| 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 | 30.7 | Very low | 28.5 | Very low | 239 Ų | 239 | 145 Ų | 145 | 100% | 1.177 | 82% | 0.815 | S | S | * | * | 0 | 100.9 | 0 | -65.3 | -49.4 | -167.7 | 0 | 0 | 108.7 | |||||
| 2 | P | 32.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -98.3 | 166.6 | 177.9 | 38.5 | -33 | 0 | 0 | 0 | 112.6 | ||||
| 3 | S | 29.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -68.8 | 163.9 | 161.5 | -34.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | P | 35.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | -150 | 160.1 | 72.4 | 40.6 | -21.8 | 0 | 0 | 0 | 118.5 | |||||
| 5 | M | 27.8 | Very low | 27.6 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | trans | 38.6 | 142 | 136.7 | -61.5 | -62.9 | -129.2 | 0 | 0 | 125.1 | ||||
| 6 | E | 27.4 | Very low | 27.3 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 75.5 | 135 | 142 | -75.7 | 170.5 | -159.5 | 0 | 0 | 122.3 | ||||
| 7 | G | 25.6 | Very low | 27.1 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 158.9 | 72.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 8 | S | 23.8 | Very low | 27.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 51 | 105.9 | 150.2 | -145.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 9 | S | 25.8 | Very low | 27.1 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 60.5 | 114.3 | 126.7 | 71.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 10 | R | 28.6 | Very low | 27.1 | Very low | 216 Ų | 216 | 139.6 Ų | 139.6 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | 87.2 | 146.3 | 118.6 | -79.7 | -176.5 | 172.6 | -139.9 | 10.8 | 124 | |||||
| 11 | E | 25.3 | Very low | 27.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 120.7 | 152.8 | -75 | 158.5 | -140.3 | 0 | 0 | 119 | ||||
| 12 | G | 26.5 | Very low | 26.8 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -138.1 | 151.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 13 | D | 25.6 | Very low | 26.7 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 144.8 | -148.8 | -61.1 | -83.7 | 0 | 0 | 0 | 118.1 | ||
| 14 | L | 25.2 | Very low | 26.7 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 86% | 0.859 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 116.4 | 167.6 | -120.9 | 95.9 | 0 | 0 | 0 | 111.3 | T16 | L14-T16 PolarHBondContact O-N 3.23Š|
| 15 | F | 24.3 | Very low | 26.6 | Very low | 201 Ų | 201 | 128.2 Ų | 128.2 | 88% | 0.882 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 119.1 | 175.5 | -82.6 | -100.4 | 0 | 0 | 0 | 112 | ||
| 16 | T | 23 | Very low | 26.9 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | trans | -88.4 | 110 | -177.6 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | L14 | L14-T16 PolarHBondContact O-N 3.23Š| ||
| 17 | V | 22.3 | Very low | 27.1 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | trans | -84.8 | 138.8 | 170.3 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | R357 | V17-R357 PolarHBondContact O-NH2 3.13Š| ||
| 18 | K | 30.9 | Very low | 27.5 | Very low | 119 Ų | 119 | 111.8 Ų | 111.8 | 52% | 0.517 | 59% | 0.594 | S | S | . | * | trans | -99.6 | 144.8 | 174.7 | -69.4 | 176 | 174.6 | 178.9 | 0 | 110.7 | N354 | K18-N354 PolarHBondContact NZ-OD1 2.6Š| ||
| 19 | H | 24.1 | Very low | 27.9 | Very low | 163 Ų | 163 | 107.6 Ų | 107.6 | 76% | 0.755 | 56% | 0.562 | S | S | * | * | trans | -141.7 | 156.6 | 157.8 | -86.1 | -68.4 | 0 | 0 | 0 | 110.3 | Q360 | H19-Q360 PolarHBondContact O-NE2 3.36Š| ||
| 20 | E | 26.6 | Very low | 28.4 | Very low | 109 Ų | 109 | 107.4 Ų | 107.4 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | trans | -110.8 | 145.4 | -166.1 | -64.2 | 172.7 | -178.1 | 0 | 0 | 112.2 | K22 | E20-K22 WeakPolarHBondContact OE2-CE 3.49Å; E20-K22 IonicContact OE2-NZ 2.73Å; E20-K22 PolarHBondContact OE2-NZ 2.85Å | ||
| 21 | L | 26.7 | Very low | 28.8 | Very low | 128 Ų | 128 | 98.6 Ų | 98.6 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | trans | -119.9 | 123.6 | 168.8 | -70.6 | 171.6 | 0 | 0 | 0 | 110.3 | Q360 | L21-Q360 HydrophobicContact CB-CB 4.2Å; L21-Q360 HydrophobicContact CB-CG 4.21Å | ||
| 22 | K | 25.2 | Very low | 29.8 | Very low | 157 Ų | 157 | 100.6 Ų | 100.6 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | trans | -117 | 105.4 | -174.5 | -71.5 | 172 | -178.9 | 164.9 | 0 | 110.7 | E20 | E20-K22 WeakPolarHBondContact OE2-CE 3.49Å; E20-K22 IonicContact OE2-NZ 2.73Å; E20-K22 PolarHBondContact OE2-NZ 2.85Å | ||
| 23 | N | 31.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 97.9 Ų | 97.9 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | trans | 72.7 | 139.9 | 170.6 | -54.3 | -48.8 | 0 | 0 | 0 | 118.5 | S363 | N23-S363 PolarHBondContact OD1-OG 2.87Š| ||
| 24 | A | 29.3 | Very low | 32.6 | Very low | 53 Ų | 53 | 91.1 Ų | 91.1 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | trans | -128.3 | 163.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S363 | A24-S363 CarbonylContact C-O 3.55Å; A24-S363 VanDerWaalsContact C-O 3.28Å; A24-S363 CarbonylContact O-C 3.43Å; A24-S363 WeakPolarHBondContact O-CB 3.25Å | ||
| 25 | N | 32.5 | Very low | 34.6 | Very low | 48 Ų | 48 | 85.2 Ų | 85.2 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | trans | -165.3 | 132.2 | -174.2 | -167.5 | -10.5 | 0 | 0 | 0 | 112.3 | E31 M365 R447 | N25-E31 PolarHBondContact ND2-O 2.71Å; N25-M365 WeakPolarHBondContact ND2-CE 3.39Å; N25-M365 WeakPolarHBondContact OD1-CB 3.47Å; N25-M365 WeakPolarHBondContact OD1-CE 3.39Å; N25-M365 VanDerWaalsContact OD1-CG 3.3Å; N25-M365 WeakPolarHBondContact OD1-CG 3.5Å; N25-R447 VanDerWaalsContact CG-NH1 3.34Å; N25-R447 PolarHBondContact O-NH1 3.2Å; N25-R447 PolarHBondContact OD1-NH1 3.48Å; N25-R447 PolarHBondContact OD1-NH2 2.89Å | ||
| 26 | L | 34.5 | Very low | 36.8 | Very low | 54 Ų | 54 | 81.8 Ų | 81.8 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | trans | -124.1 | -7.7 | -167.9 | -78.7 | 168.6 | 0 | 0 | 0 | 119.9 | G28 F364 M365 F424 | L26-G28 VanDerWaalsContact C-N 3.28Å; L26-G28 PolarHBondContact O-N 3.16Å; L26-G28 VanDerWaalsContact O-N 3.12Å; L26-F364 HydrophobicContact CD1-CD2 4.09Å; L26-F364 HydrophobicContact CD1-CE2 4.31Å; L26-M365 CarbonylContact C-O 3.58Å; L26-M365 VanDerWaalsContact CA-O 3.28Å; L26-M365 WeakPolarHBondContact CA-O 3.45Å; L26-M365 WeakPolarHBondContact CB-O 3.29Å; L26-F424 HydrophobicContact CD2-CE1 4.13Å | ||
| 27 | T | 32.3 | Very low | 39.2 | Very low | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -75.6 | 24.4 | 171.5 | 42.2 | 0 | 0 | 0 | 0 | 117.4 | H29 Y108 M365 A366 L370 R447 | T27-H29 PolarHBondContact O-N 2.86Å; T27-Y108 HydrophobicContact CG2-CD1 4.45Å; T27-Y108 HydrophobicContact CG2-CE1 4.1Å; T27-M365 HydrophobicContact CG2-CB 3.56Å; T27-M365 PolarHBondContact N-O 3.23Å; T27-M365 VanDerWaalsContact N-O 3.14Å; T27-M365 WeakPolarHBondContact OG1-CB 3.45Å; T27-M365 WeakPolarHBondContact OG1-CE 3.1Å; T27-M365 PolarHBondContact OG1-SD 3.49Å; T27-A366 WeakPolarHBondContact CG2-O 3.4Å; T27-L370 VanDerWaalsContact O-CD1 3.22Å; T27-L370 WeakPolarHBondContact O-CD1 2.93Å; T27-R447 PolarHBondContact OG1-NH2 3.36Å |
| 28 | G | 34.2 | Very low | 41.9 | Very low | 14 Ų | 14 | 72.7 Ų | 72.7 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 60.4 | -22.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | L26 S445 | L26-G28 VanDerWaalsContact C-N 3.28Å; L26-G28 PolarHBondContact O-N 3.16Å; L26-G28 VanDerWaalsContact O-N 3.12Å; G28-S445 PolarHBondContact O-OG 3.41Å |
| 29 | H | 31.8 | Very low | 44.2 | Very low | 26 Ų | 26 | 71.3 Ų | 71.3 | 12% | 0.12 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -98.5 | 138.7 | -177.3 | -66.6 | -5.2 | 0 | 0 | 0 | 113.6 | T27 E31 L370 R447 L479 | T27-H29 PolarHBondContact O-N 2.86Å; H29-E31 PolarHBondContact O-N 3.49Å; H29-L370 WeakPolarHBondContact CE1-CD2 3.43Å; H29-L370 VanDerWaalsContact NE2-CD2 3.31Å; H29-L370 WeakPolarHBondContact NE2-CD2 2.99Å; H29-R447 VanDerWaalsContact N-NH2 3.18Å; H29-R447 PolarHBondContact O-NE 2.53Å; H29-R447 PolarHBondContact O-NH2 3.12Å; H29-L479 HydrophobicContact CB-CD2 4.32Å |
| 30 | I | 35.3 | Very low | 46.6 | Very low | 89 Ų | 89 | 65.4 Ų | 65.4 | 46% | 0.456 | 33% | 0.326 | S | S | . | . | trans | -78.5 | 60.3 | 172.2 | -29.8 | 178.6 | 0 | 0 | 0 | 112.5 | K446 R447 | I30-K446 VanDerWaalsContact CD1-C 3.41Å; I30-K446 HydrophobicContact CD1-CB 3.79Å; I30-K446 HydrophobicContact CD1-CD 4.37Å; I30-K446 HydrophobicContact CD1-CG 3.9Å; I30-K446 VanDerWaalsContact CD1-O 3.28Å; I30-K446 WeakPolarHBondContact CD1-O 3.37Å; I30-K446 HydrophobicContact CG1-CB 4.05Å; I30-R447 HydrophobicContact CB-CG 4.37Å; I30-R447 HydrophobicContact CG1-CB 4.49Å; I30-R447 HydrophobicContact CG1-CG 3.82Å | ||
| 31 | E | 38.6 | Very low | 48.8 | Very low | 32 Ų | 32 | 62.3 Ų | 62.3 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | trans | -82 | 124.8 | 144.2 | -72.7 | -167.5 | 116.4 | 0 | 0 | 107.7 | N25 H29 V33 K57 S59 G60 M365 | N25-E31 PolarHBondContact ND2-O 2.71Å; H29-E31 PolarHBondContact O-N 3.49Å; E31-V33 VanDerWaalsContact C-N 3.3Å; E31-V33 HydrophobicContact CB-CG2 3.65Å; E31-V33 PolarHBondContact O-N 2.82Å; E31-V33 VanDerWaalsContact O-N 3.16Å; E31-K57 IonicContact OE1-NZ 3.23Å; E31-K57 IonicContact OE2-NZ 3.81Å; E31-K57 PolarHBondContact OE2-NZ 3.01Å; E31-S59 VanDerWaalsContact OE1-C 3.29Å; E31-S59 VanDerWaalsContact OE1-CB 3.3Å; E31-S59 WeakPolarHBondContact OE1-CB 3.46Å; E31-S59 PolarHBondContact OE1-OG 3.21Å; E31-G60 VanDerWaalsContact OE1-CA 3.25Å; E31-G60 WeakPolarHBondContact OE1-CA 3.33Å; E31-G60 PolarHBondContact OE1-N 3.17Å; E31-M365 WeakPolarHBondContact O-CE 3.48Å | ||
| 32 | R | 44.8 | Very low | 51.1 | Low | 204 Ų | 204 | 60 Ų | 60 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | trans | -62.6 | 107.1 | 141.2 | -85.7 | -173 | 176.1 | -176.8 | 0.6 | 104.8 | G34 N37 | R32-G34 PolarHBondContact O-N 2.82Å; R32-N37 PolarHBondContact O-ND2 3.18Å; R32-N37 PolarHBondContact O-OD1 3.41Å | ||
| 33 | V | 49.9 | Very low | 53.4 | Low | 12 Ų | 12 | 52.5 Ų | 52.5 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | trans | -91.3 | 88 | 167.3 | 172.2 | 0 | 0 | 0 | 0 | 105.4 | E31 N37 F38 Y108 F110 M365 | E31-V33 VanDerWaalsContact C-N 3.3Å; E31-V33 HydrophobicContact CB-CG2 3.65Å; E31-V33 PolarHBondContact O-N 2.82Å; E31-V33 VanDerWaalsContact O-N 3.16Å; V33-N37 WeakPolarHBondContact CA-OD1 3.45Å; V33-F38 HydrophobicContact CG1-CE2 3.41Å; V33-F38 VanDerWaalsContact CG1-CE2 3.41Å; V33-F38 HydrophobicContact CG1-CZ 3.65Å; V33-Y108 HydrophobicContact CG1-CD2 4.34Å; V33-Y108 HydrophobicContact CG1-CG 4.24Å; V33-F110 HydrophobicContact CG1-CD1 4.14Å; V33-F110 HydrophobicContact CG1-CE1 4.24Å; V33-F110 VanDerWaalsContact O-CB 3.27Å; V33-F110 WeakPolarHBondContact O-CB 3.49Å; V33-F110 VanDerWaalsContact O-CD1 3.25Å; V33-F110 WeakPolarHBondContact O-CD1 3.39Å; V33-F110 WeakPolarHBondContact O-CG 3.45Å; V33-M365 HydrophobicContact CB-CE 3.77Å; V33-M365 HydrophobicContact CB-SD 3.75Å; V33-M365 HydrophobicContact CG1-SD 4.27Å; V33-M365 HydrophobicContact CG2-CE 3.47Å; V33-M365 VanDerWaalsContact CG2-CE 3.47Å; V33-M365 HydrophobicContact CG2-SD 3.54Å; V33-M365 VanDerWaalsContact CG2-SD 3.54Å | ||
| 34 | G | 61.1 | Low | 55.2 | Low | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -95.5 | -157.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R32 E36 N37 F38 F110 | R32-G34 PolarHBondContact O-N 2.82Å; G34-E36 WeakPolarHBondContact CA-OE2 3.25Å; G34-N37 PolarHBondContact N-OD1 2.84Å; G34-N37 PolarHBondContact O-OD1 2.86Å; G34-F38 VanDerWaalsContact O-CD2 3.27Å; G34-F38 WeakPolarHBondContact O-CD2 3.37Å; G34-F38 WeakPolarHBondContact O-CE2 3.44Å; G34-F110 VanDerWaalsContact C-CZ 3.47Å; G34-F110 VanDerWaalsContact O-CZ 3.25Å; G34-F110 WeakPolarHBondContact O-CZ 3.37Å |
| 35 | I | 67.6 | Low | 56.9 | Low | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.205 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -79.2 | -27.7 | 176.9 | -166 | 165.6 | 0 | 0 | 0 | 111.6 | N37 F38 L40 M69 F110 Y346 | I35-N37 PolarHBondContact O-N 3.11Å; I35-N37 VanDerWaalsContact O-N 3.12Å; I35-F38 PolarHBondContact O-N 3.13Å; I35-L40 HydrophobicContact CD1-CD1 4.4Å; I35-L40 HydrophobicContact CG1-CD1 4.22Å; I35-M69 HydrophobicContact CG1-CE 4.37Å; I35-F110 HydrophobicContact CB-CE2 4.17Å; I35-F110 HydrophobicContact CB-CZ 4.46Å; I35-Y346 HydrophobicContact CD1-CD1 4.16Å; I35-Y346 HydrophobicContact CD1-CD2 3.37Å; I35-Y346 HydrophobicContact CD1-CE1 4.08Å; I35-Y346 HydrophobicContact CD1-CE2 3.28Å; I35-Y346 HydrophobicContact CD1-CG 3.81Å |
| 36 | E | 71.1 | Confident | 58 | Low | 128 Ų | 128 | 46.3 Ų | 46.3 | 60% | 0.598 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.6 | 177.2 | 61.2 | -87.6 | -154.3 | 0 | 0 | 114.2 | G34 F38 | G34-E36 WeakPolarHBondContact CA-OE2 3.25Å; E36-F38 VanDerWaalsContact C-N 3.32Å |
| 37 | N | 73.3 | Confident | 58.9 | Low | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.2 | 176.4 | -48.9 | 89.5 | 0 | 0 | 0 | 113 | R32 V33 G34 I35 K57 V58 S59 | R32-N37 PolarHBondContact O-ND2 3.18Å; R32-N37 PolarHBondContact O-OD1 3.41Å; V33-N37 WeakPolarHBondContact CA-OD1 3.45Å; G34-N37 PolarHBondContact N-OD1 2.84Å; G34-N37 PolarHBondContact O-OD1 2.86Å; I35-N37 PolarHBondContact O-N 3.11Å; I35-N37 VanDerWaalsContact O-N 3.12Å; N37-K57 CarbonylContact O-C 3.6Å; N37-K57 WeakPolarHBondContact O-CA 3.47Å; N37-K57 WeakPolarHBondContact O-CG 3.4Å; N37-V58 WeakPolarHBondContact O-CG2 3.47Å; N37-V58 PolarHBondContact O-N 3.15Å; N37-S59 PolarHBondContact ND2-OG 3.31Å |
| 38 | F | 77.7 | Confident | 59.5 | Low | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 120 | -175.9 | -62.6 | -77.8 | 0 | 0 | 0 | 112.2 | V33 G34 I35 E36 V55 R56 K57 Y67 M69 Y108 F110 I119 | V33-F38 HydrophobicContact CG1-CE2 3.41Å; V33-F38 VanDerWaalsContact CG1-CE2 3.41Å; V33-F38 HydrophobicContact CG1-CZ 3.65Å; G34-F38 VanDerWaalsContact O-CD2 3.27Å; G34-F38 WeakPolarHBondContact O-CD2 3.37Å; G34-F38 WeakPolarHBondContact O-CE2 3.44Å; I35-F38 PolarHBondContact O-N 3.13Å; E36-F38 VanDerWaalsContact C-N 3.32Å; F38-V55 HydrophobicContact CB-CB 4.07Å; F38-V55 HydrophobicContact CB-CG2 4.21Å; F38-V55 HydrophobicContact CD1-CB 4.28Å; F38-V55 HydrophobicContact CD1-CG2 3.58Å; F38-V55 HydrophobicContact CE1-CG2 4.29Å; F38-V55 HydrophobicContact CG-CG2 4.12Å; F38-R56 CarbonylContact C-O 3.55Å; F38-R56 WeakPolarHBondContact CA-O 3.45Å; F38-K57 HydrophobicContact CD1-CB 3.98Å; F38-K57 HydrophobicContact CD1-CG 4.14Å; F38-K57 HydrophobicContact CE1-CB 3.84Å; F38-K57 HydrophobicContact CE1-CD 3.75Å; F38-K57 HydrophobicContact CE1-CG 3.77Å; F38-K57 HydrophobicContact CZ-CD 4.03Å; F38-K57 HydrophobicContact CZ-CG 4.33Å; F38-Y67 HydrophobicContact CE1-CD2 4.29Å; F38-M69 HydrophobicContact CB-CE 3.52Å; F38-M69 HydrophobicContact CD1-CE 4.42Å; F38-M69 HydrophobicContact CD2-CE 3.5Å; F38-M69 HydrophobicContact CE2-CE 4.32Å; F38-M69 HydrophobicContact CG-CE 3.57Å; F38-Y108 HydrophobicContact CE1-CD2 4.42Å; F38-Y108 AromaticContact CZ-CD2 3.81Å; F38-Y108 HydrophobicContact CZ-CD2 3.81Å; F38-Y108 HydrophobicContact CZ-CE2 4.24Å; F38-F110 HydrophobicContact CD2-CE1 4.15Å; F38-F110 HydrophobicContact CD2-CZ 4.17Å; F38-F110 AromaticContact CE2-CE1 3.64Å; F38-F110 HydrophobicContact CE2-CE1 3.64Å; F38-F110 HydrophobicContact CE2-CZ 4.12Å; F38-I119 HydrophobicContact CD2-CD1 4.46Å; F38-I119 HydrophobicContact CE1-CD1 4.4Å; F38-I119 HydrophobicContact CE1-CG1 4.41Å; F38-I119 HydrophobicContact CE1-CG2 4.06Å; F38-I119 HydrophobicContact CE2-CD1 4.06Å; F38-I119 HydrophobicContact CE2-CG1 4.08Å; F38-I119 HydrophobicContact CZ-CD1 4.04Å; F38-I119 HydrophobicContact CZ-CG1 3.79Å; F38-I119 HydrophobicContact CZ-CG2 4.17Å |
| 39 | E | 79.1 | Confident | 60.1 | Low | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.6 | 164.6 | 172.5 | -177.7 | -127 | 0 | 0 | 108.7 | L41 V55 R56 V58 | E39-L41 HydrophobicContact CG-CD2 3.74Å; E39-L41 HydrophobicContact CG-CG 4.38Å; E39-V55 CarbonylContact O-C 3.53Å; E39-V55 WeakPolarHBondContact O-CA 3.16Å; E39-V55 WeakPolarHBondContact O-CB 3.16Å; E39-R56 HydrophobicContact CB-CB 4.31Å; E39-R56 PolarHBondContact N-O 2.84Å; E39-R56 PolarHBondContact O-N 3.13Å; E39-R56 IonicContact OE2-NE 3.29Å; E39-V58 HydrophobicContact CB-CG1 3.67Å |
| 40 | L | 76 | Confident | 61.4 | Low | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116.4 | 174.5 | -80.5 | 67.7 | 0 | 0 | 0 | 109.2 | I35 F53 V55 P344 | I35-L40 HydrophobicContact CD1-CD1 4.4Å; I35-L40 HydrophobicContact CG1-CD1 4.22Å; L40-F53 HydrophobicContact CD2-CD1 3.8Å; L40-F53 HydrophobicContact CD2-CE1 3.91Å; L40-F53 HydrophobicContact CD2-CG 4.13Å; L40-F53 HydrophobicContact CD2-CZ 4.33Å; L40-F53 HydrophobicContact CG-CD1 4.37Å; L40-F53 HydrophobicContact CG-CG 4.46Å; L40-V55 HydrophobicContact CD1-CG1 4.31Å; L40-V55 HydrophobicContact CG-CG1 4.08Å; L40-P344 HydrophobicContact CB-CB 4.23Å; L40-P344 WeakPolarHBondContact CD2-O 3.33Å |
| 41 | L | 72.3 | Confident | 62.9 | Low | 43 Ų | 43 | 48.5 Ų | 48.5 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -50.5 | -175.1 | -64.7 | 178.4 | 0 | 0 | 0 | 112.7 | E39 L54 R56 L66 L330 | E39-L41 HydrophobicContact CG-CD2 3.74Å; E39-L41 HydrophobicContact CG-CG 4.38Å; L41-L54 HydrophobicContact CB-CD2 4.46Å; L41-L54 HydrophobicContact CB-CG 4.24Å; L41-L54 HydrophobicContact CD1-CD2 4.49Å; L41-L54 HydrophobicContact CD1-CG 4.29Å; L41-L54 PolarHBondContact N-O 2.8Å; L41-R56 HydrophobicContact CD1-CB 4.03Å; L41-R56 HydrophobicContact CG-CB 4.49Å; L41-L66 HydrophobicContact CD1-CD2 3.66Å; L41-L330 HydrophobicContact CD1-CD2 3.6Å |
| 42 | K | 74.8 | Confident | 64.6 | Low | 79 Ų | 79 | 48.7 Ų | 48.7 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.2 | -179.4 | -68.5 | -169.1 | 176.3 | 177.7 | 0 | 111.1 | F53 L54 V332 | K42-F53 CarbonylContact O-C 3.58Å; K42-F53 VanDerWaalsContact O-CA 3.23Å; K42-F53 WeakPolarHBondContact O-CA 3.39Å; K42-L54 HydrophobicContact CB-CB 4.39Å; K42-L54 PolarHBondContact N-O 2.87Å; K42-L54 PolarHBondContact O-N 3.5Å; K42-V332 HydrophobicContact CD-CB 4.49Å; K42-V332 HydrophobicContact CD-CG1 4.15Å; K42-V332 HydrophobicContact CD-CG2 3.54Å |
| 43 | V | 72.9 | Confident | 66.2 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.3 | 163.1 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | T46 K51 V52 F53 F339 M342 | V43-T46 HydrophobicContact CG1-CG2 4.14Å; V43-K51 HydrophobicContact CG1-CD 4.28Å; V43-V52 WeakPolarHBondContact CG1-O 3.26Å; V43-F53 HydrophobicContact CG2-CD1 3.9Å; V43-F53 HydrophobicContact CG2-CE1 3.82Å; V43-F339 WeakPolarHBondContact CB-O 3.23Å; V43-F339 HydrophobicContact CG1-CB 4.4Å; V43-F339 CarbonylContact O-C 3.54Å; V43-M342 HydrophobicContact CB-CB 4.22Å; V43-M342 HydrophobicContact CG1-SD 4.45Å; V43-M342 HydrophobicContact CG2-CB 3.93Å |
| 44 | L | 70.1 | Confident | 67.7 | Low | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -25.8 | 176.7 | -68.2 | 176.5 | 0 | 0 | 0 | 112.5 | V52 L54 A68 Y122 V332 F335 | L44-V52 HydrophobicContact CB-CB 4.41Å; L44-V52 HydrophobicContact CB-CG1 4.15Å; L44-V52 HydrophobicContact CD1-CG1 4.44Å; L44-V52 PolarHBondContact N-O 2.58Å; L44-L54 HydrophobicContact CD1-CB 3.9Å; L44-L54 HydrophobicContact CD2-CB 4.03Å; L44-L54 HydrophobicContact CG-CB 3.86Å; L44-A68 HydrophobicContact CD1-CB 4.37Å; L44-Y122 HydrophobicContact CD1-CD2 3.9Å; L44-Y122 HydrophobicContact CD1-CE2 3.81Å; L44-Y122 HydrophobicContact CD2-CE2 4.17Å; L44-V332 HydrophobicContact CD2-CB 4.42Å; L44-V332 HydrophobicContact CD2-CG1 3.67Å; L44-F335 HydrophobicContact CB-CD1 4.1Å; L44-F335 HydrophobicContact CB-CE1 4.12Å; L44-F335 HydrophobicContact CD1-CE1 4.3Å; L44-F335 HydrophobicContact CD1-CZ 4.32Å; L44-F335 HydrophobicContact CD2-CD1 3.97Å; L44-F335 HydrophobicContact CD2-CD2 3.96Å; L44-F335 HydrophobicContact CD2-CE1 3.95Å; L44-F335 HydrophobicContact CD2-CE2 3.95Å; L44-F335 HydrophobicContact CD2-CG 3.97Å; L44-F335 HydrophobicContact CD2-CZ 3.94Å; L44-F335 HydrophobicContact CG-CE1 4.35Å |
| 45 | G | 64.8 | Low | 68.6 | Low | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 161.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V52 | G45-V52 PolarHBondContact N-O 2.96Å; G45-V52 PolarHBondContact O-N 3.11Å |
| 46 | T | 55.7 | Low | 69.3 | Low | 65 Ų | 65 | 39.2 Ų | 39.2 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.8 | 171.9 | 80.3 | 0 | 0 | 0 | 0 | 110.7 | V43 K51 F339 M342 | V43-T46 HydrophobicContact CG1-CG2 4.14Å; T46-K51 HydrophobicContact CG2-CD 4.25Å; T46-K51 HydrophobicContact CG2-CG 3.96Å; T46-F339 HydrophobicContact CG2-CD1 3.87Å; T46-F339 HydrophobicContact CG2-CE1 4.08Å; T46-F339 WeakPolarHBondContact OG1-CE1 3.36Å; T46-M342 HydrophobicContact CG2-SD 4.14Å |
| 47 | G | 53.1 | Low | 69.8 | Low | 50 Ų | 50 | 33.1 Ų | 33.1 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 172.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y49 G50 | G47-Y49 PolarHBondContact O-N 3.3Å; G47-G50 PolarHBondContact N-O 3.19Å; G47-G50 PolarHBondContact O-N 2.84Å |
| 48 | A | 44.8 | Very low | 69.9 | Low | 57 Ų | 57 | 36 Ų | 36 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C201 | A48-C201 HydrophobicContact CB-CB 3.99Š|
| 49 | Y | 47.6 | Very low | 69.2 | Low | 64 Ų | 64 | 37.1 Ų | 37.1 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -11 | -177.5 | -58.2 | -78.8 | 0 | 0 | 0 | 114.4 | G47 L72 K73 T76 K80 | G47-Y49 PolarHBondContact O-N 3.3Å; Y49-L72 CarbonylContact O-C 3.54Å; Y49-L72 VanDerWaalsContact O-CA 3.29Å; Y49-L72 WeakPolarHBondContact O-CA 3.26Å; Y49-K73 PolarHBondContact O-N 3.08Å; Y49-T76 HydrophobicContact CD1-CG2 3.94Å; Y49-T76 HydrophobicContact CE1-CG2 4.42Å; Y49-K80 HydrophobicContact CE1-CD 4.11Å; Y49-K80 PolarHBondContact OH-NZ 3.42Å |
