S374 G378 | S374-M376 PolarHBondContact O-N 3.48Å; M376-G378 PolarHBondContact O-N 3.11Å | ||
| 377 | E | 32 | Very low | 45 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 67% | 0.669 | S | S | * | * | trans | -57.4 | 129.8 | 165.4 | -88.4 | -178.6 | 133.9 | 0 | 0 | 109.6 | Q375 K379 | Q375-E377 PolarHBondContact O-N 2.93Å; E377-K379 PolarHBondContact O-N 3.5Å | ||
| 378 | G | 34.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | trans | -56.1 | 105.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | M376 R380 | M376-G378 PolarHBondContact O-N 3.11Å; G378-R380 PolarHBondContact O-N 3.48Å | ||
| 379 | K | 30.4 | Very low | 43.1 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -58.7 | 97.5 | 173.6 | -156.4 | 167.3 | -170.6 | 173 | 0 | 107.7 | E377 R381 | E377-K379 PolarHBondContact O-N 3.5Å; K379-R381 PolarHBondContact O-N 3.41Å; K379-R381 VanDerWaalsContact O-N 3.1Å | ||
| 380 | R | 37.4 | Very low | 41.9 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 118.6 | 165.6 | -75.7 | -172.9 | -171.9 | -172.3 | 3.2 | 106 | G378 | G378-R380 PolarHBondContact O-N 3.48Š|
| 381 | R | 31.4 | Very low | 40.4 | Very low | 225 Ų | 225 | 145.1 Ų | 145.1 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.1 | 169.2 | -70.5 | -175.8 | 178.3 | -154.4 | 0 | 106.9 | K379 | K379-R381 PolarHBondContact O-N 3.41Å; K379-R381 VanDerWaalsContact O-N 3.1Å |
| 382 | P | 43.7 | Very low | 39 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125.3 | 165.3 | 29.9 | -27.7 | 0 | 0 | 0 | 107.2 | ||
| 383 | D | 42.8 | Very low | 37.7 | Very low | 234 Ų | 234 | 157.9 Ų | 157.9 | 100% | 1.251 | 80% | 0.801 | S | S | * | * | trans | -94.5 | 0 | 154.2 | -75.1 | -20.1 | 0 | 0 | 0 | 108 |
Retrieved 383 of 383 residues in 88.1 ms
(Link to these results)