| 50 | G | 59.7 | Low | 68.4 | Low | 15 Ų | 15 | 34.9 Ų | 34.9 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -174.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G47 V71 | G47-G50 PolarHBondContact N-O 3.19Å; G47-G50 PolarHBondContact O-N 2.84Å; G50-V71 CarbonylContact C-O 3.54Å; G50-V71 WeakPolarHBondContact CA-O 3.31Å |
| 51 | K | 65.6 | Low | 67.3 | Low | 47 Ų | 47 | 36.9 Ų | 36.9 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 153.2 | 169.2 | -79.1 | -157.8 | 167.9 | -161.8 | 0 | 110.2 | V43 T46 F53 K70 V71 M342 | V43-K51 HydrophobicContact CG1-CD 4.28Å; T46-K51 HydrophobicContact CG2-CD 4.25Å; T46-K51 HydrophobicContact CG2-CG 3.96Å; K51-F53 HydrophobicContact CB-CD2 4.3Å; K51-F53 HydrophobicContact CB-CE2 3.58Å; K51-F53 HydrophobicContact CB-CZ 3.86Å; K51-F53 HydrophobicContact CD-CE1 4.25Å; K51-F53 HydrophobicContact CD-CE2 4.36Å; K51-F53 HydrophobicContact CD-CZ 3.75Å; K51-F53 HydrophobicContact CG-CZ 4.42Å; K51-K70 CarbonylContact O-C 3.53Å; K51-V71 PolarHBondContact N-O 3.27Å; K51-V71 PolarHBondContact O-N 2.76Å; K51-M342 PolarHBondContact NZ-SD 2.95Å; K51-M342 VanDerWaalsContact NZ-SD 3.45Å |
| 52 | V | 75 | Confident | 66.8 | Low | 36 Ų | 36 | 35.7 Ų | 35.7 | 22% | 0.218 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.3 | 168.2 | -172 | 0 | 0 | 0 | 0 | 108.8 | V43 L44 G45 A68 M69 K70 | V43-V52 WeakPolarHBondContact CG1-O 3.26Å; L44-V52 HydrophobicContact CB-CB 4.41Å; L44-V52 HydrophobicContact CB-CG1 4.15Å; L44-V52 HydrophobicContact CD1-CG1 4.44Å; L44-V52 PolarHBondContact N-O 2.58Å; G45-V52 PolarHBondContact N-O 2.96Å; G45-V52 PolarHBondContact O-N 3.11Å; V52-A68 HydrophobicContact CG1-CB 4.31Å; V52-M69 CarbonylContact C-O 3.55Å; V52-M69 WeakPolarHBondContact CA-O 3.15Å; V52-K70 HydrophobicContact CG2-CB 4.23Å; V52-K70 HydrophobicContact CG2-CD 4.48Å; V52-K70 HydrophobicContact CG2-CG 4.03Å |
| 53 | F | 77.1 | Confident | 66.8 | Low | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.8 | 178.4 | -57.4 | -96.7 | 0 | 0 | 0 | 110.6 | L40 K42 V43 K51 V55 A68 M69 V71 | L40-F53 HydrophobicContact CD2-CD1 3.8Å; L40-F53 HydrophobicContact CD2-CE1 3.91Å; L40-F53 HydrophobicContact CD2-CG 4.13Å; L40-F53 HydrophobicContact CD2-CZ 4.33Å; L40-F53 HydrophobicContact CG-CD1 4.37Å; L40-F53 HydrophobicContact CG-CG 4.46Å; K42-F53 CarbonylContact O-C 3.58Å; K42-F53 VanDerWaalsContact O-CA 3.23Å; K42-F53 WeakPolarHBondContact O-CA 3.39Å; V43-F53 HydrophobicContact CG2-CD1 3.9Å; V43-F53 HydrophobicContact CG2-CE1 3.82Å; K51-F53 HydrophobicContact CB-CD2 4.3Å; K51-F53 HydrophobicContact CB-CE2 3.58Å; K51-F53 HydrophobicContact CB-CZ 3.86Å; K51-F53 HydrophobicContact CD-CE1 4.25Å; K51-F53 HydrophobicContact CD-CE2 4.36Å; K51-F53 HydrophobicContact CD-CZ 3.75Å; K51-F53 HydrophobicContact CG-CZ 4.42Å; F53-V55 HydrophobicContact CB-CG1 3.92Å; F53-A68 CarbonylContact O-C 3.59Å; F53-A68 WeakPolarHBondContact O-CA 3.46Å; F53-M69 HydrophobicContact CB-CB 4.48Å; F53-M69 PolarHBondContact N-O 3.31Å; F53-M69 PolarHBondContact O-N 2.66Å; F53-V71 HydrophobicContact CD2-CG2 3.78Å; F53-V71 HydrophobicContact CE2-CB 4.12Å; F53-V71 HydrophobicContact CE2-CG2 3.72Å |
| 54 | L | 82.5 | Confident | 66.8 | Low | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 125.8 | 159.4 | 176.4 | 57 | 0 | 0 | 0 | 107.1 | L41 K42 L44 L66 Y122 L330 V332 | L41-L54 HydrophobicContact CB-CD2 4.46Å; L41-L54 HydrophobicContact CB-CG 4.24Å; L41-L54 HydrophobicContact CD1-CD2 4.49Å; L41-L54 HydrophobicContact CD1-CG 4.29Å; L41-L54 PolarHBondContact N-O 2.8Å; K42-L54 HydrophobicContact CB-CB 4.39Å; K42-L54 PolarHBondContact N-O 2.87Å; K42-L54 PolarHBondContact O-N 3.5Å; L44-L54 HydrophobicContact CD1-CB 3.9Å; L44-L54 HydrophobicContact CD2-CB 4.03Å; L44-L54 HydrophobicContact CG-CB 3.86Å; L54-L66 HydrophobicContact CD1-CB 4.23Å; L54-L66 HydrophobicContact CD1-CD2 4.28Å; L54-Y122 HydrophobicContact CD1-CD1 3.66Å; L54-Y122 HydrophobicContact CD1-CD2 3.74Å; L54-Y122 HydrophobicContact CD1-CE1 3.73Å; L54-Y122 HydrophobicContact CD1-CE2 3.83Å; L54-Y122 HydrophobicContact CD1-CG 3.67Å; L54-Y122 HydrophobicContact CD2-CE1 4.37Å; L54-L330 HydrophobicContact CD2-CD2 4.22Å; L54-V332 HydrophobicContact CD2-CG1 4.1Å |
| 55 | V | 80.4 | Confident | 67.3 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.8 | 179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | F38 E39 L40 F53 L66 Y67 M69 | F38-V55 HydrophobicContact CB-CB 4.07Å; F38-V55 HydrophobicContact CB-CG2 4.21Å; F38-V55 HydrophobicContact CD1-CB 4.28Å; F38-V55 HydrophobicContact CD1-CG2 3.58Å; F38-V55 HydrophobicContact CE1-CG2 4.29Å; F38-V55 HydrophobicContact CG-CG2 4.12Å; E39-V55 CarbonylContact O-C 3.53Å; E39-V55 WeakPolarHBondContact O-CA 3.16Å; E39-V55 WeakPolarHBondContact O-CB 3.16Å; L40-V55 HydrophobicContact CD1-CG1 4.31Å; L40-V55 HydrophobicContact CG-CG1 4.08Å; F53-V55 HydrophobicContact CB-CG1 3.92Å; V55-L66 CarbonylContact O-C 3.06Å; V55-L66 WeakPolarHBondContact O-CA 3.35Å; V55-Y67 WeakPolarHBondContact CG2-O 3.25Å; V55-Y67 PolarHBondContact N-O 2.98Å; V55-Y67 PolarHBondContact O-N 3.41Å; V55-M69 HydrophobicContact CB-CB 4.43Å; V55-M69 HydrophobicContact CG1-CB 3.6Å; V55-M69 HydrophobicContact CG1-CE 4.02Å; V55-M69 HydrophobicContact CG1-CG 4.5Å; V55-M69 HydrophobicContact CG1-SD 4.25Å; V55-M69 HydrophobicContact CG2-CB 3.88Å; V55-M69 HydrophobicContact CG2-CE 4.35Å |
| 56 | R | 81.1 | Confident | 68 | Low | 62 Ų | 62 | 40.8 Ų | 40.8 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130 | 167.3 | -170 | -175.4 | -57.9 | -78.3 | 5.3 | 109 | F38 E39 L41 V58 G64 K65 L66 | F38-R56 CarbonylContact C-O 3.55Å; F38-R56 WeakPolarHBondContact CA-O 3.45Å; E39-R56 HydrophobicContact CB-CB 4.31Å; E39-R56 PolarHBondContact N-O 2.84Å; E39-R56 PolarHBondContact O-N 3.13Å; E39-R56 IonicContact OE2-NE 3.29Å; L41-R56 HydrophobicContact CD1-CB 4.03Å; L41-R56 HydrophobicContact CG-CB 4.49Å; R56-V58 PolarHBondContact O-N 2.74Å; R56-G64 WeakPolarHBondContact CG-O 3.2Å; R56-G64 PolarHBondContact NH1-O 3.01Å; R56-K65 WeakPolarHBondContact CA-O 3.12Å; R56-L66 HydrophobicContact CB-CD2 4Å; R56-L66 HydrophobicContact CG-CD2 4.29Å |
| 57 | K | 81.3 | Confident | 69.3 | Low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.1 | 172.7 | -164.9 | 163.3 | 175.7 | -77.7 | 0 | 109.2 | E31 N37 F38 S59 D62 A63 G64 K65 Y67 Y108 | E31-K57 IonicContact OE1-NZ 3.23Å; E31-K57 IonicContact OE2-NZ 3.81Å; E31-K57 PolarHBondContact OE2-NZ 3.01Å; N37-K57 CarbonylContact O-C 3.6Å; N37-K57 WeakPolarHBondContact O-CA 3.47Å; N37-K57 WeakPolarHBondContact O-CG 3.4Å; F38-K57 HydrophobicContact CD1-CB 3.98Å; F38-K57 HydrophobicContact CD1-CG 4.14Å; F38-K57 HydrophobicContact CE1-CB 3.84Å; F38-K57 HydrophobicContact CE1-CD 3.75Å; F38-K57 HydrophobicContact CE1-CG 3.77Å; F38-K57 HydrophobicContact CZ-CD 4.03Å; F38-K57 HydrophobicContact CZ-CG 4.33Å; K57-S59 PolarHBondContact NZ-O 3.25Å; K57-D62 WeakPolarHBondContact CD-OD1 3.18Å; K57-D62 WeakPolarHBondContact CD-OD2 3.47Å; K57-D62 WeakPolarHBondContact CE-OD1 3.38Å; K57-D62 IonicContact NZ-OD1 2.76Å; K57-D62 PolarHBondContact NZ-OD1 2.78Å; K57-A63 CarbonylContact O-C 3.48Å; K57-A63 WeakPolarHBondContact O-CA 3.28Å; K57-G64 PolarHBondContact O-N 2.81Å; K57-K65 PolarHBondContact N-O 2.09Å; K57-Y67 HydrophobicContact CB-CD2 4.27Å; K57-Y67 HydrophobicContact CB-CE2 4.17Å; K57-Y67 HydrophobicContact CD-CE2 4.22Å; K57-Y108 HydrophobicContact CD-CE2 3.79Å |
| 58 | V | 76.9 | Confident | 70.7 | Confident | 78 Ų | 78 | 35.8 Ų | 35.8 | 47% | 0.473 | 22% | 0.22 | S | C | . | . | trans | -102.3 | -5.4 | -172.8 | -66.7 | 0 | 0 | 0 | 0 | 114.3 | N37 E39 R56 | N37-V58 WeakPolarHBondContact O-CG2 3.47Å; N37-V58 PolarHBondContact O-N 3.15Å; E39-V58 HydrophobicContact CB-CG1 3.67Å; R56-V58 PolarHBondContact O-N 2.74Å | ||
| 59 | S | 63.3 | Low | 72.4 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -133.8 | 163.5 | 178 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | E31 N37 K57 | E31-S59 VanDerWaalsContact OE1-C 3.29Å; E31-S59 VanDerWaalsContact OE1-CB 3.3Å; E31-S59 WeakPolarHBondContact OE1-CB 3.46Å; E31-S59 PolarHBondContact OE1-OG 3.21Å; N37-S59 PolarHBondContact ND2-OG 3.31Å; K57-S59 PolarHBondContact NZ-O 3.25Å |
| 60 | G | 60.6 | Low | 73.7 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 44% | 0.443 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 81.9 | -171.7 | 168 | 0 | 0 | 0 | 0 | 0 | 116.2 | E31 D62 A63 | E31-G60 VanDerWaalsContact OE1-CA 3.25Å; E31-G60 WeakPolarHBondContact OE1-CA 3.33Å; E31-G60 PolarHBondContact OE1-N 3.17Å; G60-D62 PolarHBondContact O-N 2.92Å; G60-A63 WeakPolarHBondContact O-CB 3.14Å; G60-A63 PolarHBondContact O-N 2.85Å; G60-A63 VanDerWaalsContact O-N 3.12Å |
| 61 | H | 53.1 | Low | 74.1 | Confident | 81 Ų | 81 | 30.8 Ų | 30.8 | 38% | 0.375 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -14.9 | -171.9 | 67 | -35.2 | 0 | 0 | 0 | 116.4 | Y108 I369 | H61-Y108 PolarHBondContact CE1-OH 2.94Å; H61-I369 WeakPolarHBondContact NE2-CG2 3.45Å |
| 62 | D | 62.7 | Low | 73.9 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 26.8 | -176 | 69.9 | -49.9 | 0 | 0 | 0 | 111.7 | K57 G60 K65 Y67 Y108 | K57-D62 WeakPolarHBondContact CD-OD1 3.18Å; K57-D62 WeakPolarHBondContact CD-OD2 3.47Å; K57-D62 WeakPolarHBondContact CE-OD1 3.38Å; K57-D62 IonicContact NZ-OD1 2.76Å; K57-D62 PolarHBondContact NZ-OD1 2.78Å; G60-D62 PolarHBondContact O-N 2.92Å; D62-K65 VanDerWaalsContact O-CB 3.23Å; D62-K65 WeakPolarHBondContact O-CB 3.06Å; D62-K65 PolarHBondContact O-N 2.86Å; D62-Y67 WeakPolarHBondContact OD2-CE2 3.48Å; D62-Y67 VanDerWaalsContact OD2-CZ 3.28Å; D62-Y67 PolarHBondContact OD2-OH 3.36Å; D62-Y108 VanDerWaalsContact CG-OH 3.22Å; D62-Y108 PolarHBondContact OD1-OH 3.47Å; D62-Y108 PolarHBondContact OD2-OH 2.69Å |
| 63 | A | 74.6 | Confident | 73.1 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 148.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K57 G60 K65 | K57-A63 CarbonylContact O-C 3.48Å; K57-A63 WeakPolarHBondContact O-CA 3.28Å; G60-A63 WeakPolarHBondContact O-CB 3.14Å; G60-A63 PolarHBondContact O-N 2.85Å; G60-A63 VanDerWaalsContact O-N 3.12Å; A63-K65 PolarHBondContact O-N 3.07Å |
| 64 | G | 72.3 | Confident | 72.2 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -22.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R56 K57 | R56-G64 WeakPolarHBondContact CG-O 3.2Å; R56-G64 PolarHBondContact NH1-O 3.01Å; K57-G64 PolarHBondContact O-N 2.81Å |
| 65 | K | 80.5 | Confident | 70.5 | Confident | 86 Ų | 86 | 33.2 Ų | 33.2 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | trans | -72.3 | 145.4 | -177.1 | -175.3 | 178.4 | 163 | -159.5 | 0 | 113.1 | R56 K57 D62 A63 Y67 | R56-K65 WeakPolarHBondContact CA-O 3.12Å; K57-K65 PolarHBondContact N-O 2.09Å; D62-K65 VanDerWaalsContact O-CB 3.23Å; D62-K65 WeakPolarHBondContact O-CB 3.06Å; D62-K65 PolarHBondContact O-N 2.86Å; A63-K65 PolarHBondContact O-N 3.07Å; K65-Y67 HydrophobicContact CB-CE2 4.2Å; K65-Y67 HydrophobicContact CD-CE1 4.26Å; K65-Y67 HydrophobicContact CD-CE2 3.96Å; K65-Y67 WeakPolarHBondContact CD-OH 3.46Å; K65-Y67 VanDerWaalsContact CE-CZ 3.5Å; K65-Y67 HydrophobicContact CG-CE2 4.02Å; K65-Y67 VanDerWaalsContact NZ-CZ 3.27Å; K65-Y67 PolarHBondContact NZ-OH 3.2Å | ||
| 66 | L | 80.1 | Confident | 68.9 | Low | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 145.2 | 175.8 | -60.5 | 173.8 | 0 | 0 | 0 | 112.9 | L41 L54 V55 R56 Y122 E329 L330 | L41-L66 HydrophobicContact CD1-CD2 3.66Å; L54-L66 HydrophobicContact CD1-CB 4.23Å; L54-L66 HydrophobicContact CD1-CD2 4.28Å; V55-L66 CarbonylContact O-C 3.06Å; V55-L66 WeakPolarHBondContact O-CA 3.35Å; R56-L66 HydrophobicContact CB-CD2 4Å; R56-L66 HydrophobicContact CG-CD2 4.29Å; L66-Y122 HydrophobicContact CB-CD1 4Å; L66-Y122 HydrophobicContact CD1-CD1 4.24Å; L66-Y122 HydrophobicContact CD1-CE1 4.32Å; L66-E329 HydrophobicContact CD1-CB 3.95Å; L66-E329 WeakPolarHBondContact CD1-O 3.32Å; L66-L330 HydrophobicContact CD1-CD2 3.78Å; L66-L330 HydrophobicContact CD2-CD2 3.81Å; L66-L330 HydrophobicContact CG-CD2 4.45Å |
| 67 | Y | 83.8 | Confident | 67.1 | Low | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161 | 178.1 | -68.8 | -79 | 0 | 0 | 0 | 111.6 | F38 V55 K57 D62 K65 H107 Y108 I119 L120 | F38-Y67 HydrophobicContact CE1-CD2 4.29Å; V55-Y67 WeakPolarHBondContact CG2-O 3.25Å; V55-Y67 PolarHBondContact N-O 2.98Å; V55-Y67 PolarHBondContact O-N 3.41Å; K57-Y67 HydrophobicContact CB-CD2 4.27Å; K57-Y67 HydrophobicContact CB-CE2 4.17Å; K57-Y67 HydrophobicContact CD-CE2 4.22Å; D62-Y67 WeakPolarHBondContact OD2-CE2 3.48Å; D62-Y67 VanDerWaalsContact OD2-CZ 3.28Å; D62-Y67 PolarHBondContact OD2-OH 3.36Å; K65-Y67 HydrophobicContact CB-CE2 4.2Å; K65-Y67 HydrophobicContact CD-CE1 4.26Å; K65-Y67 HydrophobicContact CD-CE2 3.96Å; K65-Y67 WeakPolarHBondContact CD-OH 3.46Å; K65-Y67 VanDerWaalsContact CE-CZ 3.5Å; K65-Y67 HydrophobicContact CG-CE2 4.02Å; K65-Y67 VanDerWaalsContact NZ-CZ 3.27Å; K65-Y67 PolarHBondContact NZ-OH 3.2Å; Y67-H107 AromaticContact CD1-CD2 3.96Å; Y67-H107 HydrophobicContact CE1-CB 3.93Å; Y67-H107 AromaticContact CE1-CD2 3.6Å; Y67-H107 AromaticContact CE1-CG 3.61Å; Y67-Y108 HydrophobicContact CE1-CE2 4.47Å; Y67-Y108 HydrophobicContact CE2-CE2 4.04Å; Y67-Y108 AromaticContact CZ-CE2 3.91Å; Y67-Y108 PolarHBondContact OH-OH 2.93Å; Y67-I119 VanDerWaalsContact CB-CG2 3.41Å; Y67-I119 HydrophobicContact CD1-CG2 3.86Å; Y67-I119 HydrophobicContact CD2-CG2 4.21Å; Y67-I119 HydrophobicContact CG-CG2 3.59Å; Y67-L120 WeakPolarHBondContact CD1-O 3.44Å |
| 68 | A | 82.3 | Confident | 65.2 | Low | 10 Ų | 10 | 34.6 Ų | 34.6 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L44 V52 F53 I119 L120 | L44-A68 HydrophobicContact CD1-CB 4.37Å; V52-A68 HydrophobicContact CG1-CB 4.31Å; F53-A68 CarbonylContact O-C 3.59Å; F53-A68 WeakPolarHBondContact O-CA 3.46Å; A68-I119 WeakPolarHBondContact O-CA 3.46Å; A68-L120 HydrophobicContact CB-CB 4.32Å; A68-L120 PolarHBondContact N-O 2.98Å; A68-L120 PolarHBondContact O-N 3.36Å |
| 69 | M | 79.9 | Confident | 63.3 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.9 | 175.6 | 178.6 | -172 | -68.7 | 0 | 0 | 110.7 | I35 F38 V52 F53 V55 V71 F110 L118 I119 | I35-M69 HydrophobicContact CG1-CE 4.37Å; F38-M69 HydrophobicContact CB-CE 3.52Å; F38-M69 HydrophobicContact CD1-CE 4.42Å; F38-M69 HydrophobicContact CD2-CE 3.5Å; F38-M69 HydrophobicContact CE2-CE 4.32Å; F38-M69 HydrophobicContact CG-CE 3.57Å; V52-M69 CarbonylContact C-O 3.55Å; V52-M69 WeakPolarHBondContact CA-O 3.15Å; F53-M69 HydrophobicContact CB-CB 4.48Å; F53-M69 PolarHBondContact N-O 3.31Å; F53-M69 PolarHBondContact O-N 2.66Å; V55-M69 HydrophobicContact CB-CB 4.43Å; V55-M69 HydrophobicContact CG1-CB 3.6Å; V55-M69 HydrophobicContact CG1-CE 4.02Å; V55-M69 HydrophobicContact CG1-CG 4.5Å; V55-M69 HydrophobicContact CG1-SD 4.25Å; V55-M69 HydrophobicContact CG2-CB 3.88Å; V55-M69 HydrophobicContact CG2-CE 4.35Å; M69-V71 HydrophobicContact CG-CG2 3.63Å; M69-V71 HydrophobicContact SD-CG2 3.71Å; M69-F110 HydrophobicContact CE-CZ 4Å; M69-L118 CarbonylContact C-O 3.48Å; M69-L118 WeakPolarHBondContact CA-O 3.1Å; M69-I119 HydrophobicContact CB-CD1 3.62Å; M69-I119 HydrophobicContact CE-CD1 3.72Å; M69-I119 HydrophobicContact CG-CD1 3.5Å; M69-I119 HydrophobicContact SD-CD1 4.41Å |
| 70 | K | 74.8 | Confident | 62.2 | Low | 23 Ų | 23 | 39.5 Ų | 39.5 | 10% | 0.1 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.8 | 170.5 | -174.1 | 175.4 | -160 | -173.9 | 0 | 110.7 | K51 V52 L72 H117 L118 L120 D184 | K51-K70 CarbonylContact O-C 3.53Å; V52-K70 HydrophobicContact CG2-CB 4.23Å; V52-K70 HydrophobicContact CG2-CD 4.48Å; V52-K70 HydrophobicContact CG2-CG 4.03Å; K70-L72 HydrophobicContact CD-CD2 4.37Å; K70-L72 HydrophobicContact CG-CD2 4.27Å; K70-L72 HydrophobicContact CG-CG 4.4Å; K70-H117 CarbonylContact O-C 3.56Å; K70-H117 WeakPolarHBondContact O-CA 3.43Å; K70-L118 HydrophobicContact CB-CB 4.32Å; K70-L118 PolarHBondContact N-O 3.32Å; K70-L118 PolarHBondContact O-N 2.86Å; K70-L120 HydrophobicContact CB-CD1 4.48Å; K70-D184 IonicContact NZ-OD1 2.87Å; K70-D184 PolarHBondContact NZ-OD1 2.9Å; K70-D184 IonicContact NZ-OD2 3.85Å; K70-D184 PolarHBondContact NZ-OD2 3.14Å |
| 71 | V | 68.9 | Low | 61 | Low | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 106.8 | -174.5 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | G50 K51 F53 M69 K115 L116 Y346 | G50-V71 CarbonylContact C-O 3.54Å; G50-V71 WeakPolarHBondContact CA-O 3.31Å; K51-V71 PolarHBondContact N-O 3.27Å; K51-V71 PolarHBondContact O-N 2.76Å; F53-V71 HydrophobicContact CD2-CG2 3.78Å; F53-V71 HydrophobicContact CE2-CB 4.12Å; F53-V71 HydrophobicContact CE2-CG2 3.72Å; M69-V71 HydrophobicContact CG-CG2 3.63Å; M69-V71 HydrophobicContact SD-CG2 3.71Å; V71-K115 HydrophobicContact CG1-CB 4Å; V71-K115 HydrophobicContact CG1-CD 3.45Å; V71-K115 VanDerWaalsContact CG1-CD 3.45Å; V71-K115 HydrophobicContact CG1-CG 4.29Å; V71-L116 CarbonylContact C-O 3.54Å; V71-L116 WeakPolarHBondContact CA-O 3.24Å; V71-Y346 HydrophobicContact CG1-CE2 4.08Å |
| 72 | L | 59.7 | Low | 59.9 | Low | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 144.3 | -176.3 | -53.9 | 161.1 | 0 | 0 | 0 | 111 | Y49 K70 I77 K115 L116 L118 | Y49-L72 CarbonylContact O-C 3.54Å; Y49-L72 VanDerWaalsContact O-CA 3.29Å; Y49-L72 WeakPolarHBondContact O-CA 3.26Å; K70-L72 HydrophobicContact CD-CD2 4.37Å; K70-L72 HydrophobicContact CG-CD2 4.27Å; K70-L72 HydrophobicContact CG-CG 4.4Å; L72-I77 HydrophobicContact CB-CD1 3.92Å; L72-K115 CarbonylContact O-C 3.6Å; L72-K115 WeakPolarHBondContact O-CA 3.34Å; L72-K115 WeakPolarHBondContact O-CB 3.37Å; L72-L116 HydrophobicContact CB-CB 4.36Å; L72-L116 PolarHBondContact N-O 3.44Å; L72-L116 PolarHBondContact O-N 3.23Å; L72-L118 HydrophobicContact CD1-CD1 4.07Å |
| 73 | K | 59.5 | Low | 58.4 | Low | 96 Ų | 96 | 47.8 Ų | 47.8 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.7 | -179.8 | -67.9 | 179.2 | -177.9 | 176.2 | 0 | 111.6 | Y49 A75 T76 I77 | Y49-K73 PolarHBondContact O-N 3.08Å; K73-A75 VanDerWaalsContact C-N 3.28Å; K73-A75 PolarHBondContact O-N 2.8Å; K73-T76 WeakPolarHBondContact O-CB 3.36Å; K73-T76 PolarHBondContact O-N 2.78Å; K73-I77 PolarHBondContact O-N 2.82Å |
| 74 | K | 56.8 | Low | 56.2 | Low | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.9 | -42.8 | -179.4 | -78 | -179.7 | 162.7 | 177.5 | 0 | 113 | T76 I77 V78 Q111 T112 D113 T114 L116 P352 F359 | K74-T76 PolarHBondContact O-N 2.68Å; K74-I77 PolarHBondContact O-N 2.84Å; K74-I77 VanDerWaalsContact O-N 3.13Å; K74-V78 PolarHBondContact O-N 3.15Å; K74-Q111 VanDerWaalsContact CE-OE1 3.23Å; K74-T112 WeakPolarHBondContact CE-O 3.47Å; K74-T112 PolarHBondContact NZ-O 2.98Å; K74-D113 WeakPolarHBondContact CD-O 3.37Å; K74-T114 WeakPolarHBondContact CB-O 3.2Å; K74-T114 PolarHBondContact N-O 3.3Å; K74-L116 HydrophobicContact CD-CD2 4.23Å; K74-L116 VanDerWaalsContact CE-CD2 3.43Å; K74-L116 HydrophobicContact CG-CD2 3.8Å; K74-L116 HydrophobicContact CG-CG 3.92Å; K74-P352 HydrophobicContact CB-CG 3.96Å; K74-F359 HydrophobicContact CB-CD2 3.94Å; K74-F359 HydrophobicContact CB-CE2 3.8Å; K74-F359 HydrophobicContact CD-CD2 3.88Å; K74-F359 HydrophobicContact CG-CD2 3.61Å; K74-F359 HydrophobicContact CG-CE2 3.94Å; K74-F359 HydrophobicContact CG-CG 4.27Å |
| 75 | A | 47.5 | Very low | 54.1 | Low | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K73 P352 | K73-A75 VanDerWaalsContact C-N 3.28Å; K73-A75 PolarHBondContact O-N 2.8Å; A75-P352 HydrophobicContact CB-CB 4.03Å; A75-P352 HydrophobicContact CB-CG 3.88Å |
| 76 | T | 46.3 | Very low | 51.7 | Low | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -80.8 | -21.4 | -176.6 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | Y49 K73 K74 | Y49-T76 HydrophobicContact CD1-CG2 3.94Å; Y49-T76 HydrophobicContact CE1-CG2 4.42Å; K73-T76 WeakPolarHBondContact O-CB 3.36Å; K73-T76 PolarHBondContact O-N 2.78Å; K74-T76 PolarHBondContact O-N 2.68Å |
| 77 | I | 45.1 | Very low | 49.2 | Very low | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -90.5 | -41.8 | 179 | -52.4 | 163.7 | 0 | 0 | 0 | 110.2 | L72 K73 K74 Q79 K80 L116 F359 | L72-I77 HydrophobicContact CB-CD1 3.92Å; K73-I77 PolarHBondContact O-N 2.82Å; K74-I77 PolarHBondContact O-N 2.84Å; K74-I77 VanDerWaalsContact O-N 3.13Å; I77-Q79 PolarHBondContact O-N 3.13Å; I77-Q79 VanDerWaalsContact O-N 3.09Å; I77-K80 PolarHBondContact O-N 2.75Å; I77-L116 HydrophobicContact CD1-CD1 3.49Å; I77-L116 VanDerWaalsContact CD1-CD1 3.49Å; I77-L116 HydrophobicContact CD1-CG 4.26Å; I77-F359 HydrophobicContact CB-CE1 4.05Å; I77-F359 HydrophobicContact CB-CZ 3.57Å; I77-F359 HydrophobicContact CD1-CE1 4.5Å; I77-F359 HydrophobicContact CD1-CZ 4.49Å; I77-F359 HydrophobicContact CG2-CE1 3.6Å; I77-F359 HydrophobicContact CG2-CZ 3.58Å |
| 78 | V | 40.5 | Very low | 46.9 | Very low | 30 Ų | 30 | 63.8 Ų | 63.8 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -20.9 | -173.5 | 107.7 | 0 | 0 | 0 | 0 | 113.8 | K74 K80 I358 F359 | K74-V78 PolarHBondContact O-N 3.15Å; V78-K80 PolarHBondContact O-N 2.74Å; V78-I358 HydrophobicContact CG2-CB 3.63Å; V78-I358 HydrophobicContact CG2-CD1 3.57Å; V78-I358 HydrophobicContact CG2-CG1 4.16Å; V78-I358 HydrophobicContact CG2-CG2 3.58Å; V78-F359 HydrophobicContact CB-CE2 3.84Å; V78-F359 HydrophobicContact CB-CZ 4.06Å; V78-F359 HydrophobicContact CG2-CD2 4.47Å; V78-F359 HydrophobicContact CG2-CE2 3.6Å; V78-F359 HydrophobicContact CG2-CZ 3.92Å |
| 79 | Q | 36.9 | Very low | 44.8 | Very low | 162 Ų | 162 | 67.7 Ų | 67.7 | 76% | 0.757 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4 | 175.5 | -69.3 | -175 | -43.7 | 0 | 0 | 114.1 | I77 | I77-Q79 PolarHBondContact O-N 3.13Å; I77-Q79 VanDerWaalsContact O-N 3.09Å |
| 80 | K | 40.6 | Very low | 43 | Very low | 52 Ų | 52 | 73.5 Ų | 73.5 | 23% | 0.226 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.5 | 24.2 | -165.3 | -61 | -171.9 | 172.2 | -160.3 | 0 | 115 | Y49 I77 V78 F191 S199 | Y49-K80 HydrophobicContact CE1-CD 4.11Å; Y49-K80 PolarHBondContact OH-NZ 3.42Å; I77-K80 PolarHBondContact O-N 2.75Å; V78-K80 PolarHBondContact O-N 2.74Å; K80-F191 HydrophobicContact CB-CE1 4.37Å; K80-S199 PolarHBondContact NZ-OG 3.46Å |
| 81 | A | 35.3 | Very low | 41.5 | Very low | 60 Ų | 60 | 77.6 Ų | 77.6 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | trans | -124.4 | 109.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 82 | K | 30.8 | Very low | 40.1 | Very low | 144 Ų | 144 | 81.2 Ų | 81.2 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | trans | -143.2 | 121.9 | 170.5 | -107.9 | -178 | 179.2 | 174.3 | 0 | 111.9 | ||||
| 83 | T | 30.1 | Very low | 39.6 | Very low | 112 Ų | 112 | 81.8 Ų | 81.8 | 69% | 0.687 | 42% | 0.42 | S | S | * | . | trans | 67.3 | 139.4 | 174.2 | 3.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 84 | A | 29.2 | Very low | 39.3 | Very low | 69 Ų | 69 | 78 Ų | 78 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | trans | -147 | 114.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | E | 27.6 | Very low | 39.1 | Very low | 129 Ų | 129 | 80.7 Ų | 80.7 | 60% | 0.603 | 42% | 0.417 | S | S | * | . | trans | -98.2 | 141.7 | 174.1 | -94.1 | -126.9 | 116.1 | 0 | 0 | 112.3 | K712 | E85-K712 WeakPolarHBondContact OE1-CE 3.47Å; E85-K712 IonicContact OE1-NZ 3.57Å; E85-K712 PolarHBondContact OE1-NZ 2.73Å | ||
| 86 | H | 29.8 | Very low | 39.4 | Very low | 138 Ų | 138 | 82.7 Ų | 82.7 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | trans | 63.5 | 171.4 | 157.3 | -79.9 | -70.4 | 0 | 0 | 0 | 121.6 | K712 | H86-K712 WeakPolarHBondContact NE2-CE 3.35Š| ||
| 87 | T | 27.6 | Very low | 40.2 | Very low | 69 Ų | 69 | 80.7 Ų | 80.7 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | trans | 79.9 | 128.4 | 168 | -54.2 | 0 | 0 | 0 | 0 | 117.8 | K189 | T87-K189 PolarHBondContact O-NZ 2.83Š| ||
| 88 | R | 35.9 | Very low | 41.1 | Very low | 133 Ų | 133 | 83.1 Ų | 83.1 | 50% | 0.502 | 42% | 0.416 | S | S | . | . | trans | 5.6 | 138.6 | 162.5 | -67.1 | 171.4 | 170.7 | 147.9 | -7.4 | 118.2 | E90 V93 L160 K189 | R88-E90 PolarHBondContact O-N 3.11Å; R88-V93 HydrophobicContact CB-CG2 4.03Å; R88-L160 VanDerWaalsContact NH1-C 3.27Å; R88-L160 PolarHBondContact NH1-O 3.37Å; R88-K189 PolarHBondContact O-NZ 3.04Å | ||
| 89 | T | 37.7 | Very low | 42.3 | Very low | 92 Ų | 92 | 87.8 Ų | 87.8 | 56% | 0.564 | 44% | 0.436 | S | S | * | . | trans | -50.5 | 132.4 | 173.3 | 28.9 | 0 | 0 | 0 | 0 | 111.2 | R91 Q92 V93 | T89-R91 PolarHBondContact O-N 2.8Å; T89-R91 VanDerWaalsContact O-N 3.16Å; T89-Q92 WeakPolarHBondContact O-CB 3.32Å; T89-Q92 PolarHBondContact O-N 2.68Å; T89-Q92 PolarHBondContact OG1-OE1 3.29Å; T89-V93 PolarHBondContact O-N 3.06Å | ||
| 90 | E | 43.3 | Very low | 44.2 | Very low | 121 Ų | 121 | 80.7 Ų | 80.7 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -52.6 | -40.5 | -172.8 | -167.7 | -172.8 | 150.4 | 0 | 0 | 112.9 | R88 Q92 V93 L94 | R88-E90 PolarHBondContact O-N 3.11Å; E90-Q92 PolarHBondContact O-N 2.69Å; E90-V93 WeakPolarHBondContact O-CB 3.44Å; E90-V93 PolarHBondContact O-N 3.36Å; E90-L94 HydrophobicContact CG-CD1 3.99Å; E90-L94 WeakPolarHBondContact O-CG 3.21Å; E90-L94 PolarHBondContact O-N 3.15Å |
| 91 | R | 41.7 | Very low | 46.3 | Very low | 110 Ų | 110 | 81 Ų | 81 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -52.9 | -47.9 | 172.4 | -178.7 | 172.8 | 78.1 | 85.4 | -10 | 112.8 | T89 L94 E95 | T89-R91 PolarHBondContact O-N 2.8Å; T89-R91 VanDerWaalsContact O-N 3.16Å; R91-L94 PolarHBondContact O-N 2.57Å; R91-E95 VanDerWaalsContact CD-OE1 3.3Å; R91-E95 WeakPolarHBondContact CD-OE1 3.48Å; R91-E95 VanDerWaalsContact CG-CD 3.5Å; R91-E95 HydrophobicContact CG-CG 4.32Å; R91-E95 WeakPolarHBondContact CG-OE1 3.39Å; R91-E95 IonicContact CZ-OE1 3.67Å; R91-E95 IonicContact CZ-OE2 2.71Å; R91-E95 IonicContact NE-OE1 2.69Å; R91-E95 IonicContact NH1-OE1 3.81Å; R91-E95 PolarHBondContact NH1-OE1 3.34Å; R91-E95 IonicContact NH1-OE2 2.68Å; R91-E95 PolarHBondContact NH1-OE2 3.06Å; R91-E95 WeakPolarHBondContact O-CB 3.34Å; R91-E95 VanDerWaalsContact O-CG 3.28Å; R91-E95 WeakPolarHBondContact O-CG 3.21Å; R91-E95 PolarHBondContact O-N 2.9Å |
| 92 | Q | 40.3 | Very low | 48.9 | Very low | 83 Ų | 83 | 78.1 Ų | 78.1 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | -179.6 | -66.6 | -178 | -20 | 0 | 0 | 111.4 | T89 E90 H96 | T89-Q92 WeakPolarHBondContact O-CB 3.32Å; T89-Q92 PolarHBondContact O-N 2.68Å; T89-Q92 PolarHBondContact OG1-OE1 3.29Å; E90-Q92 PolarHBondContact O-N 2.69Å; Q92-H96 PolarHBondContact O-N 3.48Å; Q92-H96 PolarHBondContact O-ND1 2.91Å |
| 93 | V | 49.7 | Very low | 51.4 | Low | 13 Ų | 13 | 71.7 Ų | 71.7 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 175.4 | 161 | 0 | 0 | 0 | 0 | 110.6 | R88 T89 E90 H96 I97 I162 | R88-V93 HydrophobicContact CB-CG2 4.03Å; T89-V93 PolarHBondContact O-N 3.06Å; E90-V93 WeakPolarHBondContact O-CB 3.44Å; E90-V93 PolarHBondContact O-N 3.36Å; V93-H96 PolarHBondContact O-N 2.85Å; V93-I97 HydrophobicContact CG1-CD1 3.69Å; V93-I97 HydrophobicContact CG1-CG1 4.49Å; V93-I97 WeakPolarHBondContact O-CB 3.48Å; V93-I97 VanDerWaalsContact O-CG1 3.3Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.9Å; V93-I162 HydrophobicContact CB-CD1 4.48Å; V93-I162 HydrophobicContact CG1-CD1 3.5Å; V93-I162 HydrophobicContact CG2-CD1 4.32Å |
| 94 | L | 52.1 | Low | 53.7 | Low | 17 Ų | 17 | 66.5 Ų | 66.5 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | -179.1 | -67.9 | 168.9 | 0 | 0 | 0 | 112.5 | E90 R91 I97 R98 F185 F364 | E90-L94 HydrophobicContact CG-CD1 3.99Å; E90-L94 WeakPolarHBondContact O-CG 3.21Å; E90-L94 PolarHBondContact O-N 3.15Å; R91-L94 PolarHBondContact O-N 2.57Å; L94-I97 PolarHBondContact O-N 3.21Å; L94-R98 WeakPolarHBondContact O-CG 3.2Å; L94-R98 PolarHBondContact O-N 3.11Å; L94-F185 HydrophobicContact CD2-CE2 3.73Å; L94-F185 HydrophobicContact CD2-CZ 3.99Å; L94-F364 HydrophobicContact CD1-CD2 4.05Å; L94-F364 HydrophobicContact CD1-CE1 4.19Å; L94-F364 HydrophobicContact CD1-CE2 3.53Å; L94-F364 HydrophobicContact CD1-CZ 3.6Å |
| 95 | E | 52.5 | Low | 55.9 | Low | 66 Ų | 66 | 64.2 Ų | 64.2 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 175.9 | -78 | 165.6 | -178.2 | 0 | 0 | 112.7 | R91 | R91-E95 VanDerWaalsContact CD-OE1 3.3Å; R91-E95 WeakPolarHBondContact CD-OE1 3.48Å; R91-E95 VanDerWaalsContact CG-CD 3.5Å; R91-E95 HydrophobicContact CG-CG 4.32Å; R91-E95 WeakPolarHBondContact CG-OE1 3.39Å; R91-E95 IonicContact CZ-OE1 3.67Å; R91-E95 IonicContact CZ-OE2 2.71Å; R91-E95 IonicContact NE-OE1 2.69Å; R91-E95 IonicContact NH1-OE1 3.81Å; R91-E95 PolarHBondContact NH1-OE1 3.34Å; R91-E95 IonicContact NH1-OE2 2.68Å; R91-E95 PolarHBondContact NH1-OE2 3.06Å; R91-E95 WeakPolarHBondContact O-CB 3.34Å; R91-E95 VanDerWaalsContact O-CG 3.28Å; R91-E95 WeakPolarHBondContact O-CG 3.21Å; R91-E95 PolarHBondContact O-N 2.9Å |
| 96 | H | 54.8 | Low | 57.9 | Low | 76 Ų | 76 | 59 Ų | 59 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.7 | -40.9 | 174.9 | -71.1 | 75.8 | 0 | 0 | 0 | 111.8 | Q92 V93 R98 Q99 H156 L160 | Q92-H96 PolarHBondContact O-N 3.48Å; Q92-H96 PolarHBondContact O-ND1 2.91Å; V93-H96 PolarHBondContact O-N 2.85Å; H96-R98 PolarHBondContact O-N 3.39Å; H96-R98 VanDerWaalsContact O-N 3.17Å; H96-Q99 WeakPolarHBondContact O-CB 3.29Å; H96-Q99 WeakPolarHBondContact O-CG 3.45Å; H96-Q99 PolarHBondContact O-N 3.02Å; H96-H156 PolarHBondContact O-NE2 3.47Å; H96-L160 HydrophobicContact CB-CD1 3.59Å; H96-L160 HydrophobicContact CB-CD2 3.41Å; H96-L160 VanDerWaalsContact CB-CD2 3.41Å; H96-L160 HydrophobicContact CB-CG 4.14Å |
| 97 | I | 63.6 | Low | 59.7 | Low | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.1 | -42.4 | 177.2 | -80.4 | 171.1 | 0 | 0 | 0 | 111.5 | V93 L94 Q99 S100 L103 L157 L160 I162 F185 | V93-I97 HydrophobicContact CG1-CD1 3.69Å; V93-I97 HydrophobicContact CG1-CG1 4.49Å; V93-I97 WeakPolarHBondContact O-CB 3.48Å; V93-I97 VanDerWaalsContact O-CG1 3.3Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.9Å; L94-I97 PolarHBondContact O-N 3.21Å; I97-Q99 PolarHBondContact O-N 2.92Å; I97-S100 PolarHBondContact O-N 3.14Å; I97-L103 HydrophobicContact CB-CD1 4.36Å; I97-L103 HydrophobicContact CG1-CD1 4.29Å; I97-L103 HydrophobicContact CG2-CB 4.04Å; I97-L103 HydrophobicContact CG2-CD1 3.87Å; I97-L157 HydrophobicContact CD1-CD2 4.01Å; I97-L157 HydrophobicContact CG1-CD2 3.95Å; I97-L160 HydrophobicContact CG1-CD1 4.05Å; I97-I162 HydrophobicContact CD1-CD1 4.08Å; I97-F185 HydrophobicContact CD1-CD2 3.71Å; I97-F185 HydrophobicContact CD1-CE2 3.58Å; I97-F185 HydrophobicContact CD1-CZ 4.29Å; I97-F185 HydrophobicContact CG2-CE1 4.22Å; I97-F185 HydrophobicContact CG2-CE2 4.35Å; I97-F185 HydrophobicContact CG2-CZ 3.99Å |
| 98 | R | 62.3 | Low | 61.5 | Low | 67 Ų | 67 | 49.7 Ų | 49.7 | 25% | 0.253 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -4.6 | 177.4 | -67.2 | 178.6 | 77.8 | 165.6 | 15.5 | 115.7 | L94 H96 T105 A366 S368 | L94-R98 WeakPolarHBondContact O-CG 3.2Å; L94-R98 PolarHBondContact O-N 3.11Å; H96-R98 PolarHBondContact O-N 3.39Å; H96-R98 VanDerWaalsContact O-N 3.17Å; R98-T105 HydrophobicContact CG-CG2 4.03Å; R98-T105 VanDerWaalsContact NE-CG2 3.3Å; R98-A366 VanDerWaalsContact NH1-CB 3.25Å; R98-S368 PolarHBondContact NH1-OG 3.49Å; R98-S368 PolarHBondContact NH2-OG 3.47Å |
| 99 | Q | 66.5 | Low | 62.6 | Low | 129 Ų | 129 | 43.6 Ų | 43.6 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -19 | 171.8 | -60 | 172.4 | -14.3 | 0 | 0 | 112.3 | H96 I97 | H96-Q99 WeakPolarHBondContact O-CB 3.29Å; H96-Q99 WeakPolarHBondContact O-CG 3.45Å; H96-Q99 PolarHBondContact O-N 3.02Å; I97-Q99 PolarHBondContact O-N 2.92Å |
| 100 | S | 77.2 | Confident | 63.7 | Low | 13 Ų | 13 | 39.9 Ų | 39.9 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -87.4 | 127.3 | 174.2 | 179 | 0 | 0 | 0 | 0 | 110.7 | I97 Y102 | I97-S100 PolarHBondContact O-N 3.14Å; S100-Y102 PolarHBondContact O-N 3.5Å; S100-Y102 PolarHBondContact OG-N 3.24Å | ||
| 101 | P | 84.1 | Confident | 64.3 | Low | 57 Ų | 57 | 36 Ų | 36 | 37% | 0.37 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 3.6 | 176.1 | 34.2 | -36.2 | 0 | 0 | 0 | 113.3 | K316 | P101-K316 HydrophobicContact CB-CD 4.11Å; P101-K316 HydrophobicContact CB-CG 4.42Å; P101-K316 HydrophobicContact CG-CG 4.42Å; P101-K316 WeakPolarHBondContact O-CE 3.19Å; P101-K316 PolarHBondContact O-NZ 2.85Å |
| 102 | Y | 89.5 | Confident | 65.2 | Low | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 5.9 | -175.2 | -63.9 | -61.2 | 0 | 0 | 0 | 113.6 | S100 E149 L152 H179 I180 L182 L313 K316 | S100-Y102 PolarHBondContact O-N 3.5Å; S100-Y102 PolarHBondContact OG-N 3.24Å; Y102-E149 HydrophobicContact CD1-CB 3.79Å; Y102-E149 HydrophobicContact CD1-CG 4.17Å; Y102-E149 HydrophobicContact CE1-CB 3.62Å; Y102-E149 HydrophobicContact CE1-CG 3.46Å; Y102-E149 VanDerWaalsContact CE1-CG 3.46Å; Y102-E149 WeakPolarHBondContact CE1-OE1 3.38Å; Y102-E149 HydrophobicContact CE2-CB 4.42Å; Y102-E149 HydrophobicContact CE2-CG 4.37Å; Y102-E149 HydrophobicContact CG-CB 4.28Å; Y102-E149 WeakPolarHBondContact OH-CG 3.41Å; Y102-E149 PolarHBondContact OH-OE1 2.8Å; Y102-L152 HydrophobicContact CD2-CB 4.29Å; Y102-L152 HydrophobicContact CE2-CD1 4.02Å; Y102-H179 HydrophobicContact CE1-CB 4.23Å; Y102-I180 WeakPolarHBondContact CD1-O 3.41Å; Y102-L182 PolarHBondContact O-N 3.23Å; Y102-L313 PolarHBondContact OH-O 2.95Å; Y102-K316 HydrophobicContact CE1-CD 4.31Å; Y102-K316 HydrophobicContact CE1-CG 4.1Å |
| 103 | L | 84.1 | Confident | 66 | Low | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -118.3 | 137.9 | 176.2 | -61 | 177.7 | 0 | 0 | 0 | 109.7 | I97 A153 L157 L182 | I97-L103 HydrophobicContact CB-CD1 4.36Å; I97-L103 HydrophobicContact CG1-CD1 4.29Å; I97-L103 HydrophobicContact CG2-CB 4.04Å; I97-L103 HydrophobicContact CG2-CD1 3.87Å; L103-A153 HydrophobicContact CD2-CB 3.86Å; L103-A153 HydrophobicContact CG-CB 4.43Å; L103-L157 HydrophobicContact CD1-CD2 3.92Å; L103-L157 HydrophobicContact CD1-CG 4.04Å; L103-L157 HydrophobicContact CD2-CD1 4.12Å; L103-L157 HydrophobicContact CD2-CG 4.39Å; L103-L182 HydrophobicContact CD2-CB 3.98Å; L103-L182 HydrophobicContact CD2-CD1 4.13Å; L103-L182 HydrophobicContact CD2-CG 4.41Å |
| 104 | I | 78.5 | Confident | 66.3 | Low | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 140.2 | 177.8 | -160.6 | 76.6 | 0 | 0 | 0 | 111 | L120 D121 V123 V181 L182 T183 F185 | I104-L120 HydrophobicContact CG1-CB 4.01Å; I104-L120 HydrophobicContact CG1-CD2 4.29Å; I104-L120 HydrophobicContact CG2-CD2 4.05Å; I104-D121 HydrophobicContact CD1-CB 3.74Å; I104-D121 HydrophobicContact CG1-CB 4.29Å; I104-V123 HydrophobicContact CD1-CG2 3.43Å; I104-V123 VanDerWaalsContact CD1-CG2 3.43Å; I104-V181 HydrophobicContact CB-CG1 3.9Å; I104-V181 HydrophobicContact CD1-CG1 3.66Å; I104-V181 HydrophobicContact CG1-CG1 4.41Å; I104-L182 WeakPolarHBondContact CB-O 3.33Å; I104-L182 PolarHBondContact N-O 2.82Å; I104-T183 HydrophobicContact CD1-CG2 4.41Å; I104-F185 HydrophobicContact CG2-CD1 3.86Å; I104-F185 HydrophobicContact CG2-CE1 3.58Å; I104-F185 WeakPolarHBondContact O-CE1 3.37Å |
| 105 | T | 75.2 | Confident | 66.6 | Low | 21 Ų | 21 | 34.4 Ų | 34.4 | 13% | 0.129 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -86.1 | 126.7 | 170.2 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | R98 H107 L120 D121 | R98-T105 HydrophobicContact CG-CG2 4.03Å; R98-T105 VanDerWaalsContact NE-CG2 3.3Å; T105-H107 PolarHBondContact O-CD2 3.33Å; T105-L120 CarbonylContact O-C 3.51Å; T105-L120 VanDerWaalsContact O-CA 3.29Å; T105-L120 WeakPolarHBondContact O-CA 3.37Å; T105-D121 WeakPolarHBondContact CA-OD2 3.27Å; T105-D121 WeakPolarHBondContact CB-OD2 3.26Å; T105-D121 PolarHBondContact N-OD2 3.04Å; T105-D121 PolarHBondContact O-N 2.8Å; T105-D121 PolarHBondContact OG1-OD2 2.98Å; T105-D121 VanDerWaalsContact OG1-OD2 3.14Å |
| 106 | L | 69.1 | Low | 66.9 | Low | 19 Ų | 19 | 31.3 Ų | 31.3 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 119 | 158.4 | -175.1 | 68 | 0 | 0 | 0 | 109.2 | Y108 L118 L120 F364 A366 | L106-Y108 VanDerWaalsContact CD1-O 3.32Å; L106-Y108 WeakPolarHBondContact CD1-O 3.46Å; L106-L118 HydrophobicContact CD1-CB 3.83Å; L106-L118 HydrophobicContact CD1-CD2 3.97Å; L106-L118 HydrophobicContact CD1-CG 4.45Å; L106-L118 HydrophobicContact CD2-CD2 4.4Å; L106-L120 HydrophobicContact CB-CD2 4.17Å; L106-L120 HydrophobicContact CD1-CD2 3.76Å; L106-L120 HydrophobicContact CD1-CG 4.43Å; L106-F364 HydrophobicContact CB-CE1 4.38Å; L106-F364 HydrophobicContact CD2-CD1 3.6Å; L106-F364 HydrophobicContact CD2-CE1 3.67Å; L106-F364 HydrophobicContact CG-CD1 3.99Å; L106-F364 HydrophobicContact CG-CE1 3.82Å; L106-A366 WeakPolarHBondContact O-CB 3.32Å |
| 107 | H | 68 | Low | 67.4 | Low | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.046 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -44.6 | 176.6 | -65.9 | -87.3 | 0 | 0 | 0 | 111.8 | Y67 T105 I119 D121 M365 A366 | Y67-H107 AromaticContact CD1-CD2 3.96Å; Y67-H107 HydrophobicContact CE1-CB 3.93Å; Y67-H107 AromaticContact CE1-CD2 3.6Å; Y67-H107 AromaticContact CE1-CG 3.61Å; T105-H107 PolarHBondContact O-CD2 3.33Å; H107-I119 PolarHBondContact N-O 2.81Å; H107-D121 IonicContact CD2-OD1 3.63Å; H107-D121 IonicContact CE1-OD1 2.75Å; H107-D121 IonicContact NE2-OD1 3.14Å; H107-D121 PolarHBondContact NE2-OD1 3.36Å; H107-D121 IonicContact NE2-OD2 2.73Å; H107-M365 CarbonylContact O-C 3.58Å; H107-M365 WeakPolarHBondContact O-CA 3.37Å; H107-A366 WeakPolarHBondContact O-CB 3.43Å; H107-A366 PolarHBondContact O-N 2.86Å |
| 108 | Y | 65.1 | Low | 67.6 | Low | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 157.6 | -179.2 | -41.6 | -60.3 | 0 | 0 | 0 | 111.4 | T27 V33 F38 K57 H61 D62 Y67 L106 I119 F364 M365 I369 | T27-Y108 HydrophobicContact CG2-CD1 4.45Å; T27-Y108 HydrophobicContact CG2-CE1 4.1Å; V33-Y108 HydrophobicContact CG1-CD2 4.34Å; V33-Y108 HydrophobicContact CG1-CG 4.24Å; F38-Y108 HydrophobicContact CE1-CD2 4.42Å; F38-Y108 AromaticContact CZ-CD2 3.81Å; F38-Y108 HydrophobicContact CZ-CD2 3.81Å; F38-Y108 HydrophobicContact CZ-CE2 4.24Å; K57-Y108 HydrophobicContact CD-CE2 3.79Å; H61-Y108 PolarHBondContact CE1-OH 2.94Å; D62-Y108 VanDerWaalsContact CG-OH 3.22Å; D62-Y108 PolarHBondContact OD1-OH 3.47Å; D62-Y108 PolarHBondContact OD2-OH 2.69Å; Y67-Y108 HydrophobicContact CE1-CE2 4.47Å; Y67-Y108 HydrophobicContact CE2-CE2 4.04Å; Y67-Y108 AromaticContact CZ-CE2 3.91Å; Y67-Y108 PolarHBondContact OH-OH 2.93Å; L106-Y108 VanDerWaalsContact CD1-O 3.32Å; L106-Y108 WeakPolarHBondContact CD1-O 3.46Å; Y108-I119 HydrophobicContact CD2-CB 3.8Å; Y108-I119 HydrophobicContact CD2-CG1 4.08Å; Y108-I119 HydrophobicContact CD2-CG2 3.79Å; Y108-I119 HydrophobicContact CG-CB 4.26Å; Y108-I119 HydrophobicContact CG-CG1 4.45Å; Y108-I119 PolarHBondContact N-O 3.44Å; Y108-I119 PolarHBondContact O-N 3.4Å; Y108-F364 CarbonylContact C-O 3.49Å; Y108-M365 HydrophobicContact CD1-CB 3.88Å; Y108-M365 HydrophobicContact CD1-CG 3.57Å; Y108-M365 HydrophobicContact CD1-SD 3.17Å; Y108-M365 WeakPolarHBondContact CD1-SD 3.34Å; Y108-M365 HydrophobicContact CE1-CG 4.48Å; Y108-M365 HydrophobicContact CE1-SD 3.67Å; Y108-M365 HydrophobicContact CG-CG 4.23Å; Y108-M365 HydrophobicContact CG-SD 3.93Å; Y108-I369 HydrophobicContact CE1-CD1 4.14Å; Y108-I369 WeakPolarHBondContact OH-CD1 3.41Å |
| 109 | A | 59.6 | Low | 68.3 | Low | 6 Ų | 6 | 25.2 Ų | 25.2 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142.7 | 164 | 0 | 0 | 0 | 0 | 0 | 110.1 | H117 L118 S363 F364 | A109-H117 CarbonylContact C-O 3.5Å; A109-H117 WeakPolarHBondContact CA-O 3.35Å; A109-H117 WeakPolarHBondContact CB-O 3.5Å; A109-L118 HydrophobicContact CB-CD2 3.69Å; A109-S363 CarbonylContact O-C 3.56Å; A109-S363 WeakPolarHBondContact O-CA 3.47Å; A109-F364 HydrophobicContact CB-CB 4Å; A109-F364 HydrophobicContact CB-CD1 4.48Å; A109-F364 PolarHBondContact N-O 3.26Å; A109-F364 PolarHBondContact O-N 2.95Å |
| 110 | F | 61.3 | Low | 68.8 | Low | 13 Ų | 13 | 20 Ų | 20 | 6% | 0.057 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 165.4 | 178 | 58.4 | -90.5 | 0 | 0 | 0 | 110.7 | V33 G34 I35 F38 M69 H117 I119 | V33-F110 HydrophobicContact CG1-CD1 4.14Å; V33-F110 HydrophobicContact CG1-CE1 4.24Å; V33-F110 VanDerWaalsContact O-CB 3.27Å; V33-F110 WeakPolarHBondContact O-CB 3.49Å; V33-F110 VanDerWaalsContact O-CD1 3.25Å; V33-F110 WeakPolarHBondContact O-CD1 3.39Å; V33-F110 WeakPolarHBondContact O-CG 3.45Å; G34-F110 VanDerWaalsContact C-CZ 3.47Å; G34-F110 VanDerWaalsContact O-CZ 3.25Å; G34-F110 WeakPolarHBondContact O-CZ 3.37Å; I35-F110 HydrophobicContact CB-CE2 4.17Å; I35-F110 HydrophobicContact CB-CZ 4.46Å; F38-F110 HydrophobicContact CD2-CE1 4.15Å; F38-F110 HydrophobicContact CD2-CZ 4.17Å; F38-F110 AromaticContact CE2-CE1 3.64Å; F38-F110 HydrophobicContact CE2-CE1 3.64Å; F38-F110 HydrophobicContact CE2-CZ 4.12Å; M69-F110 HydrophobicContact CE-CZ 4Å; F110-H117 HydrophobicContact CD1-CB 4.04Å; F110-H117 HydrophobicContact CD2-CB 3.82Å; F110-H117 AromaticContact CD2-CG 3.72Å; F110-H117 AromaticContact CD2-ND1 3.62Å; F110-H117 HydrophobicContact CE1-CB 3.79Å; F110-H117 HydrophobicContact CE2-CB 3.56Å; F110-H117 AromaticContact CE2-CD2 3.61Å; F110-H117 AromaticContact CE2-CE1 3.99Å; F110-H117 AromaticContact CE2-CG 3.27Å; F110-H117 AromaticContact CE2-ND1 3.51Å; F110-H117 HydrophobicContact CG-CB 4.06Å; F110-H117 HydrophobicContact CZ-CB 3.55Å; F110-H117 AromaticContact CZ-CD2 3.89Å; F110-H117 AromaticContact CZ-CG 3.67Å; F110-H117 PolarHBondContact N-O 3.21Å; F110-H117 WeakPolarHBondContact O-CB 3.46Å; F110-H117 PolarHBondContact O-N 3.39Å; F110-H117 PolarHBondContact O-ND1 3.15Å; F110-I119 HydrophobicContact CD1-CG1 4.5Å; F110-I119 HydrophobicContact CE1-CD1 3.85Å; F110-I119 HydrophobicContact CE1-CG1 3.9Å; F110-I119 HydrophobicContact CZ-CD1 4.43Å |
| 111 | Q | 54.6 | Low | 68.9 | Low | 41 Ų | 41 | 21.6 Ų | 21.6 | 19% | 0.192 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.8 | -177.6 | 63.6 | -178.5 | -68.1 | 0 | 0 | 112.4 | K74 K115 L116 F359 | K74-Q111 VanDerWaalsContact CE-OE1 3.23Å; Q111-K115 WeakPolarHBondContact CA-O 3.41Å; Q111-L116 HydrophobicContact CB-CD2 3.65Å; Q111-F359 PolarHBondContact NE2-O 3.03Å; Q111-F359 PolarHBondContact OE1-O 3.33Å |
| 112 | T | 60.5 | Low | 68.9 | Low | 40 Ų | 40 | 20.5 Ų | 20.5 | 25% | 0.245 | 11% | 0.108 | C | C | . | . | trans | -104.1 | 176.6 | 160.6 | 60.4 | 0 | 0 | 0 | 0 | 108.4 | K74 T114 K115 | K74-T112 WeakPolarHBondContact CE-O 3.47Å; K74-T112 PolarHBondContact NZ-O 2.98Å; T112-T114 PolarHBondContact O-N 2.85Å; T112-T114 VanDerWaalsContact O-N 3.09Å; T112-K115 PolarHBondContact N-O 2.9Å; T112-K115 PolarHBondContact OG1-N 2.97Å; T112-K115 VanDerWaalsContact OG1-N 3.14Å; T112-K115 PolarHBondContact OG1-O 3.33Å | ||
| 113 | D | 58.8 | Low | 68.6 | Low | 116 Ų | 116 | 21 Ų | 21 | 62% | 0.62 | 11% | 0.111 | S | C | * | . | S | Bend | trans | -61.8 | -22.6 | -178.9 | -45.9 | -51 | 0 | 0 | 0 | 112.8 | K74 L351 | K74-D113 WeakPolarHBondContact CD-O 3.37Å; D113-L351 HydrophobicContact CB-CD2 3.81Å |
| 114 | T | 54.5 | Low | 68.3 | Low | 24 Ų | 24 | 22 Ų | 22 | 15% | 0.147 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -118.5 | -17 | -173.9 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | K74 T112 A349 L351 | K74-T114 WeakPolarHBondContact CB-O 3.2Å; K74-T114 PolarHBondContact N-O 3.3Å; T112-T114 PolarHBondContact O-N 2.85Å; T112-T114 VanDerWaalsContact O-N 3.09Å; T114-A349 WeakPolarHBondContact CG2-O 3.5Å; T114-L351 HydrophobicContact CG2-CD2 3.73Å; T114-L351 HydrophobicContact CG2-CG 3.99Å |
| 115 | K | 59.6 | Low | 68.2 | Low | 9 Ų | 9 | 21.8 Ų | 21.8 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152.8 | -175.1 | -51.3 | -175.1 | -153.8 | 172.2 | 0 | 113.1 | V71 L72 Q111 T112 Y346 S347 A349 | V71-K115 HydrophobicContact CG1-CB 4Å; V71-K115 HydrophobicContact CG1-CD 3.45Å; V71-K115 VanDerWaalsContact CG1-CD 3.45Å; V71-K115 HydrophobicContact CG1-CG 4.29Å; L72-K115 CarbonylContact O-C 3.6Å; L72-K115 WeakPolarHBondContact O-CA 3.34Å; L72-K115 WeakPolarHBondContact O-CB 3.37Å; Q111-K115 WeakPolarHBondContact CA-O 3.41Å; T112-K115 PolarHBondContact N-O 2.9Å; T112-K115 PolarHBondContact OG1-N 2.97Å; T112-K115 VanDerWaalsContact OG1-N 3.14Å; T112-K115 PolarHBondContact OG1-O 3.33Å; K115-Y346 HydrophobicContact CD-CE2 3.73Å; K115-Y346 VanDerWaalsContact NZ-CD2 3.28Å; K115-S347 WeakPolarHBondContact CE-O 3.5Å; K115-S347 PolarHBondContact NZ-O 3.1Å; K115-A349 HydrophobicContact CG-CB 4.23Å |
| 116 | L | 59 | Low | 68.3 | Low | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 145.8 | 168.4 | -50.2 | 178 | 0 | 0 | 0 | 108.5 | V71 L72 K74 I77 Q111 F359 Y362 | V71-L116 CarbonylContact C-O 3.54Å; V71-L116 WeakPolarHBondContact CA-O 3.24Å; L72-L116 HydrophobicContact CB-CB 4.36Å; L72-L116 PolarHBondContact N-O 3.44Å; L72-L116 PolarHBondContact O-N 3.23Å; K74-L116 HydrophobicContact CD-CD2 4.23Å; K74-L116 VanDerWaalsContact CE-CD2 3.43Å; K74-L116 HydrophobicContact CG-CD2 3.8Å; K74-L116 HydrophobicContact CG-CG 3.92Å; I77-L116 HydrophobicContact CD1-CD1 3.49Å; I77-L116 VanDerWaalsContact CD1-CD1 3.49Å; I77-L116 HydrophobicContact CD1-CG 4.26Å; Q111-L116 HydrophobicContact CB-CD2 3.65Å; L116-F359 HydrophobicContact CD1-CD1 3.81Å; L116-F359 HydrophobicContact CD1-CE1 4.09Å; L116-F359 HydrophobicContact CD1-CG 4.31Å; L116-F359 HydrophobicContact CD2-CB 4.2Å; L116-F359 HydrophobicContact CD2-CD1 4.48Å; L116-F359 HydrophobicContact CD2-CG 4.24Å; L116-Y362 HydrophobicContact CB-CD1 3.69Å; L116-Y362 HydrophobicContact CB-CE1 3.59Å; L116-Y362 HydrophobicContact CD1-CD1 3.66Å; L116-Y362 HydrophobicContact CD1-CD2 3.96Å; L116-Y362 HydrophobicContact CD1-CE1 3.62Å; L116-Y362 HydrophobicContact CD1-CE2 3.91Å; L116-Y362 HydrophobicContact CD1-CG 3.83Å; L116-Y362 HydrophobicContact CD2-CD1 3.81Å; L116-Y362 HydrophobicContact CD2-CE1 4.47Å; L116-Y362 HydrophobicContact CD2-CG 4.03Å; L116-Y362 HydrophobicContact CG-CD1 3.9Å; L116-Y362 HydrophobicContact CG-CE1 4.07Å; L116-Y362 HydrophobicContact CG-CG 4.37Å |
| 117 | H | 65.3 | Low | 68.8 | Low | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.8 | -177.7 | -52.9 | 71.7 | 0 | 0 | 0 | 108.1 | K70 A109 F110 Y346 | K70-H117 CarbonylContact O-C 3.56Å; K70-H117 WeakPolarHBondContact O-CA 3.43Å; A109-H117 CarbonylContact C-O 3.5Å; A109-H117 WeakPolarHBondContact CA-O 3.35Å; A109-H117 WeakPolarHBondContact CB-O 3.5Å; F110-H117 HydrophobicContact CD1-CB 4.04Å; F110-H117 HydrophobicContact CD2-CB 3.82Å; F110-H117 AromaticContact CD2-CG 3.72Å; F110-H117 AromaticContact CD2-ND1 3.62Å; F110-H117 HydrophobicContact CE1-CB 3.79Å; F110-H117 HydrophobicContact CE2-CB 3.56Å; F110-H117 AromaticContact CE2-CD2 3.61Å; F110-H117 AromaticContact CE2-CE1 3.99Å; F110-H117 AromaticContact CE2-CG 3.27Å; F110-H117 AromaticContact CE2-ND1 3.51Å; F110-H117 HydrophobicContact CG-CB 4.06Å; F110-H117 HydrophobicContact CZ-CB 3.55Å; F110-H117 AromaticContact CZ-CD2 3.89Å; F110-H117 AromaticContact CZ-CG 3.67Å; F110-H117 PolarHBondContact N-O 3.21Å; F110-H117 WeakPolarHBondContact O-CB 3.46Å; F110-H117 PolarHBondContact O-N 3.39Å; F110-H117 PolarHBondContact O-ND1 3.15Å; H117-Y346 AromaticContact NE2-CE2 3.52Å; H117-Y346 AromaticContact NE2-CZ 3.8Å; H117-Y346 PolarHBondContact NE2-OH 3.48Å |
| 118 | L | 67 | Low | 69.5 | Low | 17 Ų | 17 | 20.9 Ų | 20.9 | 9% | 0.089 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.6 | 173.2 | -59.8 | 173.4 | 0 | 0 | 0 | 107.4 | M69 K70 L72 L106 A109 Y362 | M69-L118 CarbonylContact C-O 3.48Å; M69-L118 WeakPolarHBondContact CA-O 3.1Å; K70-L118 HydrophobicContact CB-CB 4.32Å; K70-L118 PolarHBondContact N-O 3.32Å; K70-L118 PolarHBondContact O-N 2.86Å; L72-L118 HydrophobicContact CD1-CD1 4.07Å; L106-L118 HydrophobicContact CD1-CB 3.83Å; L106-L118 HydrophobicContact CD1-CD2 3.97Å; L106-L118 HydrophobicContact CD1-CG 4.45Å; L106-L118 HydrophobicContact CD2-CD2 4.4Å; A109-L118 HydrophobicContact CB-CD2 3.69Å; L118-Y362 HydrophobicContact CD2-CE1 3.73Å; L118-Y362 HydrophobicContact CG-CE1 4.32Å |
| 119 | I | 76 | Confident | 70.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 107.7 | 179 | -46.7 | -60.6 | 0 | 0 | 0 | 108.1 | F38 Y67 A68 M69 H107 Y108 F110 | F38-I119 HydrophobicContact CD2-CD1 4.46Å; F38-I119 HydrophobicContact CE1-CD1 4.4Å; F38-I119 HydrophobicContact CE1-CG1 4.41Å; F38-I119 HydrophobicContact CE1-CG2 4.06Å; F38-I119 HydrophobicContact CE2-CD1 4.06Å; F38-I119 HydrophobicContact CE2-CG1 4.08Å; F38-I119 HydrophobicContact CZ-CD1 4.04Å; F38-I119 HydrophobicContact CZ-CG1 3.79Å; F38-I119 HydrophobicContact CZ-CG2 4.17Å; Y67-I119 VanDerWaalsContact CB-CG2 3.41Å; Y67-I119 HydrophobicContact CD1-CG2 3.86Å; Y67-I119 HydrophobicContact CD2-CG2 4.21Å; Y67-I119 HydrophobicContact CG-CG2 3.59Å; A68-I119 WeakPolarHBondContact O-CA 3.46Å; M69-I119 HydrophobicContact CB-CD1 3.62Å; M69-I119 HydrophobicContact CE-CD1 3.72Å; M69-I119 HydrophobicContact CG-CD1 3.5Å; M69-I119 HydrophobicContact SD-CD1 4.41Å; H107-I119 PolarHBondContact N-O 2.81Å; Y108-I119 HydrophobicContact CD2-CB 3.8Å; Y108-I119 HydrophobicContact CD2-CG1 4.08Å; Y108-I119 HydrophobicContact CD2-CG2 3.79Å; Y108-I119 HydrophobicContact CG-CB 4.26Å; Y108-I119 HydrophobicContact CG-CG1 4.45Å; Y108-I119 PolarHBondContact N-O 3.44Å; Y108-I119 PolarHBondContact O-N 3.4Å; F110-I119 HydrophobicContact CD1-CG1 4.5Å; F110-I119 HydrophobicContact CE1-CD1 3.85Å; F110-I119 HydrophobicContact CE1-CG1 3.9Å; F110-I119 HydrophobicContact CZ-CD1 4.43Å |
| 120 | L | 77.2 | Confident | 70.7 | Confident | 19 Ų | 19 | 26 Ų | 26 | 10% | 0.099 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 164.7 | -174.3 | -60.4 | 164.8 | 0 | 0 | 0 | 110.1 | Y67 A68 K70 I104 T105 L106 Y122 | Y67-L120 WeakPolarHBondContact CD1-O 3.44Å; A68-L120 HydrophobicContact CB-CB 4.32Å; A68-L120 PolarHBondContact N-O 2.98Å; A68-L120 PolarHBondContact O-N 3.36Å; K70-L120 HydrophobicContact CB-CD1 4.48Å; I104-L120 HydrophobicContact CG1-CB 4.01Å; I104-L120 HydrophobicContact CG1-CD2 4.29Å; I104-L120 HydrophobicContact CG2-CD2 4.05Å; T105-L120 CarbonylContact O-C 3.51Å; T105-L120 VanDerWaalsContact O-CA 3.29Å; T105-L120 WeakPolarHBondContact O-CA 3.37Å; L106-L120 HydrophobicContact CB-CD2 4.17Å; L106-L120 HydrophobicContact CD1-CD2 3.76Å; L106-L120 HydrophobicContact CD1-CG 4.43Å; L120-Y122 PolarHBondContact O-N 3.32Å |
| 121 | D | 80.8 | Confident | 71.7 | Confident | 47 Ų | 47 | 25.6 Ų | 25.6 | 25% | 0.251 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.5 | 138.1 | 163.1 | -71.4 | -49.9 | 0 | 0 | 0 | 110.2 | I104 T105 H107 V123 | I104-D121 HydrophobicContact CD1-CB 3.74Å; I104-D121 HydrophobicContact CG1-CB 4.29Å; T105-D121 WeakPolarHBondContact CA-OD2 3.27Å; T105-D121 WeakPolarHBondContact CB-OD2 3.26Å; T105-D121 PolarHBondContact N-OD2 3.04Å; T105-D121 PolarHBondContact O-N 2.8Å; T105-D121 PolarHBondContact OG1-OD2 2.98Å; T105-D121 VanDerWaalsContact OG1-OD2 3.14Å; H107-D121 IonicContact CD2-OD1 3.63Å; H107-D121 IonicContact CE1-OD1 2.75Å; H107-D121 IonicContact NE2-OD1 3.14Å; H107-D121 PolarHBondContact NE2-OD1 3.36Å; H107-D121 IonicContact NE2-OD2 2.73Å; D121-V123 HydrophobicContact CB-CG2 4.2Å |
| 122 | Y | 83 | Confident | 72.9 | Confident | 35 Ų | 35 | 24 Ų | 24 | 14% | 0.137 | 12% | 0.124 | C | C | . | . | trans | -83 | 123.1 | 164.4 | 175.5 | -131.8 | 0 | 0 | 0 | 108.9 | L44 L54 L66 L120 N124 E329 D331 F335 | L44-Y122 HydrophobicContact CD1-CD2 3.9Å; L44-Y122 HydrophobicContact CD1-CE2 3.81Å; L44-Y122 HydrophobicContact CD2-CE2 4.17Å; L54-Y122 HydrophobicContact CD1-CD1 3.66Å; L54-Y122 HydrophobicContact CD1-CD2 3.74Å; L54-Y122 HydrophobicContact CD1-CE1 3.73Å; L54-Y122 HydrophobicContact CD1-CE2 3.83Å; L54-Y122 HydrophobicContact CD1-CG 3.67Å; L54-Y122 HydrophobicContact CD2-CE1 4.37Å; L66-Y122 HydrophobicContact CB-CD1 4Å; L66-Y122 HydrophobicContact CD1-CD1 4.24Å; L66-Y122 HydrophobicContact CD1-CE1 4.32Å; L120-Y122 PolarHBondContact O-N 3.32Å; Y122-N124 HydrophobicContact CD1-CB 4.4Å; Y122-N124 HydrophobicContact CE1-CB 3.72Å; Y122-N124 HydrophobicContact CE2-CB 4.34Å; Y122-E329 WeakPolarHBondContact CE1-O 3.49Å; Y122-D331 PolarHBondContact OH-O 3.44Å; Y122-F335 AromaticContact CE2-CE2 3.92Å; Y122-F335 HydrophobicContact CE2-CE2 3.92Å; Y122-F335 AromaticContact CE2-CZ 3.85Å; Y122-F335 HydrophobicContact CE2-CZ 3.85Å | ||
| 123 | V | 82.9 | Confident | 73.5 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 7% | 0.067 | 14% | 0.139 | C | C | . | . | trans | -118.3 | 100 | -175.7 | 175.3 | 0 | 0 | 0 | 0 | 107.4 | I104 D121 L173 L174 V181 F335 | I104-V123 HydrophobicContact CD1-CG2 3.43Å; I104-V123 VanDerWaalsContact CD1-CG2 3.43Å; D121-V123 HydrophobicContact CB-CG2 4.2Å; V123-L173 HydrophobicContact CB-CB 4.19Å; V123-L173 HydrophobicContact CB-CD1 3.89Å; V123-L173 HydrophobicContact CG1-CB 3.55Å; V123-L173 HydrophobicContact CG1-CD1 4.2Å; V123-L174 VanDerWaalsContact CG1-C 3.49Å; V123-L174 WeakPolarHBondContact CG1-O 3.31Å; V123-V181 HydrophobicContact CG1-CB 4.42Å; V123-V181 HydrophobicContact CG1-CG2 4.23Å; V123-V181 HydrophobicContact CG2-CB 4.43Å; V123-V181 HydrophobicContact CG2-CG1 4.34Å; V123-V181 HydrophobicContact CG2-CG2 4.34Å; V123-F335 WeakPolarHBondContact O-CZ 3.19Å | ||
| 124 | N | 77.8 | Confident | 74.4 | Confident | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.2 | -162.7 | 61.5 | -14.6 | 0 | 0 | 0 | 115.6 | Y122 G126 S176 N334 | Y122-N124 HydrophobicContact CD1-CB 4.4Å; Y122-N124 HydrophobicContact CE1-CB 3.72Å; Y122-N124 HydrophobicContact CE2-CB 4.34Å; N124-G126 PolarHBondContact O-N 3.38Å; N124-S176 WeakPolarHBondContact OD1-CB 3.36Å; N124-N334 PolarHBondContact O-ND2 2.93Å |
| 125 | G | 77.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -4.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H131 L174 N334 | G125-H131 PolarHBondContact O-NE2 3.06Å; G125-L174 CarbonylContact C-O 3.3Å; G125-L174 WeakPolarHBondContact CA-O 3.45Å; G125-L174 PolarHBondContact N-O 3.25Å; G125-N334 WeakPolarHBondContact O-CB 3.14Å |
| 126 | G | 76.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 77.9 | -172.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N124 L173 L174 N334 | N124-G126 PolarHBondContact O-N 3.38Å; G126-L173 CarbonylContact O-C 3.38Å; G126-L173 VanDerWaalsContact O-CA 3.24Å; G126-L173 WeakPolarHBondContact O-CA 3.49Å; G126-L174 PolarHBondContact O-N 2.88Å; G126-N334 WeakPolarHBondContact CA-O 3.48Å | ||
| 127 | E | 79.4 | Confident | 77.9 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 137.2 | -176.6 | -70.5 | 176.2 | -148.7 | 0 | 0 | 112.3 | F129 T130 H131 L173 | E127-F129 HydrophobicContact CB-CB 4.36Å; E127-F129 PolarHBondContact O-N 3.5Å; E127-T130 WeakPolarHBondContact O-CB 3.29Å; E127-T130 PolarHBondContact O-N 2.97Å; E127-H131 PolarHBondContact O-CD2 3.01Å; E127-H131 VanDerWaalsContact O-CD2 3.26Å; E127-H131 PolarHBondContact O-N 3.05Å; E127-L173 HydrophobicContact CB-CD2 4.23Å; E127-L173 HydrophobicContact CG-CD2 3.53Å |
| 128 | L | 83.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -26.7 | 174.4 | -176.4 | 58 | 0 | 0 | 0 | 111.8 | H131 L132 F138 Y146 L169 I172 L174 I180 L235 | L128-H131 PolarHBondContact O-N 2.77Å; L128-L132 PolarHBondContact O-N 2.88Å; L128-F138 HydrophobicContact CD1-CE2 4Å; L128-F138 HydrophobicContact CD1-CZ 3.86Å; L128-Y146 HydrophobicContact CD1-CE2 4.49Å; L128-L169 HydrophobicContact CD2-CD2 4.2Å; L128-L169 HydrophobicContact CG-CD2 4.03Å; L128-I172 HydrophobicContact CB-CB 4.12Å; L128-I172 HydrophobicContact CB-CG2 3.94Å; L128-I172 WeakPolarHBondContact CB-O 3.27Å; L128-I172 HydrophobicContact CD2-CB 4.34Å; L128-I172 HydrophobicContact CD2-CD1 4.42Å; L128-I172 HydrophobicContact CD2-CG2 3.71Å; L128-I172 HydrophobicContact CG-CG2 4.5Å; L128-I172 PolarHBondContact N-O 3.23Å; L128-L174 HydrophobicContact CD1-CD1 4.41Å; L128-L174 HydrophobicContact CD1-CD2 4.4Å; L128-I180 HydrophobicContact CD2-CD1 4.2Å; L128-L235 HydrophobicContact CD1-CD2 4.33Å; L128-L235 HydrophobicContact CD2-CD1 4.37Å; L128-L235 HydrophobicContact CD2-CD2 3.96Å; L128-L235 HydrophobicContact CG-CD2 4.04Å |
| 129 | F | 77 | Confident | 80.3 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 40% | 0.395 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.8 | -51.4 | 168.6 | -178.8 | -104.5 | 0 | 0 | 0 | 112.2 | E127 H131 L132 V133 L169 | E127-F129 HydrophobicContact CB-CB 4.36Å; E127-F129 PolarHBondContact O-N 3.5Å; F129-H131 VanDerWaalsContact C-N 3.31Å; F129-H131 PolarHBondContact O-N 2.93Å; F129-L132 WeakPolarHBondContact O-CB 3.4Å; F129-L132 PolarHBondContact O-N 3.18Å; F129-L132 VanDerWaalsContact O-N 3.15Å; F129-V133 HydrophobicContact CD1-CG2 4.38Å; F129-V133 HydrophobicContact CE1-CG2 3.93Å; F129-V133 HydrophobicContact CE2-CG2 4.14Å; F129-V133 HydrophobicContact CZ-CG2 3.79Å; F129-V133 WeakPolarHBondContact O-CG2 3.26Å; F129-V133 PolarHBondContact O-N 2.92Å; F129-L169 HydrophobicContact CB-CB 3.84Å; F129-L169 HydrophobicContact CD2-CB 4.18Å; F129-L169 HydrophobicContact CD2-CD1 3.99Å |
| 130 | T | 73.1 | Confident | 81.1 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 179.8 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | E127 V133 Q134 | E127-T130 WeakPolarHBondContact O-CB 3.29Å; E127-T130 PolarHBondContact O-N 2.97Å; T130-V133 PolarHBondContact O-N 2.67Å; T130-Q134 WeakPolarHBondContact O-CG 3.46Å; T130-Q134 PolarHBondContact O-N 3.01Å |
| 131 | H | 81.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.8 | -34.3 | 176.3 | -68.1 | -70.8 | 0 | 0 | 0 | 113.3 | G125 E127 L128 F129 R135 F138 F322 | G125-H131 PolarHBondContact O-NE2 3.06Å; E127-H131 PolarHBondContact O-CD2 3.01Å; E127-H131 VanDerWaalsContact O-CD2 3.26Å; E127-H131 PolarHBondContact O-N 3.05Å; L128-H131 PolarHBondContact O-N 2.77Å; F129-H131 VanDerWaalsContact C-N 3.31Å; F129-H131 PolarHBondContact O-N 2.93Å; H131-R135 VanDerWaalsContact O-CB 3.27Å; H131-R135 WeakPolarHBondContact O-CB 3.32Å; H131-R135 WeakPolarHBondContact O-CD 3.5Å; H131-R135 VanDerWaalsContact O-CG 3.29Å; H131-R135 WeakPolarHBondContact O-CG 3.49Å; H131-R135 PolarHBondContact O-N 3.08Å; H131-R135 VanDerWaalsContact O-N 3.1Å; H131-F138 HydrophobicContact CB-CZ 4.13Å; H131-F322 HydrophobicContact CB-CZ 3.91Å; H131-F322 AromaticContact CE1-CE2 3.87Å; H131-F322 AromaticContact CG-CZ 3.62Å; H131-F322 AromaticContact ND1-CE2 3.49Å; H131-F322 WeakPolarHBondContact ND1-CE2 3.28Å; H131-F322 AromaticContact ND1-CZ 3.52Å |
| 132 | L | 79.7 | Confident | 82.5 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 172.2 | -178.5 | 62 | 0 | 0 | 0 | 110.7 | L128 F129 Q134 R135 V136 F138 L169 E234 | L128-L132 PolarHBondContact O-N 2.88Å; F129-L132 WeakPolarHBondContact O-CB 3.4Å; F129-L132 PolarHBondContact O-N 3.18Å; F129-L132 VanDerWaalsContact O-N 3.15Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.22Å; L132-R135 CarbonylContact O-C 3.55Å; L132-R135 PolarHBondContact O-N 3.38Å; L132-R135 VanDerWaalsContact O-N 3.13Å; L132-V136 CarbonylContact O-C 3.52Å; L132-V136 WeakPolarHBondContact O-CA 3.47Å; L132-V136 PolarHBondContact O-N 2.96Å; L132-F138 HydrophobicContact CB-CE2 4.06Å; L132-F138 HydrophobicContact CD1-CD2 3.82Å; L132-F138 HydrophobicContact CD1-CE2 3.94Å; L132-L169 HydrophobicContact CD2-CD1 3.5Å; L132-L169 HydrophobicContact CD2-CD2 4.42Å; L132-E234 HydrophobicContact CD2-CG 4.04Å |
| 133 | V | 73.9 | Confident | 83.1 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 56% | 0.564 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | F129 T130 R135 | F129-V133 HydrophobicContact CD1-CG2 4.38Å; F129-V133 HydrophobicContact CE1-CG2 3.93Å; F129-V133 HydrophobicContact CE2-CG2 4.14Å; F129-V133 HydrophobicContact CZ-CG2 3.79Å; F129-V133 WeakPolarHBondContact O-CG2 3.26Å; F129-V133 PolarHBondContact O-N 2.92Å; T130-V133 PolarHBondContact O-N 2.67Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.05Å |
| 134 | Q | 76.4 | Confident | 83.7 | Confident | 125 Ų | 125 | 53.6 Ų | 53.6 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67 | -29.7 | 177.2 | -72.2 | 177.8 | 10.6 | 0 | 0 | 113.8 | T130 L132 | T130-Q134 WeakPolarHBondContact O-CG 3.46Å; T130-Q134 PolarHBondContact O-N 3.01Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.22Å |
| 135 | R | 82 | Confident | 84.5 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 33% | 0.328 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -98.5 | -11.1 | -177 | -71.4 | 169.9 | 152.9 | -118.6 | -1.1 | 114.2 | H131 L132 V133 R137 E142 F322 | H131-R135 VanDerWaalsContact O-CB 3.27Å; H131-R135 WeakPolarHBondContact O-CB 3.32Å; H131-R135 WeakPolarHBondContact O-CD 3.5Å; H131-R135 VanDerWaalsContact O-CG 3.29Å; H131-R135 WeakPolarHBondContact O-CG 3.49Å; H131-R135 PolarHBondContact O-N 3.08Å; H131-R135 VanDerWaalsContact O-N 3.1Å; L132-R135 CarbonylContact O-C 3.55Å; L132-R135 PolarHBondContact O-N 3.38Å; L132-R135 VanDerWaalsContact O-N 3.13Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.05Å; R135-R137 PolarHBondContact O-N 3.43Å; R135-E142 IonicContact CZ-OE1 2.76Å; R135-E142 IonicContact NH1-OE1 3.57Å; R135-E142 PolarHBondContact NH1-OE1 3.38Å; R135-E142 IonicContact NH1-OE2 2.7Å; R135-E142 IonicContact NH2-OE1 3.59Å; R135-F322 VanDerWaalsContact NH2-CB 3.31Å |
| 136 | V | 79.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 62% | 0.624 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 62.3 | -47.7 | -164.6 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | L132 G238 | L132-V136 CarbonylContact O-C 3.52Å; L132-V136 WeakPolarHBondContact O-CA 3.47Å; L132-V136 PolarHBondContact O-N 2.96Å; V136-G238 WeakPolarHBondContact O-CA 3.45Å |
| 137 | R | 85 | Confident | 86.3 | Confident | 123 Ų | 123 | 53.8 Ų | 53.8 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | trans | -156.7 | 158.4 | 175.3 | 58.8 | 175.7 | 179.1 | 170.6 | -0.5 | 113 | R135 L236 D268 | R135-R137 PolarHBondContact O-N 3.43Å; R137-L236 VanDerWaalsContact CD-O 3.24Å; R137-L236 WeakPolarHBondContact CD-O 3.42Å; R137-D268 IonicContact CZ-OD2 3.61Å; R137-D268 VanDerWaalsContact CZ-OD2 3.26Å; R137-D268 IonicContact NH1-OD2 2.68Å; R137-D268 PolarHBondContact NH1-OD2 2.9Å; R137-D268 IonicContact NH2-OD2 2.6Å; R137-D268 PolarHBondContact NH2-OD2 3.42Å | ||
| 138 | F | 90.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | trans | -95.8 | 156.5 | 172.5 | -69.3 | -84 | 0 | 0 | 0 | 112.1 | L128 H131 L132 E142 V143 Y146 L235 F322 | L128-F138 HydrophobicContact CD1-CE2 4Å; L128-F138 HydrophobicContact CD1-CZ 3.86Å; H131-F138 HydrophobicContact CB-CZ 4.13Å; L132-F138 HydrophobicContact CB-CE2 4.06Å; L132-F138 HydrophobicContact CD1-CD2 3.82Å; L132-F138 HydrophobicContact CD1-CE2 3.94Å; F138-E142 HydrophobicContact CB-CB 4.28Å; F138-E142 HydrophobicContact CD1-CB 4.18Å; F138-V143 HydrophobicContact CB-CG2 3.54Å; F138-Y146 HydrophobicContact CD1-CE2 4.35Å; F138-Y146 HydrophobicContact CE1-CE2 4.08Å; F138-L235 WeakPolarHBondContact CB-O 3.36Å; F138-L235 HydrophobicContact CD2-CB 4.31Å; F138-L235 HydrophobicContact CD2-CD2 3.61Å; F138-L235 HydrophobicContact CE2-CD2 3.72Å; F138-L235 PolarHBondContact N-O 3.31Å; F138-F322 HydrophobicContact CE1-CD1 4.36Å; F138-F322 AromaticContact CE1-CE1 3.73Å; F138-F322 HydrophobicContact CE1-CE1 3.73Å; F138-F322 HydrophobicContact CZ-CE1 4.25Å | ||
| 139 | K | 93.1 | Very high | 87.6 | Confident | 155 Ų | 155 | 52.4 Ų | 52.4 | 67% | 0.674 | 25% | 0.249 | S | C | * | . | trans | -80.8 | 153.4 | 173 | -57.7 | 164.9 | -172.4 | 167.8 | 0 | 110.1 | Q141 E142 V143 | K139-Q141 PolarHBondContact O-N 2.79Å; K139-E142 HydrophobicContact CB-CG 4.15Å; K139-E142 WeakPolarHBondContact CB-OE2 3.19Å; K139-E142 WeakPolarHBondContact CG-OE2 3.33Å; K139-E142 PolarHBondContact N-OE2 3.42Å; K139-E142 WeakPolarHBondContact O-CA 3.48Å; K139-E142 WeakPolarHBondContact O-CB 3.47Å; K139-E142 PolarHBondContact O-N 3.11Å; K139-V143 PolarHBondContact O-N 3.39Å | ||
| 140 | E | 93.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.1 | -34.3 | -178.7 | -61.9 | -166.1 | 153.6 | 0 | 0 | 114.6 | A144 L236 G270 A273 F304 | E140-A144 VanDerWaalsContact O-CB 3.24Å; E140-A144 WeakPolarHBondContact O-CB 3.03Å; E140-A144 PolarHBondContact O-N 3.03Å; E140-L236 HydrophobicContact CB-CD2 4.49Å; E140-L236 HydrophobicContact CG-CD2 3.94Å; E140-G270 WeakPolarHBondContact OE1-CA 3.46Å; E140-G270 PolarHBondContact OE1-N 3.4Å; E140-A273 HydrophobicContact CG-CB 4.44Å; E140-A273 VanDerWaalsContact OE1-CB 3.29Å; E140-A273 WeakPolarHBondContact OE1-CB 3.45Å; E140-F304 HydrophobicContact CB-CE2 4.28Å |
| 141 | Q | 92.7 | Very high | 89.5 | Confident | 150 Ų | 150 | 47 Ų | 47 | 70% | 0.701 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -71 | -34.9 | 177.3 | -63.4 | 178.2 | 6.6 | 0 | 0 | 112.5 | K139 L145 | K139-Q141 PolarHBondContact O-N 2.79Å; Q141-L145 WeakPolarHBondContact O-CG 3.49Å; Q141-L145 PolarHBondContact O-N 2.94Å |
| 142 | E | 94.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.1 | -43.5 | 175.8 | -52.5 | 178.6 | 106.8 | 0 | 0 | 109.7 | R135 F138 K139 L145 Y146 P321 | R135-E142 IonicContact CZ-OE1 2.76Å; R135-E142 IonicContact NH1-OE1 3.57Å; R135-E142 PolarHBondContact NH1-OE1 3.38Å; R135-E142 IonicContact NH1-OE2 2.7Å; R135-E142 IonicContact NH2-OE1 3.59Å; F138-E142 HydrophobicContact CB-CB 4.28Å; F138-E142 HydrophobicContact CD1-CB 4.18Å; K139-E142 HydrophobicContact CB-CG 4.15Å; K139-E142 WeakPolarHBondContact CB-OE2 3.19Å; K139-E142 WeakPolarHBondContact CG-OE2 3.33Å; K139-E142 PolarHBondContact N-OE2 3.42Å; K139-E142 WeakPolarHBondContact O-CA 3.48Å; K139-E142 WeakPolarHBondContact O-CB 3.47Å; K139-E142 PolarHBondContact O-N 3.11Å; E142-L145 PolarHBondContact O-N 3.2Å; E142-Y146 WeakPolarHBondContact O-CD2 3.47Å; E142-Y146 PolarHBondContact O-N 3.15Å; E142-P321 HydrophobicContact CB-CB 3.81Å; E142-P321 HydrophobicContact CB-CG 3.95Å; E142-P321 HydrophobicContact CG-CB 3.87Å; E142-P321 HydrophobicContact CG-CG 4.45Å |
| 143 | V | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | F138 K139 L145 Y146 S147 M232 L235 L236 | F138-V143 HydrophobicContact CB-CG2 3.54Å; K139-V143 PolarHBondContact O-N 3.39Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 2.77Å; V143-Y146 PolarHBondContact O-N 3.41Å; V143-S147 VanDerWaalsContact O-CB 3.28Å; V143-S147 WeakPolarHBondContact O-CB 3.45Å; V143-S147 PolarHBondContact O-N 3.02Å; V143-S147 PolarHBondContact O-OG 2.76Å; V143-M232 HydrophobicContact CG1-CB 4.46Å; V143-M232 HydrophobicContact CG1-CE 4.21Å; V143-M232 HydrophobicContact CG1-CG 4.35Å; V143-L235 HydrophobicContact CG1-CB 4.36Å; V143-L235 HydrophobicContact CG1-CD1 4.47Å; V143-L235 HydrophobicContact CG2-CB 3.8Å; V143-L236 HydrophobicContact CB-CD2 4.01Å; V143-L236 HydrophobicContact CB-CG 4.38Å; V143-L236 HydrophobicContact CG1-CD2 4.4Å; V143-L236 HydrophobicContact CG1-CG 4.25Å; V143-L236 HydrophobicContact CG2-CD2 3.57Å; V143-L236 HydrophobicContact CG2-CG 3.98Å |
| 144 | A | 95.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E140 G148 F304 I308 | E140-A144 VanDerWaalsContact O-CB 3.24Å; E140-A144 WeakPolarHBondContact O-CB 3.03Å; E140-A144 PolarHBondContact O-N 3.03Å; A144-G148 PolarHBondContact O-N 3.22Å; A144-F304 HydrophobicContact CB-CD1 4.22Å; A144-F304 HydrophobicContact CB-CE1 3.54Å; A144-F304 HydrophobicContact CB-CZ 3.71Å; A144-I308 HydrophobicContact CB-CD1 4.05Å; A144-I308 WeakPolarHBondContact O-CD1 3.43Å |
| 145 | L | 95 | Very high | 92 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.1 | -56 | 172.1 | -70.4 | 170.7 | 0 | 0 | 0 | 109.9 | Q141 E142 V143 S147 G148 E149 I308 L313 V318 P321 | Q141-L145 WeakPolarHBondContact O-CG 3.49Å; Q141-L145 PolarHBondContact O-N 2.94Å; E142-L145 PolarHBondContact O-N 3.2Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 2.77Å; L145-S147 PolarHBondContact O-N 3.34Å; L145-G148 WeakPolarHBondContact O-CA 3.2Å; L145-G148 PolarHBondContact O-N 2.77Å; L145-E149 WeakPolarHBondContact O-CG 3.49Å; L145-E149 PolarHBondContact O-N 3.42Å; L145-I308 HydrophobicContact CD2-CD1 4.02Å; L145-I308 HydrophobicContact CD2-CG1 4.2Å; L145-L313 HydrophobicContact CD2-CD1 4.34Å; L145-V318 HydrophobicContact CD2-CG1 3.66Å; L145-P321 HydrophobicContact CB-CG 4.12Å; L145-P321 HydrophobicContact CD1-CG 3.99Å |
| 146 | Y | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | -178 | -73.8 | -39.1 | 0 | 0 | 0 | 114 | L128 F138 E142 V143 G148 E149 I150 L174 G178 I180 P321 F322 | L128-Y146 HydrophobicContact CD1-CE2 4.49Å; F138-Y146 HydrophobicContact CD1-CE2 4.35Å; F138-Y146 HydrophobicContact CE1-CE2 4.08Å; E142-Y146 WeakPolarHBondContact O-CD2 3.47Å; E142-Y146 PolarHBondContact O-N 3.15Å; V143-Y146 PolarHBondContact O-N 3.41Å; Y146-G148 VanDerWaalsContact C-N 3.29Å; Y146-G148 PolarHBondContact O-N 2.95Å; Y146-E149 PolarHBondContact O-N 3.27Å; Y146-I150 VanDerWaalsContact O-CG1 3.28Å; Y146-I150 WeakPolarHBondContact O-CG1 3.29Å; Y146-I150 PolarHBondContact O-N 3.33Å; Y146-I150 VanDerWaalsContact O-N 3.08Å; Y146-L174 HydrophobicContact CE1-CD2 3.93Å; Y146-G178 VanDerWaalsContact CE1-O 3.31Å; Y146-G178 WeakPolarHBondContact CE1-O 3.28Å; Y146-G178 PolarHBondContact OH-O 3.47Å; Y146-I180 HydrophobicContact CD1-CD1 3.56Å; Y146-I180 HydrophobicContact CD1-CG1 3.69Å; Y146-I180 HydrophobicContact CE1-CD1 4.48Å; Y146-I180 HydrophobicContact CE1-CG1 4.2Å; Y146-I180 HydrophobicContact CG-CD1 3.85Å; Y146-I180 HydrophobicContact CG-CG1 4.43Å; Y146-P321 HydrophobicContact CD1-CG 4.46Å; Y146-P321 HydrophobicContact CD2-CG 4.13Å; Y146-P321 HydrophobicContact CE1-CG 4.04Å; Y146-P321 HydrophobicContact CE2-CB 4.01Å; Y146-P321 HydrophobicContact CE2-CG 3.67Å; Y146-P321 HydrophobicContact CG-CG 4.49Å; Y146-F322 HydrophobicContact CE2-CE1 4.26Å; Y146-F322 WeakPolarHBondContact OH-CD1 3.28Å; Y146-F322 WeakPolarHBondContact OH-CE1 3.35Å |
| 147 | S | 96.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.6 | -29.5 | 174.9 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | V143 L145 I150 V151 M232 Y305 | V143-S147 VanDerWaalsContact O-CB 3.28Å; V143-S147 WeakPolarHBondContact O-CB 3.45Å; V143-S147 PolarHBondContact O-N 3.02Å; V143-S147 PolarHBondContact O-OG 2.76Å; L145-S147 PolarHBondContact O-N 3.34Å; S147-I150 PolarHBondContact O-N 2.9Å; S147-V151 WeakPolarHBondContact O-CB 3.36Å; S147-V151 WeakPolarHBondContact O-CG2 3.5Å; S147-V151 PolarHBondContact O-N 3.21Å; S147-M232 VanDerWaalsContact CB-SD 3.51Å; S147-M232 VanDerWaalsContact OG-CE 3.3Å; S147-M232 WeakPolarHBondContact OG-CE 3.37Å; S147-Y305 WeakPolarHBondContact CB-OH 3.46Å; S147-Y305 VanDerWaalsContact OG-CE1 3.29Å; S147-Y305 WeakPolarHBondContact OG-CE1 3.11Å; S147-Y305 PolarHBondContact OG-OH 2.82Å |
| 148 | G | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A144 L145 Y146 I150 V151 L152 | A144-G148 PolarHBondContact O-N 3.22Å; L145-G148 WeakPolarHBondContact O-CA 3.2Å; L145-G148 PolarHBondContact O-N 2.77Å; Y146-G148 VanDerWaalsContact C-N 3.29Å; Y146-G148 PolarHBondContact O-N 2.95Å; G148-I150 VanDerWaalsContact C-N 3.32Å; G148-I150 PolarHBondContact O-N 3.19Å; G148-V151 PolarHBondContact O-N 2.69Å; G148-L152 PolarHBondContact O-N 3.48Å |
| 149 | E | 95.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.2 | -62.4 | -166.2 | 144.9 | 0 | 0 | 111.2 | Y102 L145 Y146 L152 A153 H179 I180 L313 | Y102-E149 HydrophobicContact CD1-CB 3.79Å; Y102-E149 HydrophobicContact CD1-CG 4.17Å; Y102-E149 HydrophobicContact CE1-CB 3.62Å; Y102-E149 HydrophobicContact CE1-CG 3.46Å; Y102-E149 VanDerWaalsContact CE1-CG 3.46Å; Y102-E149 WeakPolarHBondContact CE1-OE1 3.38Å; Y102-E149 HydrophobicContact CE2-CB 4.42Å; Y102-E149 HydrophobicContact CE2-CG 4.37Å; Y102-E149 HydrophobicContact CG-CB 4.28Å; Y102-E149 WeakPolarHBondContact OH-CG 3.41Å; Y102-E149 PolarHBondContact OH-OE1 2.8Å; L145-E149 WeakPolarHBondContact O-CG 3.49Å; L145-E149 PolarHBondContact O-N 3.42Å; Y146-E149 PolarHBondContact O-N 3.27Å; E149-L152 PolarHBondContact O-N 2.7Å; E149-A153 PolarHBondContact O-N 2.7Å; E149-H179 IonicContact OE1-CE1 2.76Å; E149-H179 IonicContact OE1-CG 2.87Å; E149-H179 IonicContact OE1-ND1 3.22Å; E149-H179 PolarHBondContact OE1-ND1 2.81Å; E149-I180 HydrophobicContact CB-CB 4.29Å; E149-I180 PolarHBondContact OE2-N 3.4Å; E149-L313 HydrophobicContact CG-CD1 3.88Å; E149-L313 HydrophobicContact CG-CD2 4.33Å; E149-L313 HydrophobicContact CG-CG 4.23Å |
| 150 | I | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 174.5 | -60.7 | 165.7 | 0 | 0 | 0 | 111.6 | Y146 S147 G148 L152 A153 L154 L167 I172 I180 L182 L228 L231 | Y146-I150 VanDerWaalsContact O-CG1 3.28Å; Y146-I150 WeakPolarHBondContact O-CG1 3.29Å; Y146-I150 PolarHBondContact O-N 3.33Å; Y146-I150 VanDerWaalsContact O-N 3.08Å; S147-I150 PolarHBondContact O-N 2.9Å; G148-I150 VanDerWaalsContact C-N 3.32Å; G148-I150 PolarHBondContact O-N 3.19Å; I150-L152 VanDerWaalsContact C-N 3.31Å; I150-L152 PolarHBondContact O-N 2.91Å; I150-A153 PolarHBondContact O-N 3.29Å; I150-L154 HydrophobicContact CG2-CD1 3.91Å; I150-L154 HydrophobicContact CG2-CG 4.05Å; I150-L154 WeakPolarHBondContact O-CB 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.4Å; I150-L154 PolarHBondContact O-N 3.27Å; I150-L167 HydrophobicContact CG2-CD1 4.07Å; I150-L167 HydrophobicContact CG2-CD2 3.84Å; I150-I172 HydrophobicContact CD1-CD1 4.09Å; I150-I180 HydrophobicContact CD1-CD1 3.81Å; I150-I180 HydrophobicContact CG1-CD1 3.82Å; I150-I180 HydrophobicContact CG1-CG2 4.15Å; I150-L182 HydrophobicContact CG1-CD2 4.29Å; I150-L228 HydrophobicContact CB-CD1 4.2Å; I150-L228 HydrophobicContact CD1-CD1 4.4Å; I150-L228 HydrophobicContact CG2-CD1 3.87Å; I150-L231 HydrophobicContact CD1-CD2 3.38Å |
| 151 | V | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 175.7 | 163.3 | 0 | 0 | 0 | 0 | 111.2 | S147 G148 E155 W225 L228 V299 K300 W310 | S147-V151 WeakPolarHBondContact O-CB 3.36Å; S147-V151 WeakPolarHBondContact O-CG2 3.5Å; S147-V151 PolarHBondContact O-N 3.21Å; G148-V151 PolarHBondContact O-N 2.69Å; V151-E155 WeakPolarHBondContact O-CB 3.42Å; V151-E155 PolarHBondContact O-N 3.42Å; V151-W225 HydrophobicContact CG2-CZ3 4.06Å; V151-L228 HydrophobicContact CG2-CD2 3.68Å; V151-V299 HydrophobicContact CG2-CG1 3.79Å; V151-K300 HydrophobicContact CG1-CG 3.91Å; V151-W310 HydrophobicContact CB-CH2 4.25Å; V151-W310 HydrophobicContact CB-CZ3 4.15Å; V151-W310 HydrophobicContact CG1-CH2 3.98Å; V151-W310 HydrophobicContact CG1-CZ3 3.9Å |
| 152 | L | 93.8 | Very high | 88.1 | Confident | 17 Ų | 17 | 17.2 Ų | 17.2 | 9% | 0.089 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 175 | -70.3 | 169.3 | 0 | 0 | 0 | 112 | Y102 G148 E149 I150 H156 W310 L313 A314 | Y102-L152 HydrophobicContact CD2-CB 4.29Å; Y102-L152 HydrophobicContact CE2-CD1 4.02Å; G148-L152 PolarHBondContact O-N 3.48Å; E149-L152 PolarHBondContact O-N 2.7Å; I150-L152 VanDerWaalsContact C-N 3.31Å; I150-L152 PolarHBondContact O-N 2.91Å; L152-H156 WeakPolarHBondContact O-CB 3.47Å; L152-H156 PolarHBondContact O-N 2.76Å; L152-H156 VanDerWaalsContact O-N 3.11Å; L152-W310 HydrophobicContact CD1-CE3 4.28Å; L152-W310 HydrophobicContact CD2-CE3 4.01Å; L152-W310 HydrophobicContact CG-CE3 3.99Å; L152-W310 HydrophobicContact CG-CZ3 4.18Å; L152-L313 HydrophobicContact CD1-CB 4.12Å; L152-L313 HydrophobicContact CD1-CD2 3.91Å; L152-L313 HydrophobicContact CD1-CG 3.87Å; L152-A314 HydrophobicContact CD1-CB 4.07Å; L152-A314 HydrophobicContact CD2-CB 4.38Å |
| 153 | A | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L103 E149 I150 H156 L157 L182 | L103-A153 HydrophobicContact CD2-CB 3.86Å; L103-A153 HydrophobicContact CG-CB 4.43Å; E149-A153 PolarHBondContact O-N 2.7Å; I150-A153 PolarHBondContact O-N 3.29Å; A153-H156 PolarHBondContact O-N 2.6Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 3.23Å; A153-L182 HydrophobicContact CB-CD1 3.62Å; A153-L182 HydrophobicContact CB-CG 4.15Å |
| 154 | L | 89 | Confident | 85.8 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 176.5 | -70.9 | 179 | 0 | 0 | 0 | 111.9 | I150 H156 L157 H158 Y164 L167 D224 W225 | I150-L154 HydrophobicContact CG2-CD1 3.91Å; I150-L154 HydrophobicContact CG2-CG 4.05Å; I150-L154 WeakPolarHBondContact O-CB 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.4Å; I150-L154 PolarHBondContact O-N 3.27Å; L154-H156 VanDerWaalsContact C-N 3.26Å; L154-H156 PolarHBondContact O-N 2.8Å; L154-L157 PolarHBondContact O-N 3.25Å; L154-H158 VanDerWaalsContact O-CB 3.32Å; L154-H158 WeakPolarHBondContact O-CB 3.48Å; L154-H158 PolarHBondContact O-CD2 3.48Å; L154-H158 PolarHBondContact O-N 3.3Å; L154-Y164 HydrophobicContact CD2-CD1 4.49Å; L154-Y164 HydrophobicContact CD2-CG 4.36Å; L154-L167 HydrophobicContact CD1-CD2 4.28Å; L154-D224 HydrophobicContact CD1-CB 4.08Å; L154-D224 HydrophobicContact CD2-CB 3.88Å; L154-W225 HydrophobicContact CB-CH2 3.94Å; L154-W225 HydrophobicContact CB-CZ3 4.06Å; L154-W225 HydrophobicContact CD1-CE3 3.99Å; L154-W225 HydrophobicContact CD1-CH2 4.41Å; L154-W225 HydrophobicContact CD1-CZ3 3.74Å |
| 155 | E | 90.9 | Very high | 84.6 | Confident | 18 Ų | 18 | 19.8 Ų | 19.8 | 8% | 0.084 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54.5 | -44.8 | 175.6 | -179.5 | -170.7 | -163.9 | 0 | 0 | 111.5 | V151 H158 K159 A296 K300 | V151-E155 WeakPolarHBondContact O-CB 3.42Å; V151-E155 PolarHBondContact O-N 3.42Å; E155-H158 PolarHBondContact O-N 2.94Å; E155-K159 HydrophobicContact CG-CD 4.01Å; E155-K159 HydrophobicContact CG-CG 4.47Å; E155-K159 WeakPolarHBondContact O-CB 3.28Å; E155-K159 WeakPolarHBondContact O-CG 3.42Å; E155-K159 PolarHBondContact O-N 2.83Å; E155-K159 WeakPolarHBondContact OE1-CE 3.34Å; E155-K159 IonicContact OE1-NZ 3.91Å; E155-K159 PolarHBondContact OE1-NZ 3.15Å; E155-K159 IonicContact OE2-NZ 3.52Å; E155-A296 HydrophobicContact CB-CB 3.67Å; E155-A296 HydrophobicContact CG-CB 3.73Å; E155-K300 IonicContact OE1-NZ 3.9Å; E155-K300 PolarHBondContact OE1-NZ 3.18Å; E155-K300 WeakPolarHBondContact OE2-CE 3.16Å; E155-K300 IonicContact OE2-NZ 2.74Å; E155-K300 PolarHBondContact OE2-NZ 3.25Å |
| 156 | H | 85.1 | Confident | 83.4 | Confident | 34 Ų | 34 | 20.8 Ų | 20.8 | 16% | 0.157 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 179.8 | -169.1 | 62 | 0 | 0 | 0 | 111.9 | H96 L152 A153 L154 H158 K159 L160 | H96-H156 PolarHBondContact O-NE2 3.47Å; L152-H156 WeakPolarHBondContact O-CB 3.47Å; L152-H156 PolarHBondContact O-N 2.76Å; L152-H156 VanDerWaalsContact O-N 3.11Å; A153-H156 PolarHBondContact O-N 2.6Å; L154-H156 VanDerWaalsContact C-N 3.26Å; L154-H156 PolarHBondContact O-N 2.8Å; H156-H158 VanDerWaalsContact C-N 3.32Å; H156-H158 PolarHBondContact O-N 2.67Å; H156-K159 PolarHBondContact O-N 3.2Å; H156-L160 WeakPolarHBondContact O-CG 3.31Å; H156-L160 PolarHBondContact O-N 2.81Å; H156-L160 VanDerWaalsContact O-N 3.11Å |
| 157 | L | 77.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 172.8 | -68.7 | 173.9 | 0 | 0 | 0 | 111.5 | I97 L103 A153 L154 K159 L160 G161 I162 Y164 | I97-L157 HydrophobicContact CD1-CD2 4.01Å; I97-L157 HydrophobicContact CG1-CD2 3.95Å; L103-L157 HydrophobicContact CD1-CD2 3.92Å; L103-L157 HydrophobicContact CD1-CG 4.04Å; L103-L157 HydrophobicContact CD2-CD1 4.12Å; L103-L157 HydrophobicContact CD2-CG 4.39Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 3.23Å; L154-L157 PolarHBondContact O-N 3.25Å; L157-K159 PolarHBondContact O-N 2.91Å; L157-L160 CarbonylContact O-C 3.51Å; L157-L160 WeakPolarHBondContact O-CA 3.48Å; L157-L160 WeakPolarHBondContact O-CB 3.44Å; L157-L160 PolarHBondContact O-N 3.37Å; L157-G161 PolarHBondContact O-N 3.32Å; L157-G161 VanDerWaalsContact O-N 3.15Å; L157-I162 CarbonylContact C-O 3.52Å; L157-I162 VanDerWaalsContact C-O 3.3Å; L157-I162 HydrophobicContact CB-CB 4.2Å; L157-I162 HydrophobicContact CD2-CB 4.32Å; L157-I162 HydrophobicContact CD2-CD1 4.13Å; L157-I162 HydrophobicContact CD2-CG2 4.16Å; L157-I162 WeakPolarHBondContact O-CB 3.49Å; L157-I162 PolarHBondContact O-N 2.79Å; L157-Y164 HydrophobicContact CD1-CD2 3.86Å; L157-Y164 HydrophobicContact CD1-CG 4.28Å |
| 158 | H | 81.7 | Confident | 81.8 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.051 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | -179.3 | -72.7 | -165.4 | 0 | 0 | 0 | 112.4 | L154 E155 H156 L160 G161 I162 K221 D224 W225 | L154-H158 VanDerWaalsContact O-CB 3.32Å; L154-H158 WeakPolarHBondContact O-CB 3.48Å; L154-H158 PolarHBondContact O-CD2 3.48Å; L154-H158 PolarHBondContact O-N 3.3Å; E155-H158 PolarHBondContact O-N 2.94Å; H156-H158 VanDerWaalsContact C-N 3.32Å; H156-H158 PolarHBondContact O-N 2.67Å; H158-L160 VanDerWaalsContact C-N 3.28Å; H158-L160 PolarHBondContact O-N 2.89Å; H158-G161 PolarHBondContact O-N 3.06Å; H158-I162 PolarHBondContact CD2-O 3.32Å; H158-I162 VanDerWaalsContact CD2-O 3.31Å; H158-I162 PolarHBondContact N-O 3.07Å; H158-K221 HydrophobicContact CB-CD 3.91Å; H158-K221 HydrophobicContact CB-CG 4.4Å; H158-K221 PolarHBondContact CE1-O 2.87Å; H158-K221 WeakPolarHBondContact O-CE 3.34Å; H158-K221 PolarHBondContact O-NZ 3.25Å; H158-D224 IonicContact CD2-OD2 3.96Å; H158-D224 IonicContact CE1-OD2 3.3Å; H158-D224 IonicContact NE2-OD2 1.85Å; H158-D224 PolarHBondContact NE2-OD2 3.18Å; H158-W225 AromaticContact CE1-CE2 3.7Å; H158-W225 AromaticContact CE1-CZ2 3.7Å; H158-W225 AromaticContact CE1-NE1 3.77Å; H158-W225 AromaticContact ND1-CE2 3.91Å; H158-W225 AromaticContact ND1-CZ2 3.6Å; H158-W225 AromaticContact ND1-NE1 3.95Å |
| 159 | K | 80.9 | Confident | 80.8 | Confident | 141 Ų | 141 | 22.6 Ų | 22.6 | 61% | 0.613 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -64.3 | -32 | 171.3 | -77.6 | 169.5 | 171 | 170.5 | 0 | 112 | E155 H156 L157 G161 | E155-K159 HydrophobicContact CG-CD 4.01Å; E155-K159 HydrophobicContact CG-CG 4.47Å; E155-K159 WeakPolarHBondContact O-CB 3.28Å; E155-K159 WeakPolarHBondContact O-CG 3.42Å; E155-K159 PolarHBondContact O-N 2.83Å; E155-K159 WeakPolarHBondContact OE1-CE 3.34Å; E155-K159 IonicContact OE1-NZ 3.91Å; E155-K159 PolarHBondContact OE1-NZ 3.15Å; E155-K159 IonicContact OE2-NZ 3.52Å; H156-K159 PolarHBondContact O-N 3.2Å; L157-K159 PolarHBondContact O-N 2.91Å; K159-G161 VanDerWaalsContact C-N 3.29Å; K159-G161 PolarHBondContact O-N 2.79Å |
| 160 | L | 68.9 | Low | 79.7 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.9 | -8.7 | 175.1 | -63.5 | 173.2 | 0 | 0 | 0 | 114.1 | R88 H96 I97 H156 L157 H158 I162 | R88-L160 VanDerWaalsContact NH1-C 3.27Å; R88-L160 PolarHBondContact NH1-O 3.37Å; H96-L160 HydrophobicContact CB-CD1 3.59Å; H96-L160 HydrophobicContact CB-CD2 3.41Å; H96-L160 VanDerWaalsContact CB-CD2 3.41Å; H96-L160 HydrophobicContact CB-CG 4.14Å; I97-L160 HydrophobicContact CG1-CD1 4.05Å; H156-L160 WeakPolarHBondContact O-CG 3.31Å; H156-L160 PolarHBondContact O-N 2.81Å; H156-L160 VanDerWaalsContact O-N 3.11Å; L157-L160 CarbonylContact O-C 3.51Å; L157-L160 WeakPolarHBondContact O-CA 3.48Å; L157-L160 WeakPolarHBondContact O-CB 3.44Å; L157-L160 PolarHBondContact O-N 3.37Å; H158-L160 VanDerWaalsContact C-N 3.28Å; H158-L160 PolarHBondContact O-N 2.89Å; L160-I162 HydrophobicContact CB-CD1 3.8Å; L160-I162 HydrophobicContact CB-CG1 4.17Å; L160-I162 HydrophobicContact CD1-CD1 4.38Å |
| 161 | G | 69.4 | Low | 79 | Confident | 44 Ų | 44 | 25.5 Ų | 25.5 | 45% | 0.454 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 19.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L157 H158 K159 | L157-G161 PolarHBondContact O-N 3.32Å; L157-G161 VanDerWaalsContact O-N 3.15Å; H158-G161 PolarHBondContact O-N 3.06Å; K159-G161 VanDerWaalsContact C-N 3.29Å; K159-G161 PolarHBondContact O-N 2.79Å |
| 162 | I | 69.8 | Low | 78.4 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 9% | 0.092 | 13% | 0.13 | C | C | . | . | trans | -108.4 | 141 | -175.6 | -53.9 | 164.5 | 0 | 0 | 0 | 108.3 | V93 I97 L157 H158 L160 | V93-I162 HydrophobicContact CB-CD1 4.48Å; V93-I162 HydrophobicContact CG1-CD1 3.5Å; V93-I162 HydrophobicContact CG2-CD1 4.32Å; I97-I162 HydrophobicContact CD1-CD1 4.08Å; L157-I162 CarbonylContact C-O 3.52Å; L157-I162 VanDerWaalsContact C-O 3.3Å; L157-I162 HydrophobicContact CB-CB 4.2Å; L157-I162 HydrophobicContact CD2-CB 4.32Å; L157-I162 HydrophobicContact CD2-CD1 4.13Å; L157-I162 HydrophobicContact CD2-CG2 4.16Å; L157-I162 WeakPolarHBondContact O-CB 3.49Å; L157-I162 PolarHBondContact O-N 2.79Å; H158-I162 PolarHBondContact CD2-O 3.32Å; H158-I162 VanDerWaalsContact CD2-O 3.31Å; H158-I162 PolarHBondContact N-O 3.07Å; L160-I162 HydrophobicContact CB-CD1 3.8Å; L160-I162 HydrophobicContact CB-CG1 4.17Å; L160-I162 HydrophobicContact CD1-CD1 4.38Å | ||
| 163 | V | 67.9 | Low | 78 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | trans | -114.4 | 133.7 | 171.2 | -171.6 | 0 | 0 | 0 | 0 | 106.5 | R165 K221 V223 D224 | V163-R165 HydrophobicContact CB-CG 4.01Å; V163-R165 HydrophobicContact CG1-CG 3.65Å; V163-K221 HydrophobicContact CG2-CG 4.05Å; V163-V223 HydrophobicContact CG1-CG2 3.55Å; V163-D224 VanDerWaalsContact CG1-OD2 3.28Å; V163-D224 WeakPolarHBondContact CG1-OD2 3.11Å | ||
| 164 | Y | 73.5 | Confident | 77.9 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | trans | -77.3 | -40.9 | -169.5 | -176.3 | -114.2 | 0 | 0 | 0 | 112.3 | L154 L157 D166 L167 L182 T183 F185 S188 D224 | L154-Y164 HydrophobicContact CD2-CD1 4.49Å; L154-Y164 HydrophobicContact CD2-CG 4.36Å; L157-Y164 HydrophobicContact CD1-CD2 3.86Å; L157-Y164 HydrophobicContact CD1-CG 4.28Å; Y164-D166 WeakPolarHBondContact CE1-O 3.46Å; Y164-D166 PolarHBondContact O-N 3.47Å; Y164-L167 HydrophobicContact CD1-CB 3.9Å; Y164-L167 HydrophobicContact CD1-CD1 4.43Å; Y164-L167 HydrophobicContact CE1-CB 4.01Å; Y164-L167 HydrophobicContact CE1-CD1 4.06Å; Y164-L182 HydrophobicContact CE2-CB 4.46Å; Y164-T183 VanDerWaalsContact CE2-O 3.29Å; Y164-T183 WeakPolarHBondContact CE2-O 3.46Å; Y164-T183 PolarHBondContact OH-O 2.83Å; Y164-F185 HydrophobicContact CD2-CB 4.08Å; Y164-F185 HydrophobicContact CE2-CB 3.9Å; Y164-S188 VanDerWaalsContact O-CB 3.3Å; Y164-S188 WeakPolarHBondContact O-CB 3.35Å; Y164-S188 PolarHBondContact O-OG 2.93Å; Y164-D224 PolarHBondContact N-OD1 3.16Å; Y164-D224 PolarHBondContact N-OD2 3.16Å | ||
| 165 | R | 70.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 27.2 Ų | 27.2 | 23% | 0.234 | 14% | 0.139 | C | C | . | . | trans | 60.4 | 8 | 170.3 | -54.5 | -179.6 | 178.1 | 169 | 0.9 | 116.9 | V163 F191 Q193 R196 V223 D224 | V163-R165 HydrophobicContact CB-CG 4.01Å; V163-R165 HydrophobicContact CG1-CG 3.65Å; R165-F191 PolarHBondContact NH1-O 3.06Å; R165-Q193 VanDerWaalsContact CZ-NE2 3.33Å; R165-Q193 VanDerWaalsContact NH2-CD 3.25Å; R165-R196 PolarHBondContact O-NH2 3.38Å; R165-V223 HydrophobicContact CG-CG2 4.34Å; R165-D224 PolarHBondContact N-OD1 2.93Å | ||
| 166 | D | 69.1 | Low | 77.3 | Confident | 53 Ų | 53 | 28.9 Ų | 28.9 | 28% | 0.283 | 15% | 0.153 | S | C | . | . | trans | -147.4 | 42.3 | -178.2 | -138.9 | 61.4 | 0 | 0 | 0 | 112 | Y164 K168 N171 R196 | Y164-D166 WeakPolarHBondContact CE1-O 3.46Å; Y164-D166 PolarHBondContact O-N 3.47Å; D166-K168 PolarHBondContact O-N 2.82Å; D166-N171 PolarHBondContact O-ND2 3.44Å; D166-N171 PolarHBondContact OD2-ND2 3.39Å; D166-R196 VanDerWaalsContact CG-NH2 3.28Å; D166-R196 IonicContact OD1-CZ 3.07Å; D166-R196 IonicContact OD1-NH2 2.82Å; D166-R196 PolarHBondContact OD1-NH2 3.02Å | ||
| 167 | L | 81.1 | Confident | 77.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -82.6 | 116.1 | 177.3 | -172.2 | 67.3 | 0 | 0 | 0 | 111.1 | I150 L154 Y164 I172 L182 Y206 L228 L231 | I150-L167 HydrophobicContact CG2-CD1 4.07Å; I150-L167 HydrophobicContact CG2-CD2 3.84Å; L154-L167 HydrophobicContact CD1-CD2 4.28Å; Y164-L167 HydrophobicContact CD1-CB 3.9Å; Y164-L167 HydrophobicContact CD1-CD1 4.43Å; Y164-L167 HydrophobicContact CE1-CB 4.01Å; Y164-L167 HydrophobicContact CE1-CD1 4.06Å; L167-I172 HydrophobicContact CD1-CD1 3.86Å; L167-I172 HydrophobicContact CD1-CG1 4.22Å; L167-L182 HydrophobicContact CD1-CD2 3.93Å; L167-Y206 WeakPolarHBondContact O-CD1 3.42Å; L167-L228 HydrophobicContact CD2-CB 3.98Å; L167-L228 HydrophobicContact CD2-CD1 4.32Å; L167-L231 HydrophobicContact CD1-CD2 4.35Å; L167-L231 HydrophobicContact CD2-CD2 4.3Å; L167-L231 HydrophobicContact CG-CD2 4.24Å | ||
| 168 | K | 77.3 | Confident | 77.9 | Confident | 39 Ų | 39 | 31.1 Ų | 31.1 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -164 | 160.8 | -174.8 | 60.3 | 178.1 | -163.7 | 136.6 | 0 | 109.4 | D166 E170 N171 I172 Y206 | D166-K168 PolarHBondContact O-N 2.82Å; K168-E170 VanDerWaalsContact C-N 3.32Å; K168-E170 VanDerWaalsContact CB-OE2 3.29Å; K168-E170 WeakPolarHBondContact CB-OE2 3.3Å; K168-E170 VanDerWaalsContact CD-OE2 3.24Å; K168-E170 WeakPolarHBondContact CD-OE2 3.47Å; K168-E170 WeakPolarHBondContact CG-OE2 3.37Å; K168-E170 VanDerWaalsContact NZ-CD 3.3Å; K168-E170 IonicContact NZ-OE1 3.21Å; K168-E170 PolarHBondContact NZ-OE1 3.04Å; K168-E170 IonicContact NZ-OE2 3.57Å; K168-E170 PolarHBondContact O-N 2.91Å; K168-N171 WeakPolarHBondContact CE-ND2 3.18Å; K168-N171 WeakPolarHBondContact CE-OD1 3.48Å; K168-N171 HydrophobicContact CG-CB 4.09Å; K168-N171 PolarHBondContact O-N 2.84Å; K168-I172 WeakPolarHBondContact O-CG1 3.42Å; K168-Y206 HydrophobicContact CB-CD1 4.2Å; K168-Y206 HydrophobicContact CB-CD2 3.53Å; K168-Y206 HydrophobicContact CB-CE1 4.1Å; K168-Y206 HydrophobicContact CB-CE2 3.36Å; K168-Y206 HydrophobicContact CB-CG 3.93Å |
| 169 | L | 76 | Confident | 78.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -59.8 | -35.8 | -171.9 | -72.9 | 168.7 | 0 | 0 | 0 | 114.4 | L128 F129 L132 N171 I172 Y206 L231 E234 L235 | L128-L169 HydrophobicContact CD2-CD2 4.2Å; L128-L169 HydrophobicContact CG-CD2 4.03Å; F129-L169 HydrophobicContact CB-CB 3.84Å; F129-L169 HydrophobicContact CD2-CB 4.18Å; F129-L169 HydrophobicContact CD2-CD1 3.99Å; L132-L169 HydrophobicContact CD2-CD1 3.5Å; L132-L169 HydrophobicContact CD2-CD2 4.42Å; L169-N171 VanDerWaalsContact C-N 3.28Å; L169-N171 PolarHBondContact O-N 2.66Å; L169-I172 PolarHBondContact O-N 2.8Å; L169-Y206 PolarHBondContact N-OH 3.43Å; L169-L231 HydrophobicContact CD2-CD1 3.56Å; L169-L231 HydrophobicContact CG-CD1 3.72Å; L169-E234 HydrophobicContact CD1-CG 3.91Å; L169-E234 VanDerWaalsContact CD1-OE2 3.31Å; L169-E234 WeakPolarHBondContact CD1-OE2 3.28Å; L169-L235 HydrophobicContact CD2-CD2 3.7Å; L169-L235 HydrophobicContact CD2-CG 4.24Å |
| 170 | E | 72.3 | Confident | 78.9 | Confident | 56 Ų | 56 | 24.5 Ų | 24.5 | 26% | 0.262 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -73.5 | -20 | -175.5 | -36.3 | 94.7 | 99 | 0 | 0 | 112.7 | K168 I172 | K168-E170 VanDerWaalsContact C-N 3.32Å; K168-E170 VanDerWaalsContact CB-OE2 3.29Å; K168-E170 WeakPolarHBondContact CB-OE2 3.3Å; K168-E170 VanDerWaalsContact CD-OE2 3.24Å; K168-E170 WeakPolarHBondContact CD-OE2 3.47Å; K168-E170 WeakPolarHBondContact CG-OE2 3.37Å; K168-E170 VanDerWaalsContact NZ-CD 3.3Å; K168-E170 IonicContact NZ-OE1 3.21Å; K168-E170 PolarHBondContact NZ-OE1 3.04Å; K168-E170 IonicContact NZ-OE2 3.57Å; K168-E170 PolarHBondContact O-N 2.91Å; E170-I172 VanDerWaalsContact C-N 3.34Å |
| 171 | N | 78.1 | Confident | 79.8 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -90.1 | -0.3 | 177.7 | -73.5 | 1.1 | 0 | 0 | 0 | 112.7 | D166 K168 L169 T183 | D166-N171 PolarHBondContact O-ND2 3.44Å; D166-N171 PolarHBondContact OD2-ND2 3.39Å; K168-N171 WeakPolarHBondContact CE-ND2 3.18Å; K168-N171 WeakPolarHBondContact CE-OD1 3.48Å; K168-N171 HydrophobicContact CG-CB 4.09Å; K168-N171 PolarHBondContact O-N 2.84Å; L169-N171 VanDerWaalsContact C-N 3.28Å; L169-N171 PolarHBondContact O-N 2.66Å; N171-T183 PolarHBondContact O-N 3.04Å; N171-T183 PolarHBondContact O-OG1 3.02Å |
| 172 | I | 84.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.8 | -176.1 | -57.8 | 170.2 | 0 | 0 | 0 | 108.6 | L128 I150 L167 K168 L169 E170 I180 L182 L231 | L128-I172 HydrophobicContact CB-CB 4.12Å; L128-I172 HydrophobicContact CB-CG2 3.94Å; L128-I172 WeakPolarHBondContact CB-O 3.27Å; L128-I172 HydrophobicContact CD2-CB 4.34Å; L128-I172 HydrophobicContact CD2-CD1 4.42Å; L128-I172 HydrophobicContact CD2-CG2 3.71Å; L128-I172 HydrophobicContact CG-CG2 4.5Å; L128-I172 PolarHBondContact N-O 3.23Å; I150-I172 HydrophobicContact CD1-CD1 4.09Å; L167-I172 HydrophobicContact CD1-CD1 3.86Å; L167-I172 HydrophobicContact CD1-CG1 4.22Å; K168-I172 WeakPolarHBondContact O-CG1 3.42Å; L169-I172 PolarHBondContact O-N 2.8Å; E170-I172 VanDerWaalsContact C-N 3.34Å; I172-I180 HydrophobicContact CG2-CB 4.4Å; I172-I180 HydrophobicContact CG2-CD1 3.86Å; I172-I180 HydrophobicContact CG2-CG1 3.75Å; I172-I180 HydrophobicContact CG2-CG2 3.97Å; I172-L182 HydrophobicContact CD1-CD2 4.45Å; I172-L182 HydrophobicContact CG1-CD2 3.77Å; I172-L231 HydrophobicContact CD1-CD1 3.8Å; I172-L231 HydrophobicContact CD1-CD2 3.48Å; I172-L231 VanDerWaalsContact CD1-CD2 3.48Å; I172-L231 HydrophobicContact CD1-CG 4.29Å |
| 173 | L | 85.6 | Confident | 80.8 | Confident | 24 Ų | 24 | 22.1 Ų | 22.1 | 13% | 0.126 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 159.9 | 175.1 | -57.1 | -176.4 | 0 | 0 | 0 | 111.2 | V123 G126 E127 I180 V181 T183 | V123-L173 HydrophobicContact CB-CB 4.19Å; V123-L173 HydrophobicContact CB-CD1 3.89Å; V123-L173 HydrophobicContact CG1-CB 3.55Å; V123-L173 HydrophobicContact CG1-CD1 4.2Å; G126-L173 CarbonylContact O-C 3.38Å; G126-L173 VanDerWaalsContact O-CA 3.24Å; G126-L173 WeakPolarHBondContact O-CA 3.49Å; E127-L173 HydrophobicContact CB-CD2 4.23Å; E127-L173 HydrophobicContact CG-CD2 3.53Å; L173-I180 CarbonylContact O-C 3.28Å; L173-I180 WeakPolarHBondContact O-CA 3.2Å; L173-V181 PolarHBondContact N-O 2.97Å; L173-V181 PolarHBondContact O-N 3.11Å; L173-T183 HydrophobicContact CB-CG2 4.43Å; L173-T183 HydrophobicContact CD1-CG2 3.63Å; L173-T183 HydrophobicContact CG-CG2 3.66Å |
| 174 | L | 86.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.7 | 170.4 | -60.1 | -174.6 | 0 | 0 | 0 | 111.5 | V123 G125 G126 L128 Y146 H179 I180 F322 P324 | V123-L174 VanDerWaalsContact CG1-C 3.49Å; V123-L174 WeakPolarHBondContact CG1-O 3.31Å; G125-L174 CarbonylContact C-O 3.3Å; G125-L174 WeakPolarHBondContact CA-O 3.45Å; G125-L174 PolarHBondContact N-O 3.25Å; G126-L174 PolarHBondContact O-N 2.88Å; L128-L174 HydrophobicContact CD1-CD1 4.41Å; L128-L174 HydrophobicContact CD1-CD2 4.4Å; Y146-L174 HydrophobicContact CE1-CD2 3.93Å; L174-H179 CarbonylContact C-O 3.54Å; L174-H179 WeakPolarHBondContact CA-O 3.45Å; L174-I180 HydrophobicContact CD2-CG1 3.83Å; L174-F322 HydrophobicContact CD1-CE1 3.99Å; L174-F322 HydrophobicContact CD1-CE2 4.22Å; L174-F322 HydrophobicContact CD1-CZ 3.46Å; L174-F322 VanDerWaalsContact CD1-CZ 3.46Å; L174-P324 HydrophobicContact CB-CG 4.11Å; L174-P324 HydrophobicContact CD1-CG 4.36Å |
| 175 | D | 84.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 24.3 Ų | 24.3 | 15% | 0.15 | 13% | 0.125 | C | C | . | . | trans | -72.4 | 173 | 172.4 | 78.8 | 19.5 | 0 | 0 | 0 | 112.5 | N177 G178 H179 V181 K316 | D175-N177 PolarHBondContact O-N 2.85Å; D175-N177 WeakPolarHBondContact OD1-CA 3.44Å; D175-N177 PolarHBondContact OD1-N 3.38Å; D175-G178 WeakPolarHBondContact O-CA 3.45Å; D175-G178 PolarHBondContact O-N 3.24Å; D175-G178 PolarHBondContact OD1-N 3.11Å; D175-H179 PolarHBondContact N-O 2.65Å; D175-H179 IonicContact OD1-CD2 3.49Å; D175-H179 PolarHBondContact OD1-N 2.81Å; D175-H179 VanDerWaalsContact OD1-N 3.09Å; D175-H179 IonicContact OD2-CD2 3.89Å; D175-V181 HydrophobicContact CB-CG2 4.12Å; D175-K316 IonicContact OD2-NZ 2.63Å; D175-K316 PolarHBondContact OD2-NZ 3.39Å | ||
| 176 | S | 84.1 | Confident | 78.6 | Confident | 53 Ų | 53 | 23.4 Ų | 23.4 | 37% | 0.371 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.8 | -175.8 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | N124 K323 | N124-S176 WeakPolarHBondContact OD1-CB 3.36Å; S176-K323 WeakPolarHBondContact O-CE 3.28Å; S176-K323 WeakPolarHBondContact O-CG 3.37Å |
| 177 | N | 85.8 | Confident | 77.4 | Confident | 82 Ų | 82 | 22.3 Ų | 22.3 | 44% | 0.439 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -9.8 | 172.5 | -67.9 | -49.3 | 0 | 0 | 0 | 113.1 | D175 A320 K323 | D175-N177 PolarHBondContact O-N 2.85Å; D175-N177 WeakPolarHBondContact OD1-CA 3.44Å; D175-N177 PolarHBondContact OD1-N 3.38Å; N177-A320 WeakPolarHBondContact O-CB 3.3Å; N177-K323 WeakPolarHBondContact OD1-CE 3.44Å; N177-K323 PolarHBondContact OD1-NZ 2.88Å |
| 178 | G | 87.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 103.3 | 8.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y146 D175 A320 F322 P324 | Y146-G178 VanDerWaalsContact CE1-O 3.31Å; Y146-G178 WeakPolarHBondContact CE1-O 3.28Å; Y146-G178 PolarHBondContact OH-O 3.47Å; D175-G178 WeakPolarHBondContact O-CA 3.45Å; D175-G178 PolarHBondContact O-N 3.24Å; D175-G178 PolarHBondContact OD1-N 3.11Å; G178-A320 VanDerWaalsContact C-CB 3.42Å; G178-A320 WeakPolarHBondContact O-CB 3.06Å; G178-F322 WeakPolarHBondContact CA-O 3.25Å; G178-P324 VanDerWaalsContact CA-CD 3.45Å |
| 179 | H | 92.3 | Very high | 73.4 | Confident | 13 Ų | 13 | 25.6 Ų | 25.6 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | trans | -83.1 | 153.9 | 176.5 | -61.1 | -83 | 0 | 0 | 0 | 111.9 | Y102 E149 L174 D175 K316 V318 | Y102-H179 HydrophobicContact CE1-CB 4.23Å; E149-H179 IonicContact OE1-CE1 2.76Å; E149-H179 IonicContact OE1-CG 2.87Å; E149-H179 IonicContact OE1-ND1 3.22Å; E149-H179 PolarHBondContact OE1-ND1 2.81Å; L174-H179 CarbonylContact C-O 3.54Å; L174-H179 WeakPolarHBondContact CA-O 3.45Å; D175-H179 PolarHBondContact N-O 2.65Å; D175-H179 IonicContact OD1-CD2 3.49Å; D175-H179 PolarHBondContact OD1-N 2.81Å; D175-H179 VanDerWaalsContact OD1-N 3.09Å; D175-H179 IonicContact OD2-CD2 3.89Å; H179-K316 HydrophobicContact CB-CD 4.25Å; H179-K316 VanDerWaalsContact CB-CE 3.44Å; H179-V318 PolarHBondContact CE1-O 3.06Å; H179-V318 VanDerWaalsContact CE1-O 3.31Å | ||
| 180 | I | 91.5 | Very high | 71.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 146.5 | 178.5 | -82.2 | 175.8 | 0 | 0 | 0 | 112.8 | Y102 L128 Y146 E149 I150 I172 L173 L174 L182 | Y102-I180 WeakPolarHBondContact CD1-O 3.41Å; L128-I180 HydrophobicContact CD2-CD1 4.2Å; Y146-I180 HydrophobicContact CD1-CD1 3.56Å; Y146-I180 HydrophobicContact CD1-CG1 3.69Å; Y146-I180 HydrophobicContact CE1-CD1 4.48Å; Y146-I180 HydrophobicContact CE1-CG1 4.2Å; Y146-I180 HydrophobicContact CG-CD1 3.85Å; Y146-I180 HydrophobicContact CG-CG1 4.43Å; E149-I180 HydrophobicContact CB-CB 4.29Å; E149-I180 PolarHBondContact OE2-N 3.4Å; I150-I180 HydrophobicContact CD1-CD1 3.81Å; I150-I180 HydrophobicContact CG1-CD1 3.82Å; I150-I180 HydrophobicContact CG1-CG2 4.15Å; I172-I180 HydrophobicContact CG2-CB 4.4Å; I172-I180 HydrophobicContact CG2-CD1 3.86Å; I172-I180 HydrophobicContact CG2-CG1 3.75Å; I172-I180 HydrophobicContact CG2-CG2 3.97Å; L173-I180 CarbonylContact O-C 3.28Å; L173-I180 WeakPolarHBondContact O-CA 3.2Å; L174-I180 HydrophobicContact CD2-CG1 3.83Å; I180-L182 HydrophobicContact CG2-CD2 4.06Å; I180-L182 HydrophobicContact CG2-CG 4.41Å |
| 181 | V | 88.6 | Confident | 69.7 | Low | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 112.3 | 163.4 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | I104 V123 L173 D175 | I104-V181 HydrophobicContact CB-CG1 3.9Å; I104-V181 HydrophobicContact CD1-CG1 3.66Å; I104-V181 HydrophobicContact CG1-CG1 4.41Å; V123-V181 HydrophobicContact CG1-CB 4.42Å; V123-V181 HydrophobicContact CG1-CG2 4.23Å; V123-V181 HydrophobicContact CG2-CB 4.43Å; V123-V181 HydrophobicContact CG2-CG1 4.34Å; V123-V181 HydrophobicContact CG2-CG2 4.34Å; L173-V181 PolarHBondContact N-O 2.97Å; L173-V181 PolarHBondContact O-N 3.11Å; D175-V181 HydrophobicContact CB-CG2 4.12Å |
| 182 | L | 84.7 | Confident | 67.7 | Low | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.9 | 172.6 | -59.5 | -172.7 | 0 | 0 | 0 | 110.2 | Y102 L103 I104 I150 A153 Y164 L167 I172 I180 | Y102-L182 PolarHBondContact O-N 3.23Å; L103-L182 HydrophobicContact CD2-CB 3.98Å; L103-L182 HydrophobicContact CD2-CD1 4.13Å; L103-L182 HydrophobicContact CD2-CG 4.41Å; I104-L182 WeakPolarHBondContact CB-O 3.33Å; I104-L182 PolarHBondContact N-O 2.82Å; I150-L182 HydrophobicContact CG1-CD2 4.29Å; A153-L182 HydrophobicContact CB-CD1 3.62Å; A153-L182 HydrophobicContact CB-CG 4.15Å; Y164-L182 HydrophobicContact CE2-CB 4.46Å; L167-L182 HydrophobicContact CD1-CD2 3.93Å; I172-L182 HydrophobicContact CD1-CD2 4.45Å; I172-L182 HydrophobicContact CG1-CD2 3.77Å; I180-L182 HydrophobicContact CG2-CD2 4.06Å; I180-L182 HydrophobicContact CG2-CG 4.41Å |
| 183 | T | 75.8 | Confident | 65.5 | Low | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | trans | -98.7 | -170.7 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | I104 Y164 N171 L173 F185 | I104-T183 HydrophobicContact CD1-CG2 4.41Å; Y164-T183 VanDerWaalsContact CE2-O 3.29Å; Y164-T183 WeakPolarHBondContact CE2-O 3.46Å; Y164-T183 PolarHBondContact OH-O 2.83Å; N171-T183 PolarHBondContact O-N 3.04Å; N171-T183 PolarHBondContact O-OG1 3.02Å; L173-T183 HydrophobicContact CB-CG2 4.43Å; L173-T183 HydrophobicContact CD1-CG2 3.63Å; L173-T183 HydrophobicContact CG-CG2 3.66Å; T183-F185 PolarHBondContact O-N 3.21Å | ||
| 184 | D | 65.4 | Low | 63 | Low | 48 Ų | 48 | 37.2 Ų | 37.2 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | trans | 58.9 | 0.2 | 160.2 | -83.4 | 13.9 | 0 | 0 | 0 | 120.6 | K70 G186 | K70-D184 IonicContact NZ-OD1 2.87Å; K70-D184 PolarHBondContact NZ-OD1 2.9Å; K70-D184 IonicContact NZ-OD2 3.85Å; K70-D184 PolarHBondContact NZ-OD2 3.14Å; D184-G186 PolarHBondContact O-N 3.33Å | ||
| 185 | F | 56.6 | Low | 60.6 | Low | 18 Ų | 18 | 42.4 Ų | 42.4 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -55.2 | -22 | 175.8 | 76.4 | -92.9 | 0 | 0 | 0 | 114.2 | L94 I97 I104 Y164 T183 L187 S188 | L94-F185 HydrophobicContact CD2-CE2 3.73Å; L94-F185 HydrophobicContact CD2-CZ 3.99Å; I97-F185 HydrophobicContact CD1-CD2 3.71Å; I97-F185 HydrophobicContact CD1-CE2 3.58Å; I97-F185 HydrophobicContact CD1-CZ 4.29Å; I97-F185 HydrophobicContact CG2-CE1 4.22Å; I97-F185 HydrophobicContact CG2-CE2 4.35Å; I97-F185 HydrophobicContact CG2-CZ 3.99Å; I104-F185 HydrophobicContact CG2-CD1 3.86Å; I104-F185 HydrophobicContact CG2-CE1 3.58Å; I104-F185 WeakPolarHBondContact O-CE1 3.37Å; Y164-F185 HydrophobicContact CD2-CB 4.08Å; Y164-F185 HydrophobicContact CE2-CB 3.9Å; T183-F185 PolarHBondContact O-N 3.21Å; F185-L187 PolarHBondContact O-N 3.02Å; F185-S188 PolarHBondContact O-N 3.31Å |
| 186 | G | 43.8 | Very low | 58.3 | Low | 44 Ų | 44 | 43.7 Ų | 43.7 | 45% | 0.454 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -64.3 | -3.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D184 | D184-G186 PolarHBondContact O-N 3.33Š|
| 187 | L | 42.4 | Very low | 55.8 | Low | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -113.8 | -12.2 | 172.2 | -66.8 | 177.7 | 0 | 0 | 0 | 113.4 | F185 K189 E190 F191 | F185-L187 PolarHBondContact O-N 3.02Å; L187-K189 PolarHBondContact O-N 3.29Å; L187-K189 VanDerWaalsContact O-N 3.1Å; L187-E190 PolarHBondContact O-N 2.92Å; L187-F191 HydrophobicContact CB-CD2 4.37Å; L187-F191 HydrophobicContact CB-CE2 4.09Å; L187-F191 HydrophobicContact CD2-CE2 4.46Å; L187-F191 WeakPolarHBondContact O-CD2 3.31Å |
| 188 | S | 38.8 | Very low | 53.3 | Low | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.3 | -169.8 | -56.6 | 0 | 0 | 0 | 0 | 114.8 | Y164 F185 | Y164-S188 VanDerWaalsContact O-CB 3.3Å; Y164-S188 WeakPolarHBondContact O-CB 3.35Å; Y164-S188 PolarHBondContact O-OG 2.93Å; F185-S188 PolarHBondContact O-N 3.31Å |
| 189 | K | 36 | Very low | 50.5 | Low | 102 Ų | 102 | 48.2 Ų | 48.2 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -23.1 | 179.3 | -160 | -175.4 | 177.3 | -167.6 | 0 | 114.1 | T87 R88 L187 | T87-K189 PolarHBondContact O-NZ 2.83Å; R88-K189 PolarHBondContact O-NZ 3.04Å; L187-K189 PolarHBondContact O-N 3.29Å; L187-K189 VanDerWaalsContact O-N 3.1Å |
| 190 | E | 36.6 | Very low | 47.6 | Very low | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -12.8 | -169.8 | -63.4 | -166.1 | 138.6 | 0 | 0 | 115 | L187 | L187-E190 PolarHBondContact O-N 2.92Š|
| 191 | F | 34.9 | Very low | 44.6 | Very low | 39 Ų | 39 | 55.8 Ų | 55.8 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | trans | -95.3 | 105.6 | 179.5 | -69.5 | -71.2 | 0 | 0 | 0 | 111.9 | K80 R165 L187 | K80-F191 HydrophobicContact CB-CE1 4.37Å; R165-F191 PolarHBondContact NH1-O 3.06Å; L187-F191 HydrophobicContact CB-CD2 4.37Å; L187-F191 HydrophobicContact CB-CE2 4.09Å; L187-F191 HydrophobicContact CD2-CE2 4.46Å; L187-F191 WeakPolarHBondContact O-CD2 3.31Å | ||
| 192 | D | 35.2 | Very low | 42.2 | Very low | 91 Ų | 91 | 56.8 Ų | 56.8 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | trans | -63.3 | 154.9 | 169.4 | -163.9 | 12 | 0 | 0 | 0 | 111.5 | ||||
| 193 | Q | 37.7 | Very low | 40.8 | Very low | 20 Ų | 20 | 59.2 Ų | 59.2 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -81.5 | -33.8 | -158 | -64.2 | 170.1 | -63.1 | 0 | 0 | 112.3 | R165 E195 R196 H219 | R165-Q193 VanDerWaalsContact CZ-NE2 3.33Å; R165-Q193 VanDerWaalsContact NH2-CD 3.25Å; Q193-E195 PolarHBondContact O-N 3.03Å; Q193-R196 PolarHBondContact O-N 3.29Å; Q193-H219 WeakPolarHBondContact CB-CD2 3.25Å; Q193-H219 WeakPolarHBondContact CB-NE2 3.22Å; Q193-H219 VanDerWaalsContact NE2-CB 3.31Å; Q193-H219 PolarHBondContact NE2-O 2.78Å; Q193-H219 PolarHBondContact OE1-CD2 3.08Å |
| 194 | V | 34.8 | Very low | 40.3 | Very low | 59 Ų | 59 | 59.3 Ų | 59.3 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | R196 F198 | V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 3.02Å; V194-F198 WeakPolarHBondContact O-CD2 3.3Å |
| 195 | E | 35.6 | Very low | 40.8 | Very low | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -76.3 | -17.9 | -179 | -71.6 | -165.6 | -177.8 | 0 | 0 | 113.3 | Q193 A197 F198 S199 | Q193-E195 PolarHBondContact O-N 3.03Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 3.15Å; E195-F198 CarbonylContact O-C 3.51Å; E195-F198 PolarHBondContact O-N 3.4Å; E195-S199 WeakPolarHBondContact O-CB 3.46Å; E195-S199 PolarHBondContact O-N 2.88Å |
| 196 | R | 36.5 | Very low | 41.7 | Very low | 56 Ų | 56 | 58.9 Ų | 58.9 | 21% | 0.211 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.4 | -27.2 | -179.6 | -157.9 | 170 | -176 | 142.7 | -5.6 | 112.6 | R165 D166 Q193 V194 F198 | R165-R196 PolarHBondContact O-NH2 3.38Å; D166-R196 VanDerWaalsContact CG-NH2 3.28Å; D166-R196 IonicContact OD1-CZ 3.07Å; D166-R196 IonicContact OD1-NH2 2.82Å; D166-R196 PolarHBondContact OD1-NH2 3.02Å; Q193-R196 PolarHBondContact O-N 3.29Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 3.02Å; R196-F198 VanDerWaalsContact C-N 3.31Å |
| 197 | A | 32 | Very low | 43.4 | Very low | 42 Ų | 42 | 58.7 Ų | 58.7 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E195 | E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 3.15Å |
| 198 | F | 31.5 | Very low | 45.4 | Very low | 161 Ų | 161 | 57.3 Ų | 57.3 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -96.5 | -10.5 | -179.6 | -63.6 | -77.7 | 0 | 0 | 0 | 113.9 | V194 E195 R196 V200 | V194-F198 WeakPolarHBondContact O-CD2 3.3Å; E195-F198 CarbonylContact O-C 3.51Å; E195-F198 PolarHBondContact O-N 3.4Å; R196-F198 VanDerWaalsContact C-N 3.31Å; F198-V200 VanDerWaalsContact C-N 3.25Å; F198-V200 WeakPolarHBondContact O-CG2 3.33Å; F198-V200 PolarHBondContact O-N 2.87Å |
| 199 | S | 29.7 | Very low | 47.6 | Very low | 27 Ų | 27 | 57.2 Ų | 57.2 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -79.8 | 66.4 | -177.1 | -155.4 | 0 | 0 | 0 | 0 | 111.9 | K80 E195 C201 | K80-S199 PolarHBondContact NZ-OG 3.46Å; E195-S199 WeakPolarHBondContact O-CB 3.46Å; E195-S199 PolarHBondContact O-N 2.88Å; S199-C201 PolarHBondContact O-N 2.86Å |
| 200 | V | 30.8 | Very low | 49.7 | Very low | 92 Ų | 92 | 53.3 Ų | 53.3 | 56% | 0.558 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -49.1 | 96 | -173.3 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | F198 | F198-V200 VanDerWaalsContact C-N 3.25Å; F198-V200 WeakPolarHBondContact O-CG2 3.33Å; F198-V200 PolarHBondContact O-N 2.87Å |
| 201 | C | 29 | Very low | 51.6 | Low | 79 Ų | 79 | 48.5 Ų | 48.5 | 53% | 0.534 | 27% | 0.267 | S | S | . | . | trans | -179 | 7 | 156.8 | -102.6 | 0 | 0 | 0 | 0 | 114.5 | A48 S199 | A48-C201 HydrophobicContact CB-CB 3.99Å; S199-C201 PolarHBondContact O-N 2.86Å | ||
| 202 | G | 38.6 | Very low | 53.4 | Low | 33 Ų | 33 | 48.5 Ų | 48.5 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -85.2 | 148.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | V204 | G202-V204 PolarHBondContact O-N 2.76Å; G202-V204 VanDerWaalsContact O-N 3.14Å |
| 203 | T | 55.9 | Low | 55.1 | Low | 51 Ų | 51 | 50.7 Ų | 50.7 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | trans | -68.4 | 102.6 | 170.3 | -44.6 | 0 | 0 | 0 | 0 | 108.6 | E205 Y206 | T203-E205 HydrophobicContact CG2-CB 4.31Å; T203-E205 HydrophobicContact CG2-CG 4.43Å; T203-E205 PolarHBondContact O-N 2.82Å; T203-E205 VanDerWaalsContact O-N 3.07Å; T203-Y206 HydrophobicContact CG2-CD2 4.1Å; T203-Y206 HydrophobicContact CG2-CE2 4.05Å | ||
| 204 | V | 64.6 | Low | 56 | Low | 16 Ų | 16 | 51.4 Ų | 51.4 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -58.6 | -26.2 | -171.1 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | G202 Y206 M207 H251 I254 I258 | G202-V204 PolarHBondContact O-N 2.76Å; G202-V204 VanDerWaalsContact O-N 3.14Å; V204-Y206 VanDerWaalsContact C-N 3.31Å; V204-Y206 PolarHBondContact O-N 2.99Å; V204-M207 VanDerWaalsContact O-CB 3.26Å; V204-M207 WeakPolarHBondContact O-CB 3Å; V204-M207 WeakPolarHBondContact O-CG 3.32Å; V204-M207 PolarHBondContact O-N 3.41Å; V204-H251 HydrophobicContact CG2-CB 4.43Å; V204-H251 VanDerWaalsContact CG2-ND1 3.29Å; V204-H251 WeakPolarHBondContact CG2-ND1 3.44Å; V204-I254 HydrophobicContact CB-CG2 4.2Å; V204-I254 HydrophobicContact CG1-CB 4.45Å; V204-I254 HydrophobicContact CG1-CG2 3.99Å; V204-I258 HydrophobicContact CG1-CD1 4.06Å; V204-I258 WeakPolarHBondContact O-CD1 3.17Å |
| 205 | E | 75.3 | Confident | 56.8 | Low | 39 Ų | 39 | 50.1 Ų | 50.1 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -61 | -32.2 | -171.4 | -61.9 | 162.6 | -125.7 | 0 | 0 | 114.3 | T203 S240 T243 I254 | T203-E205 HydrophobicContact CG2-CB 4.31Å; T203-E205 HydrophobicContact CG2-CG 4.43Å; T203-E205 PolarHBondContact O-N 2.82Å; T203-E205 VanDerWaalsContact O-N 3.07Å; E205-S240 WeakPolarHBondContact OE2-CB 3.23Å; E205-S240 PolarHBondContact OE2-OG 3.25Å; E205-T243 HydrophobicContact CG-CG2 4.23Å; E205-T243 WeakPolarHBondContact OE2-CG2 3.44Å; E205-I254 HydrophobicContact CB-CG2 4.46Å; E205-I254 HydrophobicContact CG-CD1 4.01Å; E205-I254 HydrophobicContact CG-CG2 3.66Å |
| 206 | Y | 75.6 | Confident | 57.1 | Low | 17 Ų | 17 | 52.2 Ų | 52.2 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -86.2 | -5.4 | 176.1 | -57.9 | -82.4 | 0 | 0 | 0 | 113.8 | L167 K168 L169 T203 V204 S227 V230 L231 E234 | L167-Y206 WeakPolarHBondContact O-CD1 3.42Å; K168-Y206 HydrophobicContact CB-CD1 4.2Å; K168-Y206 HydrophobicContact CB-CD2 3.53Å; K168-Y206 HydrophobicContact CB-CE1 4.1Å; K168-Y206 HydrophobicContact CB-CE2 3.36Å; K168-Y206 HydrophobicContact CB-CG 3.93Å; L169-Y206 PolarHBondContact N-OH 3.43Å; T203-Y206 HydrophobicContact CG2-CD2 4.1Å; T203-Y206 HydrophobicContact CG2-CE2 4.05Å; V204-Y206 VanDerWaalsContact C-N 3.31Å; V204-Y206 PolarHBondContact O-N 2.99Å; Y206-S227 PolarHBondContact O-OG 3.22Å; Y206-V230 HydrophobicContact CD1-CB 3.94Å; Y206-V230 HydrophobicContact CD1-CG1 3.47Å; Y206-V230 VanDerWaalsContact CD1-CG1 3.47Å; Y206-V230 HydrophobicContact CE1-CG1 3.82Å; Y206-V230 HydrophobicContact CG-CG1 4.23Å; Y206-L231 HydrophobicContact CE1-CD1 4.45Å; Y206-E234 WeakPolarHBondContact CE1-OE2 3.42Å; Y206-E234 VanDerWaalsContact CZ-OE2 3.25Å; Y206-E234 PolarHBondContact OH-OE1 2.91Å; Y206-E234 PolarHBondContact OH-OE2 3.38Å |
| 207 | M | 80.9 | Confident | 57.4 | Low | 41 Ų | 41 | 53.3 Ų | 53.3 | 20% | 0.202 | 32% | 0.32 | C | S | . | . | trans | -76.9 | 136.7 | -177.8 | -61.3 | -174.2 | 175.6 | 0 | 0 | 111.4 | V204 I211 V212 W226 | V204-M207 VanDerWaalsContact O-CB 3.26Å; V204-M207 WeakPolarHBondContact O-CB 3Å; V204-M207 WeakPolarHBondContact O-CG 3.32Å; V204-M207 PolarHBondContact O-N 3.41Å; M207-I211 HydrophobicContact CB-CG2 4.28Å; M207-I211 HydrophobicContact CG-CG2 4.4Å; M207-I211 HydrophobicContact SD-CG2 4.18Å; M207-V212 HydrophobicContact CB-CG2 3.72Å; M207-W226 PolarHBondContact O-NE1 3.26Å | ||
| 208 | A | 83.4 | Confident | 58 | Low | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | trans | -71.5 | 151.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E210 I211 V212 V223 W226 | A208-E210 VanDerWaalsContact CB-CD 3.48Å; A208-E210 HydrophobicContact CB-CG 4.45Å; A208-E210 WeakPolarHBondContact CB-OE1 3.32Å; A208-E210 WeakPolarHBondContact CB-OE2 3.45Å; A208-E210 PolarHBondContact O-N 3.06Å; A208-I211 HydrophobicContact CB-CG1 4.49Å; A208-I211 WeakPolarHBondContact O-CA 3.27Å; A208-I211 WeakPolarHBondContact O-CB 3.47Å; A208-I211 PolarHBondContact O-N 3.27Å; A208-V212 PolarHBondContact O-N 2.55Å; A208-V212 VanDerWaalsContact O-N 3.13Å; A208-V223 HydrophobicContact CB-CB 4.4Å; A208-V223 HydrophobicContact CB-CG1 4.22Å; A208-W226 VanDerWaalsContact CA-CD1 3.47Å; A208-W226 HydrophobicContact CB-CB 3.81Å; A208-W226 HydrophobicContact CB-CD2 4.15Å; A208-W226 HydrophobicContact CB-CG 3.65Å | ||
| 209 | P | 85.2 | Confident | 58.9 | Low | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53.9 | -40 | -178.2 | -26.9 | 35.4 | 0 | 0 | 0 | 113.2 | I211 V212 E213 W226 I258 K283 | P209-I211 PolarHBondContact O-N 2.76Å; P209-V212 PolarHBondContact O-N 3.22Å; P209-V212 VanDerWaalsContact O-N 3.07Å; P209-E213 WeakPolarHBondContact O-CB 3.43Å; P209-E213 WeakPolarHBondContact O-CG 3.43Å; P209-E213 PolarHBondContact O-N 3.12Å; P209-W226 HydrophobicContact CG-CE3 4.32Å; P209-W226 HydrophobicContact CG-CH2 3.57Å; P209-W226 HydrophobicContact CG-CZ2 4.07Å; P209-W226 HydrophobicContact CG-CZ3 3.71Å; P209-I258 HydrophobicContact CB-CG2 4.29Å; P209-I258 HydrophobicContact CG-CG2 3.84Å; P209-K283 HydrophobicContact CG-CB 4.35Å; P209-K283 HydrophobicContact CG-CD 4.03Å |
| 210 | E | 81.1 | Confident | 60.7 | Low | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -19.8 | 177.8 | 68.1 | -85.5 | -160.7 | 0 | 0 | 114.2 | A208 H219 V223 P285 R288 | A208-E210 VanDerWaalsContact CB-CD 3.48Å; A208-E210 HydrophobicContact CB-CG 4.45Å; A208-E210 WeakPolarHBondContact CB-OE1 3.32Å; A208-E210 WeakPolarHBondContact CB-OE2 3.45Å; A208-E210 PolarHBondContact O-N 3.06Å; E210-H219 PolarHBondContact O-CE1 3.34Å; E210-H219 PolarHBondContact O-ND1 3.47Å; E210-V223 HydrophobicContact CG-CG1 4.32Å; E210-V223 WeakPolarHBondContact OE1-CG1 3.47Å; E210-P285 HydrophobicContact CG-CG 4.43Å; E210-R288 IonicContact OE1-CZ 2.63Å; E210-R288 IonicContact OE1-NH1 3.89Å; E210-R288 PolarHBondContact OE1-NH1 3.19Å; E210-R288 IonicContact OE1-NH2 2.68Å; E210-R288 PolarHBondContact OE1-NH2 2.97Å; E210-R288 IonicContact OE2-CZ 3.7Å; E210-R288 IonicContact OE2-NH1 3.68Å; E210-R288 IonicContact OE2-NH2 2.75Å; E210-R288 PolarHBondContact OE2-NH2 3.04Å |
| 211 | I | 75.6 | Confident | 62.9 | Low | 22 Ų | 22 | 51.3 Ų | 51.3 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84.8 | -35.4 | 171.5 | -64.2 | -72.7 | 0 | 0 | 0 | 110.3 | M207 A208 P209 H219 V223 | M207-I211 HydrophobicContact CB-CG2 4.28Å; M207-I211 HydrophobicContact CG-CG2 4.4Å; M207-I211 HydrophobicContact SD-CG2 4.18Å; A208-I211 HydrophobicContact CB-CG1 4.49Å; A208-I211 WeakPolarHBondContact O-CA 3.27Å; A208-I211 WeakPolarHBondContact O-CB 3.47Å; A208-I211 PolarHBondContact O-N 3.27Å; P209-I211 PolarHBondContact O-N 2.76Å; I211-H219 HydrophobicContact CD1-CB 4.29Å; I211-V223 HydrophobicContact CD1-CG1 4.16Å; I211-V223 HydrophobicContact CG1-CG1 3.87Å |
| 212 | V | 72.6 | Confident | 65.6 | Low | 39 Ų | 39 | 47.6 Ų | 47.6 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.6 | -33.3 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | M207 A208 P209 A255 I258 | M207-V212 HydrophobicContact CB-CG2 3.72Å; A208-V212 PolarHBondContact O-N 2.55Å; A208-V212 VanDerWaalsContact O-N 3.13Å; P209-V212 PolarHBondContact O-N 3.22Å; P209-V212 VanDerWaalsContact O-N 3.07Å; V212-A255 HydrophobicContact CG1-CB 3.42Å; V212-A255 VanDerWaalsContact CG1-CB 3.42Å; V212-I258 HydrophobicContact CG2-CD1 4.31Å; V212-I258 HydrophobicContact CG2-CG2 4.19Å |
| 213 | E | 70.3 | Confident | 67.8 | Low | 137 Ų | 137 | 46.3 Ų | 46.3 | 64% | 0.64 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.7 | -179.2 | -68.2 | 178.6 | 171.6 | 0 | 0 | 113.7 | P209 G215 C259 | P209-E213 WeakPolarHBondContact O-CB 3.43Å; P209-E213 WeakPolarHBondContact O-CG 3.43Å; P209-E213 PolarHBondContact O-N 3.12Å; E213-G215 PolarHBondContact O-N 2.8Å; E213-C259 WeakPolarHBondContact OE1-CB 3.42Å; E213-C259 PolarHBondContact OE1-SG 3.39Å |
| 214 | G | 58 | Low | 69.3 | Low | 34 Ų | 34 | 43.9 Ų | 43.9 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 24.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 215 | G | 50.5 | Low | 70.7 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | trans | -82.5 | 149.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E213 S217 | E213-G215 PolarHBondContact O-N 2.8Å; G215-S217 PolarHBondContact O-N 3.39Å | ||
| 216 | D | 41.9 | Very low | 71.5 | Confident | 151 Ų | 151 | 41.3 Ų | 41.3 | 81% | 0.807 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -65.3 | 11.3 | -177.8 | -62 | -61.9 | 0 | 0 | 0 | 115.7 | G218 | D216-G218 PolarHBondContact O-N 3.24Š|
| 217 | S | 43.1 | Very low | 72.2 | Confident | 80 Ų | 80 | 41 Ų | 41 | 56% | 0.559 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -76.5 | 89.3 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | G215 H219 | G215-S217 PolarHBondContact O-N 3.39Å; S217-H219 WeakPolarHBondContact O-CA 3.31Å; S217-H219 PolarHBondContact O-CD2 3.31Å; S217-H219 PolarHBondContact O-N 3.47Å; S217-H219 VanDerWaalsContact O-N 3.14Å |
| 218 | G | 43.8 | Very low | 72.9 | Confident | 64 Ų | 64 | 39 Ų | 39 | 66% | 0.66 | 24% | 0.239 | S | C | * | . | trans | -38.1 | 117 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | D216 | D216-G218 PolarHBondContact O-N 3.24Š| ||
| 219 | H | 52.2 | Low | 73.4 | Confident | 18 Ų | 18 | 39 Ų | 39 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | trans | -94.2 | 123.7 | -151.2 | -33.4 | -135.1 | 0 | 0 | 0 | 110.3 | Q193 E210 I211 S217 V223 | Q193-H219 WeakPolarHBondContact CB-CD2 3.25Å; Q193-H219 WeakPolarHBondContact CB-NE2 3.22Å; Q193-H219 VanDerWaalsContact NE2-CB 3.31Å; Q193-H219 PolarHBondContact NE2-O 2.78Å; Q193-H219 PolarHBondContact OE1-CD2 3.08Å; E210-H219 PolarHBondContact O-CE1 3.34Å; E210-H219 PolarHBondContact O-ND1 3.47Å; I211-H219 HydrophobicContact CD1-CB 4.29Å; S217-H219 WeakPolarHBondContact O-CA 3.31Å; S217-H219 PolarHBondContact O-CD2 3.31Å; S217-H219 PolarHBondContact O-N 3.47Å; S217-H219 VanDerWaalsContact O-N 3.14Å; H219-V223 HydrophobicContact CB-CG1 4.23Å | ||
| 220 | D | 66 | Low | 73.8 | Confident | 112 Ų | 112 | 38.7 Ų | 38.7 | 60% | 0.599 | 24% | 0.237 | S | C | * | . | trans | -67.8 | 172.5 | -174.2 | -88.8 | -50.7 | 0 | 0 | 0 | 114.7 | A222 V223 | D220-A222 HydrophobicContact CB-CB 4.19Å; D220-A222 PolarHBondContact O-N 3.12Å; D220-V223 PolarHBondContact O-N 3.1Å | ||
| 221 | K | 78.2 | Confident | 74.3 | Confident | 85 Ų | 85 | 37.8 Ų | 37.8 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -19.4 | 162.4 | -70.7 | 168 | 176.7 | 179.5 | 0 | 114.9 | H158 V163 V223 D224 | H158-K221 HydrophobicContact CB-CD 3.91Å; H158-K221 HydrophobicContact CB-CG 4.4Å; H158-K221 PolarHBondContact CE1-O 2.87Å; H158-K221 WeakPolarHBondContact O-CE 3.34Å; H158-K221 PolarHBondContact O-NZ 3.25Å; V163-K221 HydrophobicContact CG2-CG 4.05Å; K221-V223 PolarHBondContact O-N 2.97Å; K221-D224 PolarHBondContact O-N 2.71Å |
| 222 | A | 84.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.9 | -26.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D220 W225 W226 P285 R288 S291 | D220-A222 HydrophobicContact CB-CB 4.19Å; D220-A222 PolarHBondContact O-N 3.12Å; A222-W225 PolarHBondContact O-N 3.19Å; A222-W226 PolarHBondContact O-N 2.98Å; A222-P285 HydrophobicContact CB-CB 3.78Å; A222-R288 WeakPolarHBondContact O-CD 3.35Å; A222-R288 PolarHBondContact O-NH1 3.18Å; A222-S291 WeakPolarHBondContact CB-OG 3.35Å |
| 223 | V | 84.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | -179.9 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | V163 R165 A208 E210 I211 H219 D220 K221 W225 W226 S227 | V163-V223 HydrophobicContact CG1-CG2 3.55Å; R165-V223 HydrophobicContact CG-CG2 4.34Å; A208-V223 HydrophobicContact CB-CB 4.4Å; A208-V223 HydrophobicContact CB-CG1 4.22Å; E210-V223 HydrophobicContact CG-CG1 4.32Å; E210-V223 WeakPolarHBondContact OE1-CG1 3.47Å; I211-V223 HydrophobicContact CD1-CG1 4.16Å; I211-V223 HydrophobicContact CG1-CG1 3.87Å; H219-V223 HydrophobicContact CB-CG1 4.23Å; D220-V223 PolarHBondContact O-N 3.1Å; K221-V223 PolarHBondContact O-N 2.97Å; V223-W225 VanDerWaalsContact C-N 3.32Å; V223-W225 PolarHBondContact O-N 2.95Å; V223-W226 WeakPolarHBondContact O-CB 3.08Å; V223-W226 PolarHBondContact O-N 3.39Å; V223-S227 PolarHBondContact O-N 3.22Å; V223-S227 VanDerWaalsContact O-N 3.14Å; V223-S227 PolarHBondContact O-OG 2.63Å |
| 224 | D | 87.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -34.4 | -179.9 | -65.4 | -23.1 | 0 | 0 | 0 | 111.3 | L154 H158 V163 Y164 R165 K221 S227 L228 | L154-D224 HydrophobicContact CD1-CB 4.08Å; L154-D224 HydrophobicContact CD2-CB 3.88Å; H158-D224 IonicContact CD2-OD2 3.96Å; H158-D224 IonicContact CE1-OD2 3.3Å; H158-D224 IonicContact NE2-OD2 1.85Å; H158-D224 PolarHBondContact NE2-OD2 3.18Å; V163-D224 VanDerWaalsContact CG1-OD2 3.28Å; V163-D224 WeakPolarHBondContact CG1-OD2 3.11Å; Y164-D224 PolarHBondContact N-OD1 3.16Å; Y164-D224 PolarHBondContact N-OD2 3.16Å; R165-D224 PolarHBondContact N-OD1 2.93Å; K221-D224 PolarHBondContact O-N 2.71Å; D224-S227 PolarHBondContact O-N 3.04Å; D224-L228 WeakPolarHBondContact O-CB 3.38Å; D224-L228 PolarHBondContact O-N 2.9Å |
| 225 | W | 93.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.6 | -32.1 | 175.8 | -57.1 | 130.3 | 0 | 0 | 0 | 112.8 | V151 L154 H158 A222 V223 L228 G229 L280 L289 G290 A296 V299 | V151-W225 HydrophobicContact CG2-CZ3 4.06Å; L154-W225 HydrophobicContact CB-CH2 3.94Å; L154-W225 HydrophobicContact CB-CZ3 4.06Å; L154-W225 HydrophobicContact CD1-CE3 3.99Å; L154-W225 HydrophobicContact CD1-CH2 4.41Å; L154-W225 HydrophobicContact CD1-CZ3 3.74Å; H158-W225 AromaticContact CE1-CE2 3.7Å; H158-W225 AromaticContact CE1-CZ2 3.7Å; H158-W225 AromaticContact CE1-NE1 3.77Å; H158-W225 AromaticContact ND1-CE2 3.91Å; H158-W225 AromaticContact ND1-CZ2 3.6Å; H158-W225 AromaticContact ND1-NE1 3.95Å; A222-W225 PolarHBondContact O-N 3.19Å; V223-W225 VanDerWaalsContact C-N 3.32Å; V223-W225 PolarHBondContact O-N 2.95Å; W225-L228 HydrophobicContact CE3-CD2 3.88Å; W225-L228 HydrophobicContact CZ3-CD2 4.09Å; W225-G229 PolarHBondContact O-N 2.85Å; W225-G229 VanDerWaalsContact O-N 3.12Å; W225-L280 HydrophobicContact CB-CD2 4.03Å; W225-L289 WeakPolarHBondContact CB-O 3.46Å; W225-G290 VanDerWaalsContact CD1-C 3.4Å; W225-G290 VanDerWaalsContact NE1-C 3.35Å; W225-G290 PolarHBondContact NE1-O 3.04Å; W225-A296 HydrophobicContact CH2-CB 3.66Å; W225-A296 HydrophobicContact CZ2-CB 3.74Å; W225-V299 HydrophobicContact CD2-CG2 4.21Å; W225-V299 HydrophobicContact CE3-CG2 4.07Å; W225-V299 HydrophobicContact CH2-CG2 4.48Å; W225-V299 HydrophobicContact CZ3-CG2 4.22Å |
| 226 | W | 92.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -51.8 | 169.7 | 172.9 | -83.5 | 0 | 0 | 0 | 111 | M207 A208 P209 A222 V223 L228 G229 V230 F242 I258 L281 K283 | M207-W226 PolarHBondContact O-NE1 3.26Å; A208-W226 VanDerWaalsContact CA-CD1 3.47Å; A208-W226 HydrophobicContact CB-CB 3.81Å; A208-W226 HydrophobicContact CB-CD2 4.15Å; A208-W226 HydrophobicContact CB-CG 3.65Å; P209-W226 HydrophobicContact CG-CE3 4.32Å; P209-W226 HydrophobicContact CG-CH2 3.57Å; P209-W226 HydrophobicContact CG-CZ2 4.07Å; P209-W226 HydrophobicContact CG-CZ3 3.71Å; A222-W226 PolarHBondContact O-N 2.98Å; V223-W226 WeakPolarHBondContact O-CB 3.08Å; V223-W226 PolarHBondContact O-N 3.39Å; W226-L228 PolarHBondContact O-N 2.79Å; W226-G229 WeakPolarHBondContact O-CA 3.37Å; W226-G229 PolarHBondContact O-N 2.67Å; W226-V230 PolarHBondContact O-N 3.29Å; W226-F242 HydrophobicContact CH2-CE2 4.3Å; W226-F242 HydrophobicContact CH2-CZ 4.03Å; W226-F242 AromaticContact CZ2-CE2 3.6Å; W226-F242 HydrophobicContact CZ2-CE2 3.6Å; W226-F242 AromaticContact CZ2-CZ 3.8Å; W226-F242 HydrophobicContact CZ2-CZ 3.8Å; W226-I258 HydrophobicContact CH2-CG2 4.44Å; W226-I258 HydrophobicContact CZ2-CG2 3.9Å; W226-L281 HydrophobicContact CD2-CD2 3.64Å; W226-L281 HydrophobicContact CE3-CB 4.42Å; W226-L281 HydrophobicContact CE3-CD2 3.85Å; W226-L281 HydrophobicContact CG-CD2 4.14Å; W226-L281 HydrophobicContact CH2-CB 4.49Å; W226-L281 HydrophobicContact CH2-CD2 4.27Å; W226-L281 HydrophobicContact CZ2-CD2 4.06Å; W226-L281 HydrophobicContact CZ3-CB 4.17Å; W226-L281 HydrophobicContact CZ3-CD2 4.17Å; W226-L281 VanDerWaalsContact CZ3-O 3.23Å; W226-L281 WeakPolarHBondContact CZ3-O 3.32Å; W226-L281 WeakPolarHBondContact O-CD2 3.17Å; W226-K283 HydrophobicContact CH2-CD 3.85Å; W226-K283 HydrophobicContact CZ3-CD 3.94Å |
| 227 | S | 90.6 | Very high | 82.7 | Confident | 10 Ų | 10 | 22.1 Ų | 22.1 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -32.8 | -179.4 | -54 | 0 | 0 | 0 | 0 | 111.9 | Y206 V223 D224 V230 L231 | Y206-S227 PolarHBondContact O-OG 3.22Å; V223-S227 PolarHBondContact O-N 3.22Å; V223-S227 VanDerWaalsContact O-N 3.14Å; V223-S227 PolarHBondContact O-OG 2.63Å; D224-S227 PolarHBondContact O-N 3.04Å; S227-V230 PolarHBondContact O-N 2.75Å; S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 PolarHBondContact O-N 2.92Å |
| 228 | L | 95.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 169.6 | -179.8 | 65.3 | 0 | 0 | 0 | 111.8 | I150 V151 L167 D224 W225 W226 V230 L231 M232 L280 | I150-L228 HydrophobicContact CB-CD1 4.2Å; I150-L228 HydrophobicContact CD1-CD1 4.4Å; I150-L228 HydrophobicContact CG2-CD1 3.87Å; V151-L228 HydrophobicContact CG2-CD2 3.68Å; L167-L228 HydrophobicContact CD2-CB 3.98Å; L167-L228 HydrophobicContact CD2-CD1 4.32Å; D224-L228 WeakPolarHBondContact O-CB 3.38Å; D224-L228 PolarHBondContact O-N 2.9Å; W225-L228 HydrophobicContact CE3-CD2 3.88Å; W225-L228 HydrophobicContact CZ3-CD2 4.09Å; W226-L228 PolarHBondContact O-N 2.79Å; L228-V230 PolarHBondContact O-N 2.77Å; L228-L231 PolarHBondContact O-N 2.7Å; L228-M232 HydrophobicContact CD1-CG 4.12Å; L228-M232 HydrophobicContact CD1-SD 4.3Å; L228-M232 HydrophobicContact CG-CG 4.31Å; L228-M232 HydrophobicContact CG-SD 4.09Å; L228-M232 WeakPolarHBondContact O-CB 3.49Å; L228-M232 VanDerWaalsContact O-CG 3.24Å; L228-M232 WeakPolarHBondContact O-CG 3.43Å; L228-M232 PolarHBondContact O-N 2.87Å; L228-L280 HydrophobicContact CD2-CD1 4.38Å; L228-L280 HydrophobicContact CG-CD1 4.34Å |
| 229 | G | 95 | Very high | 86.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | W225 W226 Y233 | W225-G229 PolarHBondContact O-N 2.85Å; W225-G229 VanDerWaalsContact O-N 3.12Å; W226-G229 WeakPolarHBondContact O-CA 3.37Å; W226-G229 PolarHBondContact O-N 2.67Å; G229-Y233 PolarHBondContact O-N 3.36Å |
| 230 | V | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.5 | -50.2 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | Y206 W226 S227 L228 M232 Y233 E234 P241 F242 L281 | Y206-V230 HydrophobicContact CD1-CB 3.94Å; Y206-V230 HydrophobicContact CD1-CG1 3.47Å; Y206-V230 VanDerWaalsContact CD1-CG1 3.47Å; Y206-V230 HydrophobicContact CE1-CG1 3.82Å; Y206-V230 HydrophobicContact CG-CG1 4.23Å; W226-V230 PolarHBondContact O-N 3.29Å; S227-V230 PolarHBondContact O-N 2.75Å; L228-V230 PolarHBondContact O-N 2.77Å; V230-M232 PolarHBondContact O-N 3.36Å; V230-Y233 WeakPolarHBondContact O-CB 3.24Å; V230-Y233 PolarHBondContact O-N 2.99Å; V230-E234 PolarHBondContact O-N 3.04Å; V230-P241 HydrophobicContact CB-CG 4.41Å; V230-P241 HydrophobicContact CG1-CG 3.89Å; V230-P241 HydrophobicContact CG2-CG 4.37Å; V230-F242 HydrophobicContact CG2-CE2 4.37Å; V230-L281 HydrophobicContact CG2-CD2 3.72Å |
| 231 | L | 92.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 179.3 | -174.3 | 78.5 | 0 | 0 | 0 | 112.7 | I150 L167 L169 I172 Y206 S227 L228 Y233 E234 L235 | I150-L231 HydrophobicContact CD1-CD2 3.38Å; L167-L231 HydrophobicContact CD1-CD2 4.35Å; L167-L231 HydrophobicContact CD2-CD2 4.3Å; L167-L231 HydrophobicContact CG-CD2 4.24Å; L169-L231 HydrophobicContact CD2-CD1 3.56Å; L169-L231 HydrophobicContact CG-CD1 3.72Å; I172-L231 HydrophobicContact CD1-CD1 3.8Å; I172-L231 HydrophobicContact CD1-CD2 3.48Å; I172-L231 VanDerWaalsContact CD1-CD2 3.48Å; I172-L231 HydrophobicContact CD1-CG 4.29Å; Y206-L231 HydrophobicContact CE1-CD1 4.45Å; S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 PolarHBondContact O-N 2.92Å; L228-L231 PolarHBondContact O-N 2.7Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 2.9Å; L231-E234 PolarHBondContact O-N 2.89Å; L231-L235 HydrophobicContact CG-CD1 4.1Å; L231-L235 WeakPolarHBondContact O-CB 3.31Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.25Å; L231-L235 PolarHBondContact O-N 3.26Å |
| 232 | M | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 178.5 | -74.5 | -174.7 | 73.7 | 0 | 0 | 112.7 | V143 S147 L228 V230 L236 L276 I277 L280 F304 | V143-M232 HydrophobicContact CG1-CB 4.46Å; V143-M232 HydrophobicContact CG1-CE 4.21Å; V143-M232 HydrophobicContact CG1-CG 4.35Å; S147-M232 VanDerWaalsContact CB-SD 3.51Å; S147-M232 VanDerWaalsContact OG-CE 3.3Å; S147-M232 WeakPolarHBondContact OG-CE 3.37Å; L228-M232 HydrophobicContact CD1-CG 4.12Å; L228-M232 HydrophobicContact CD1-SD 4.3Å; L228-M232 HydrophobicContact CG-CG 4.31Å; L228-M232 HydrophobicContact CG-SD 4.09Å; L228-M232 WeakPolarHBondContact O-CB 3.49Å; L228-M232 VanDerWaalsContact O-CG 3.24Å; L228-M232 WeakPolarHBondContact O-CG 3.43Å; L228-M232 PolarHBondContact O-N 2.87Å; V230-M232 PolarHBondContact O-N 3.36Å; M232-L236 WeakPolarHBondContact O-CD1 3.37Å; M232-L236 VanDerWaalsContact O-CG 3.3Å; M232-L236 WeakPolarHBondContact O-CG 3.39Å; M232-L276 HydrophobicContact CE-CD2 3.53Å; M232-L276 HydrophobicContact CE-CG 4.33Å; M232-L276 HydrophobicContact SD-CD2 4.07Å; M232-I277 HydrophobicContact CB-CD1 4.12Å; M232-I277 HydrophobicContact CB-CG1 3.97Å; M232-L280 HydrophobicContact SD-CD1 3.95Å; M232-F304 HydrophobicContact CE-CD1 4.05Å; M232-F304 HydrophobicContact CE-CE1 3.4Å; M232-F304 HydrophobicContact CE-CZ 3.99Å |
| 233 | Y | 92.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 11 Ų | 11 | 7% | 0.067 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.9 | -52.9 | 171.3 | 176.6 | -83.1 | 0 | 0 | 0 | 110.1 | G229 V230 L231 L235 L236 T237 G239 P241 P264 F265 M269 | G229-Y233 PolarHBondContact O-N 3.36Å; V230-Y233 WeakPolarHBondContact O-CB 3.24Å; V230-Y233 PolarHBondContact O-N 2.99Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 2.9Å; Y233-L235 PolarHBondContact O-N 2.77Å; Y233-L236 PolarHBondContact O-N 3.35Å; Y233-T237 HydrophobicContact CD1-CG2 4.07Å; Y233-T237 WeakPolarHBondContact CD1-OG1 3.36Å; Y233-T237 HydrophobicContact CD2-CG2 4.23Å; Y233-T237 HydrophobicContact CE1-CG2 3.78Å; Y233-T237 WeakPolarHBondContact CE1-OG1 3.47Å; Y233-T237 HydrophobicContact CE2-CG2 3.95Å; Y233-T237 HydrophobicContact CG-CG2 4.29Å; Y233-T237 WeakPolarHBondContact O-CG2 3.45Å; Y233-T237 PolarHBondContact O-N 3.32Å; Y233-T237 PolarHBondContact O-OG1 3.08Å; Y233-G239 VanDerWaalsContact CD1-O 3.28Å; Y233-G239 WeakPolarHBondContact CD1-O 3.4Å; Y233-G239 WeakPolarHBondContact CE1-O 3.43Å; Y233-P241 HydrophobicContact CD1-CB 3.64Å; Y233-P241 HydrophobicContact CD1-CG 3.98Å; Y233-P241 HydrophobicContact CD2-CB 4.22Å; Y233-P241 VanDerWaalsContact CE1-CA 3.48Å; Y233-P241 HydrophobicContact CE1-CB 3.75Å; Y233-P241 HydrophobicContact CE1-CG 4.47Å; Y233-P241 HydrophobicContact CE2-CB 4.32Å; Y233-P241 HydrophobicContact CG-CB 3.89Å; Y233-P241 HydrophobicContact CG-CG 4.28Å; Y233-P264 PolarHBondContact OH-O 3.5Å; Y233-F265 HydrophobicContact CD2-CD1 4.37Å; Y233-F265 HydrophobicContact CD2-CE1 4.2Å; Y233-F265 HydrophobicContact CE2-CD1 4.39Å; Y233-M269 HydrophobicContact CD2-CE 4.33Å |
| 234 | E | 89.5 | Confident | 87.5 | Confident | 21 Ų | 21 | 13.4 Ų | 13.4 | 10% | 0.098 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | -174.7 | -171.8 | 175.8 | -149.8 | 0 | 0 | 112.9 | L132 L169 Y206 V230 L231 L236 T237 G238 G239 | L132-E234 HydrophobicContact CD2-CG 4.04Å; L169-E234 HydrophobicContact CD1-CG 3.91Å; L169-E234 VanDerWaalsContact CD1-OE2 3.31Å; L169-E234 WeakPolarHBondContact CD1-OE2 3.28Å; Y206-E234 WeakPolarHBondContact CE1-OE2 3.42Å; Y206-E234 VanDerWaalsContact CZ-OE2 3.25Å; Y206-E234 PolarHBondContact OH-OE1 2.91Å; Y206-E234 PolarHBondContact OH-OE2 3.38Å; V230-E234 PolarHBondContact O-N 3.04Å; L231-E234 PolarHBondContact O-N 2.89Å; E234-L236 PolarHBondContact O-N 3.48Å; E234-T237 PolarHBondContact O-N 3.17Å; E234-G238 WeakPolarHBondContact O-CA 3.49Å; E234-G238 PolarHBondContact O-N 3.1Å; E234-G239 WeakPolarHBondContact CA-O 3.35Å |
| 235 | L | 89.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -27.8 | 173.7 | -71 | 169.7 | 0 | 0 | 0 | 113.4 | L128 F138 V143 L169 L231 Y233 | L128-L235 HydrophobicContact CD1-CD2 4.33Å; L128-L235 HydrophobicContact CD2-CD1 4.37Å; L128-L235 HydrophobicContact CD2-CD2 3.96Å; L128-L235 HydrophobicContact CG-CD2 4.04Å; F138-L235 WeakPolarHBondContact CB-O 3.36Å; F138-L235 HydrophobicContact CD2-CB 4.31Å; F138-L235 HydrophobicContact CD2-CD2 3.61Å; F138-L235 HydrophobicContact CE2-CD2 3.72Å; F138-L235 PolarHBondContact N-O 3.31Å; V143-L235 HydrophobicContact CG1-CB 4.36Å; V143-L235 HydrophobicContact CG1-CD1 4.47Å; V143-L235 HydrophobicContact CG2-CB 3.8Å; L169-L235 HydrophobicContact CD2-CD2 3.7Å; L169-L235 HydrophobicContact CD2-CG 4.24Å; L231-L235 HydrophobicContact CG-CD1 4.1Å; L231-L235 WeakPolarHBondContact O-CB 3.31Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.25Å; L231-L235 PolarHBondContact O-N 3.26Å; Y233-L235 PolarHBondContact O-N 2.77Å |
| 236 | L | 91.6 | Very high | 84.1 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -90.5 | -24.4 | 179.5 | -69.3 | 172.4 | 0 | 0 | 0 | 113.8 | R137 E140 V143 M232 Y233 E234 M269 A273 I277 | R137-L236 VanDerWaalsContact CD-O 3.24Å; R137-L236 WeakPolarHBondContact CD-O 3.42Å; E140-L236 HydrophobicContact CB-CD2 4.49Å; E140-L236 HydrophobicContact CG-CD2 3.94Å; V143-L236 HydrophobicContact CB-CD2 4.01Å; V143-L236 HydrophobicContact CB-CG 4.38Å; V143-L236 HydrophobicContact CG1-CD2 4.4Å; V143-L236 HydrophobicContact CG1-CG 4.25Å; V143-L236 HydrophobicContact CG2-CD2 3.57Å; V143-L236 HydrophobicContact CG2-CG 3.98Å; M232-L236 WeakPolarHBondContact O-CD1 3.37Å; M232-L236 VanDerWaalsContact O-CG 3.3Å; M232-L236 WeakPolarHBondContact O-CG 3.39Å; Y233-L236 PolarHBondContact O-N 3.35Å; E234-L236 PolarHBondContact O-N 3.48Å; L236-M269 HydrophobicContact CB-CE 3.84Å; L236-M269 HydrophobicContact CD1-CE 3.84Å; L236-M269 HydrophobicContact CD1-CG 4.45Å; L236-M269 HydrophobicContact CD1-SD 4.22Å; L236-A273 HydrophobicContact CD1-CB 3.91Å; L236-I277 HydrophobicContact CD1-CD1 3.9Å |
| 237 | T | 85.8 | Confident | 82.3 | Confident | 35 Ų | 35 | 30.1 Ų | 30.1 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -109.7 | -24.3 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 114 | Y233 E234 G239 P266 M269 | Y233-T237 HydrophobicContact CD1-CG2 4.07Å; Y233-T237 WeakPolarHBondContact CD1-OG1 3.36Å; Y233-T237 HydrophobicContact CD2-CG2 4.23Å; Y233-T237 HydrophobicContact CE1-CG2 3.78Å; Y233-T237 WeakPolarHBondContact CE1-OG1 3.47Å; Y233-T237 HydrophobicContact CE2-CG2 3.95Å; Y233-T237 HydrophobicContact CG-CG2 4.29Å; Y233-T237 WeakPolarHBondContact O-CG2 3.45Å; Y233-T237 PolarHBondContact O-N 3.32Å; Y233-T237 PolarHBondContact O-OG1 3.08Å; E234-T237 PolarHBondContact O-N 3.17Å; T237-G239 VanDerWaalsContact C-N 3.34Å; T237-G239 PolarHBondContact OG1-N 2.94Å; T237-G239 PolarHBondContact OG1-O 2.81Å; T237-P266 HydrophobicContact CG2-CG 3.86Å; T237-M269 HydrophobicContact CG2-CE 3.92Å |
| 238 | G | 80.4 | Confident | 80.6 | Confident | 38 Ų | 38 | 38.3 Ų | 38.3 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 80.6 | 9.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V136 E234 | V136-G238 WeakPolarHBondContact O-CA 3.45Å; E234-G238 WeakPolarHBondContact O-CA 3.49Å; E234-G238 PolarHBondContact O-N 3.1Å |
| 239 | G | 79.1 | Confident | 79.1 | Confident | 29 Ų | 29 | 40.9 Ų | 40.9 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -159.1 | 162.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y233 E234 T237 | Y233-G239 VanDerWaalsContact CD1-O 3.28Å; Y233-G239 WeakPolarHBondContact CD1-O 3.4Å; Y233-G239 WeakPolarHBondContact CE1-O 3.43Å; E234-G239 WeakPolarHBondContact CA-O 3.35Å; T237-G239 VanDerWaalsContact C-N 3.34Å; T237-G239 PolarHBondContact OG1-N 2.94Å; T237-G239 PolarHBondContact OG1-O 2.81Å |
| 240 | S | 83.1 | Confident | 77.9 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | trans | -75.7 | 142.2 | -173.1 | 162.6 | 0 | 0 | 0 | 0 | 113.1 | E205 F242 T243 | E205-S240 WeakPolarHBondContact OE2-CB 3.23Å; E205-S240 PolarHBondContact OE2-OG 3.25Å; S240-F242 PolarHBondContact O-N 3.2Å; S240-T243 WeakPolarHBondContact CB-OG1 3.49Å; S240-T243 PolarHBondContact O-OG1 3.46Å; S240-T243 VanDerWaalsContact O-OG1 3.09Å | ||
| 241 | P | 84.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.3 | -175.4 | 25.2 | -31.2 | 0 | 0 | 0 | 114.8 | V230 Y233 P263 P264 | V230-P241 HydrophobicContact CB-CG 4.41Å; V230-P241 HydrophobicContact CG1-CG 3.89Å; V230-P241 HydrophobicContact CG2-CG 4.37Å; Y233-P241 HydrophobicContact CD1-CB 3.64Å; Y233-P241 HydrophobicContact CD1-CG 3.98Å; Y233-P241 HydrophobicContact CD2-CB 4.22Å; Y233-P241 VanDerWaalsContact CE1-CA 3.48Å; Y233-P241 HydrophobicContact CE1-CB 3.75Å; Y233-P241 HydrophobicContact CE1-CG 4.47Å; Y233-P241 HydrophobicContact CE2-CB 4.32Å; Y233-P241 HydrophobicContact CG-CB 3.89Å; Y233-P241 HydrophobicContact CG-CG 4.28Å; P241-P263 HydrophobicContact CB-CB 3.81Å; P241-P264 VanDerWaalsContact O-CD 3.28Å; P241-P264 WeakPolarHBondContact O-CD 3.49Å |
| 242 | F | 84.8 | Confident | 75.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 2.6 | -175.8 | -55.8 | -63.1 | 0 | 0 | 0 | 114.1 | W226 V230 S240 I254 R257 I258 | W226-F242 HydrophobicContact CH2-CE2 4.3Å; W226-F242 HydrophobicContact CH2-CZ 4.03Å; W226-F242 AromaticContact CZ2-CE2 3.6Å; W226-F242 HydrophobicContact CZ2-CE2 3.6Å; W226-F242 AromaticContact CZ2-CZ 3.8Å; W226-F242 HydrophobicContact CZ2-CZ 3.8Å; V230-F242 HydrophobicContact CG2-CE2 4.37Å; S240-F242 PolarHBondContact O-N 3.2Å; F242-I254 HydrophobicContact CB-CG2 4.49Å; F242-R257 HydrophobicContact CB-CB 4.2Å; F242-R257 HydrophobicContact CD1-CB 4.26Å; F242-R257 WeakPolarHBondContact O-CD 3.26Å; F242-R257 PolarHBondContact O-NH1 3.1Å; F242-I258 HydrophobicContact CB-CG1 4.11Å; F242-I258 HydrophobicContact CD1-CG1 4.46Å; F242-I258 HydrophobicContact CD2-CG1 3.55Å; F242-I258 HydrophobicContact CE2-CG1 4.09Å; F242-I258 HydrophobicContact CG-CG1 3.78Å |
| 243 | T | 76.1 | Confident | 74.9 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | trans | -82.5 | 166.3 | 166.5 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | E205 S240 | E205-T243 HydrophobicContact CG-CG2 4.23Å; E205-T243 WeakPolarHBondContact OE2-CG2 3.44Å; S240-T243 WeakPolarHBondContact CB-OG1 3.49Å; S240-T243 PolarHBondContact O-OG1 3.46Å; S240-T243 VanDerWaalsContact O-OG1 3.09Å | ||
| 244 | V | 67.6 | Low | 74.3 | Confident | 58 Ų | 58 | 52 Ų | 52 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | trans | -137.1 | 131.9 | 169.2 | 174.9 | 0 | 0 | 0 | 0 | 107.7 | D247 N249 | V244-D247 HydrophobicContact CB-CB 4.3Å; V244-D247 HydrophobicContact CG1-CB 4.27Å; V244-N249 PolarHBondContact N-OD1 3.36Å; V244-N249 VanDerWaalsContact N-OD1 3.12Å; V244-N249 PolarHBondContact O-ND2 3.28Å; V244-N249 PolarHBondContact O-OD1 2.94Å | ||
| 245 | D | 57.2 | Low | 73.8 | Confident | 162 Ų | 162 | 51.9 Ų | 51.9 | 87% | 0.866 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 133.6 | -179.1 | -59.2 | -51.3 | 0 | 0 | 0 | 111.5 | D247 | D245-D247 VanDerWaalsContact C-N 3.32Å; D245-D247 PolarHBondContact O-N 3.37Å |
| 246 | G | 51.2 | Low | 73.4 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 93% | 0.928 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -19.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 247 | D | 54.2 | Low | 73.1 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.8 | 155.8 | 177.6 | -92.4 | -18 | 0 | 0 | 0 | 113.2 | V244 D245 N249 R257 | V244-D247 HydrophobicContact CB-CB 4.3Å; V244-D247 HydrophobicContact CG1-CB 4.27Å; D245-D247 VanDerWaalsContact C-N 3.32Å; D245-D247 PolarHBondContact O-N 3.37Å; D247-N249 VanDerWaalsContact C-N 3.32Å; D247-N249 PolarHBondContact O-N 3.44Å; D247-N249 PolarHBondContact O-ND2 3.12Å; D247-R257 IonicContact OD2-NH2 2.67Å |
| 248 | E | 54.6 | Low | 73.1 | Confident | 182 Ų | 182 | 55.8 Ų | 55.8 | 85% | 0.85 | 33% | 0.334 | S | S | * | . | trans | -69.6 | 90.3 | 162.1 | -73.3 | -144.7 | 152.2 | 0 | 0 | 110.2 | S250 | E248-S250 PolarHBondContact O-N 3.39Š| ||
| 249 | N | 65.1 | Low | 73.3 | Confident | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -68.4 | 70.1 | 173.7 | -67.9 | -57.2 | 0 | 0 | 0 | 111.7 | V244 D247 I254 R257 | V244-N249 PolarHBondContact N-OD1 3.36Å; V244-N249 VanDerWaalsContact N-OD1 3.12Å; V244-N249 PolarHBondContact O-ND2 3.28Å; V244-N249 PolarHBondContact O-OD1 2.94Å; D247-N249 VanDerWaalsContact C-N 3.32Å; D247-N249 PolarHBondContact O-N 3.44Å; D247-N249 PolarHBondContact O-ND2 3.12Å; N249-I254 HydrophobicContact CB-CD1 4.22Å; N249-I254 HydrophobicContact CB-CG1 4.3Å; N249-R257 PolarHBondContact OD1-NH1 3.37Å; N249-R257 PolarHBondContact OD1-NH2 3.44Å | ||
| 250 | S | 69.9 | Low | 73.5 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | trans | -64 | 150.2 | 175.8 | 102.4 | 0 | 0 | 0 | 0 | 110.8 | E248 S252 D253 I254 | E248-S250 PolarHBondContact O-N 3.39Å; S250-S252 PolarHBondContact O-N 3.5Å; S250-S252 VanDerWaalsContact O-N 3.07Å; S250-S252 PolarHBondContact OG-N 3.01Å; S250-S252 PolarHBondContact OG-OG 3.26Å; S250-D253 WeakPolarHBondContact CB-OD2 3.41Å; S250-D253 PolarHBondContact O-N 2.9Å; S250-D253 PolarHBondContact OG-N 3.02Å; S250-D253 PolarHBondContact OG-OD2 2.91Å; S250-I254 PolarHBondContact O-N 3Å | ||
| 251 | H | 67.1 | Low | 73.7 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -51 | -35 | 173.7 | -80.8 | -126.9 | 0 | 0 | 0 | 111.9 | V204 A255 | V204-H251 HydrophobicContact CG2-CB 4.43Å; V204-H251 VanDerWaalsContact CG2-ND1 3.29Å; V204-H251 WeakPolarHBondContact CG2-ND1 3.44Å; H251-A255 WeakPolarHBondContact O-CB 3.3Å; H251-A255 PolarHBondContact O-N 3.05Å; H251-A255 VanDerWaalsContact O-N 3.09Å |
| 252 | S | 71.9 | Confident | 73.8 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.9 | -29.3 | 179.5 | 85.3 | 0 | 0 | 0 | 0 | 112.7 | S250 K256 | S250-S252 PolarHBondContact O-N 3.5Å; S250-S252 VanDerWaalsContact O-N 3.07Å; S250-S252 PolarHBondContact OG-N 3.01Å; S250-S252 PolarHBondContact OG-OG 3.26Å; S252-K256 WeakPolarHBondContact O-CB 3.39Å; S252-K256 WeakPolarHBondContact O-CD 3.43Å; S252-K256 WeakPolarHBondContact O-CE 3.07Å; S252-K256 WeakPolarHBondContact O-CG 3.41Å; S252-K256 PolarHBondContact O-N 3.25Å; S252-K256 WeakPolarHBondContact OG-CE 3.24Å; S252-K256 PolarHBondContact OG-NZ 3.37Å |
| 253 | D | 77.6 | Confident | 73.8 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -87.3 | -36.5 | -175.8 | -62.7 | -64.4 | 0 | 0 | 0 | 111.7 | S250 A255 K256 R257 | S250-D253 WeakPolarHBondContact CB-OD2 3.41Å; S250-D253 PolarHBondContact O-N 2.9Å; S250-D253 PolarHBondContact OG-N 3.02Å; S250-D253 PolarHBondContact OG-OD2 2.91Å; D253-A255 VanDerWaalsContact C-N 3.34Å; D253-K256 PolarHBondContact O-N 3.19Å; D253-K256 IonicContact OD1-NZ 2.58Å; D253-K256 PolarHBondContact OD1-NZ 3.49Å; D253-K256 IonicContact OD2-NZ 3.25Å; D253-R257 WeakPolarHBondContact O-CB 3.34Å; D253-R257 WeakPolarHBondContact O-CD 3.22Å; D253-R257 WeakPolarHBondContact O-CG 3.23Å; D253-R257 PolarHBondContact O-N 3.34Å |
| 254 | I | 78.7 | Confident | 74.3 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 164.9 | -59.3 | 172.1 | 0 | 0 | 0 | 109.4 | V204 E205 F242 N249 S250 K256 R257 I258 | V204-I254 HydrophobicContact CB-CG2 4.2Å; V204-I254 HydrophobicContact CG1-CB 4.45Å; V204-I254 HydrophobicContact CG1-CG2 3.99Å; E205-I254 HydrophobicContact CB-CG2 4.46Å; E205-I254 HydrophobicContact CG-CD1 4.01Å; E205-I254 HydrophobicContact CG-CG2 3.66Å; F242-I254 HydrophobicContact CB-CG2 4.49Å; N249-I254 HydrophobicContact CB-CD1 4.22Å; N249-I254 HydrophobicContact CB-CG1 4.3Å; S250-I254 PolarHBondContact O-N 3Å; I254-K256 PolarHBondContact O-N 3.04Å; I254-R257 PolarHBondContact O-N 2.89Å; I254-R257 VanDerWaalsContact O-N 3.12Å; I254-I258 HydrophobicContact CG2-CD1 3.84Å; I254-I258 HydrophobicContact CG2-CG1 4.41Å; I254-I258 WeakPolarHBondContact O-CG1 3.13Å; I254-I258 PolarHBondContact O-N 3.49Å |
| 255 | A | 78.9 | Confident | 75.2 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | V212 H251 D253 R257 I258 C259 | V212-A255 HydrophobicContact CG1-CB 3.42Å; V212-A255 VanDerWaalsContact CG1-CB 3.42Å; H251-A255 WeakPolarHBondContact O-CB 3.3Å; H251-A255 PolarHBondContact O-N 3.05Å; H251-A255 VanDerWaalsContact O-N 3.09Å; D253-A255 VanDerWaalsContact C-N 3.34Å; A255-R257 VanDerWaalsContact C-N 3.27Å; A255-R257 PolarHBondContact O-N 3.43Å; A255-I258 PolarHBondContact O-N 3.26Å; A255-C259 PolarHBondContact O-N 2.73Å; A255-C259 VanDerWaalsContact O-N 3.1Å; A255-C259 PolarHBondContact O-SG 2.75Å |
| 256 | K | 82 | Confident | 76.6 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.7 | -39.2 | 175.4 | -72.9 | 159.9 | -143.8 | 158.7 | 0 | 112.1 | S252 D253 I254 K260 | S252-K256 WeakPolarHBondContact O-CB 3.39Å; S252-K256 WeakPolarHBondContact O-CD 3.43Å; S252-K256 WeakPolarHBondContact O-CE 3.07Å; S252-K256 WeakPolarHBondContact O-CG 3.41Å; S252-K256 PolarHBondContact O-N 3.25Å; S252-K256 WeakPolarHBondContact OG-CE 3.24Å; S252-K256 PolarHBondContact OG-NZ 3.37Å; D253-K256 PolarHBondContact O-N 3.19Å; D253-K256 IonicContact OD1-NZ 2.58Å; D253-K256 PolarHBondContact OD1-NZ 3.49Å; D253-K256 IonicContact OD2-NZ 3.25Å; I254-K256 PolarHBondContact O-N 3.04Å; K256-K260 VanDerWaalsContact O-CB 3.24Å; K256-K260 WeakPolarHBondContact O-CB 3.45Å; K256-K260 WeakPolarHBondContact O-CG 3.39Å; K256-K260 PolarHBondContact O-N 2.76Å |
| 257 | R | 84.9 | Confident | 78.1 | Confident | 27 Ų | 27 | 75.3 Ų | 75.3 | 10% | 0.102 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.6 | -44.1 | 179 | -65.8 | 162.4 | -169.9 | 170.7 | -0.1 | 111.6 | F242 D247 N249 D253 I254 A255 C259 K260 K261 | F242-R257 HydrophobicContact CB-CB 4.2Å; F242-R257 HydrophobicContact CD1-CB 4.26Å; F242-R257 WeakPolarHBondContact O-CD 3.26Å; F242-R257 PolarHBondContact O-NH1 3.1Å; D247-R257 IonicContact OD2-NH2 2.67Å; N249-R257 PolarHBondContact OD1-NH1 3.37Å; N249-R257 PolarHBondContact OD1-NH2 3.44Å; D253-R257 WeakPolarHBondContact O-CB 3.34Å; D253-R257 WeakPolarHBondContact O-CD 3.22Å; D253-R257 WeakPolarHBondContact O-CG 3.23Å; D253-R257 PolarHBondContact O-N 3.34Å; I254-R257 PolarHBondContact O-N 2.89Å; I254-R257 VanDerWaalsContact O-N 3.12Å; A255-R257 VanDerWaalsContact C-N 3.27Å; A255-R257 PolarHBondContact O-N 3.43Å; R257-C259 VanDerWaalsContact C-N 3.3Å; R257-C259 PolarHBondContact O-N 3.03Å; R257-K260 PolarHBondContact O-N 3.44Å; R257-K261 HydrophobicContact CG-CD 4.15Å; R257-K261 PolarHBondContact O-N 3.3Å |
| 258 | I | 85.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -52.2 | -48.7 | 174.1 | -76.3 | 167.4 | 0 | 0 | 0 | 110.9 | V204 P209 V212 W226 F242 I254 A255 K283 | V204-I258 HydrophobicContact CG1-CD1 4.06Å; V204-I258 WeakPolarHBondContact O-CD1 3.17Å; P209-I258 HydrophobicContact CB-CG2 4.29Å; P209-I258 HydrophobicContact CG-CG2 3.84Å; V212-I258 HydrophobicContact CG2-CD1 4.31Å; V212-I258 HydrophobicContact CG2-CG2 4.19Å; W226-I258 HydrophobicContact CH2-CG2 4.44Å; W226-I258 HydrophobicContact CZ2-CG2 3.9Å; F242-I258 HydrophobicContact CB-CG1 4.11Å; F242-I258 HydrophobicContact CD1-CG1 4.46Å; F242-I258 HydrophobicContact CD2-CG1 3.55Å; F242-I258 HydrophobicContact CE2-CG1 4.09Å; F242-I258 HydrophobicContact CG-CG1 3.78Å; I254-I258 HydrophobicContact CG2-CD1 3.84Å; I254-I258 HydrophobicContact CG2-CG1 4.41Å; I254-I258 WeakPolarHBondContact O-CG1 3.13Å; I254-I258 PolarHBondContact O-N 3.49Å; A255-I258 PolarHBondContact O-N 3.26Å; I258-K283 WeakPolarHBondContact O-CD 3.45Å; I258-K283 WeakPolarHBondContact O-CE 3.05Å; I258-K283 PolarHBondContact O-NZ 3.49Å |
| 259 | C | 84.4 | Confident | 81.3 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.9 | -41.6 | -179.2 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | E213 A255 R257 | E213-C259 WeakPolarHBondContact OE1-CB 3.42Å; E213-C259 PolarHBondContact OE1-SG 3.39Å; A255-C259 PolarHBondContact O-N 2.73Å; A255-C259 VanDerWaalsContact O-N 3.1Å; A255-C259 PolarHBondContact O-SG 2.75Å; R257-C259 VanDerWaalsContact C-N 3.3Å; R257-C259 PolarHBondContact O-N 3.03Å |
| 260 | K | 84.9 | Confident | 82.6 | Confident | 178 Ų | 178 | 65.9 Ų | 65.9 | 77% | 0.774 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -113.1 | -9.2 | -163 | -54.4 | -173.6 | 178.6 | -173.1 | 0 | 117 | K256 R257 | K256-K260 VanDerWaalsContact O-CB 3.24Å; K256-K260 WeakPolarHBondContact O-CB 3.45Å; K256-K260 WeakPolarHBondContact O-CG 3.39Å; K256-K260 PolarHBondContact O-N 2.76Å; R257-K260 PolarHBondContact O-N 3.44Å |
| 261 | K | 86.6 | Confident | 83.8 | Confident | 124 Ų | 124 | 68.9 Ų | 68.9 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | trans | -117.9 | 145.5 | 179.2 | -66 | -162.4 | -177 | -174 | 0 | 111.8 | R257 K283 | R257-K261 HydrophobicContact CG-CD 4.15Å; R257-K261 PolarHBondContact O-N 3.3Å; K261-K283 WeakPolarHBondContact O-CE 3.31Å; K261-K283 PolarHBondContact O-NZ 3.48Å | ||
| 262 | D | 85.5 | Confident | 85.2 | Confident | 133 Ų | 133 | 68.2 Ų | 68.2 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | trans | -78.3 | 148.9 | 165.8 | -66.1 | -44.2 | 0 | 0 | 0 | 111 | ||||
| 263 | P | 85.4 | Confident | 86.3 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | trans | -65.7 | 137.9 | 178.6 | 26.3 | -34.8 | 0 | 0 | 0 | 112 | P241 F265 L281 | P241-P263 HydrophobicContact CB-CB 3.81Å; P263-F265 HydrophobicContact CB-CE2 4.37Å; P263-F265 HydrophobicContact CB-CZ 4.32Å; P263-F265 HydrophobicContact CG-CE2 3.68Å; P263-F265 HydrophobicContact CG-CZ 3.67Å; P263-F265 VanDerWaalsContact O-CD2 3.23Å; P263-F265 WeakPolarHBondContact O-CD2 3.12Å; P263-F265 WeakPolarHBondContact O-CE2 3.34Å; P263-F265 PolarHBondContact O-N 3.48Å; P263-L281 HydrophobicContact CB-CD1 4.22Å; P263-L281 HydrophobicContact CG-CD1 3.91Å | ||
| 264 | P | 86.4 | Confident | 87.1 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | trans | -84.6 | 97.5 | -173.7 | 32.2 | -33 | 0 | 0 | 0 | 112.3 | Y233 P241 P266 | Y233-P264 PolarHBondContact OH-O 3.5Å; P241-P264 VanDerWaalsContact O-CD 3.28Å; P241-P264 WeakPolarHBondContact O-CD 3.49Å; P264-P266 WeakPolarHBondContact O-CD 3.34Å | ||
| 265 | F | 87.3 | Confident | 88 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | trans | -75.4 | 127.6 | -176.9 | -65.3 | -78.2 | 0 | 0 | 0 | 114.4 | Y233 P263 M269 K274 I277 Q278 | Y233-F265 HydrophobicContact CD2-CD1 4.37Å; Y233-F265 HydrophobicContact CD2-CE1 4.2Å; Y233-F265 HydrophobicContact CE2-CD1 4.39Å; P263-F265 HydrophobicContact CB-CE2 4.37Å; P263-F265 HydrophobicContact CB-CZ 4.32Å; P263-F265 HydrophobicContact CG-CE2 3.68Å; P263-F265 HydrophobicContact CG-CZ 3.67Å; P263-F265 VanDerWaalsContact O-CD2 3.23Å; P263-F265 WeakPolarHBondContact O-CD2 3.12Å; P263-F265 WeakPolarHBondContact O-CE2 3.34Å; P263-F265 PolarHBondContact O-N 3.48Å; F265-M269 HydrophobicContact CD1-CE 4.26Å; F265-M269 HydrophobicContact CD1-SD 3.58Å; F265-M269 VanDerWaalsContact CD1-SD 3.58Å; F265-M269 HydrophobicContact CE1-SD 4.02Å; F265-K274 HydrophobicContact CB-CD 3.96Å; F265-K274 HydrophobicContact CB-CG 4.47Å; F265-K274 HydrophobicContact CD1-CB 4.31Å; F265-K274 HydrophobicContact CD1-CD 4.26Å; F265-K274 HydrophobicContact CD1-CG 3.85Å; F265-K274 HydrophobicContact CD2-CD 4.18Å; F265-K274 HydrophobicContact CD2-CG 4.12Å; F265-K274 HydrophobicContact CE1-CB 4.49Å; F265-K274 HydrophobicContact CE1-CG 4.05Å; F265-K274 HydrophobicContact CE2-CG 4.31Å; F265-K274 HydrophobicContact CG-CD 3.85Å; F265-K274 HydrophobicContact CG-CG 3.87Å; F265-K274 HydrophobicContact CZ-CG 4.28Å; F265-I277 HydrophobicContact CE1-CB 4.04Å; F265-I277 HydrophobicContact CE1-CG2 3.73Å; F265-I277 HydrophobicContact CZ-CB 4.32Å; F265-I277 HydrophobicContact CZ-CG2 3.87Å; F265-Q278 HydrophobicContact CD2-CG 4.38Å; F265-Q278 HydrophobicContact CE1-CG 4.47Å; F265-Q278 HydrophobicContact CE2-CG 3.33Å; F265-Q278 HydrophobicContact CZ-CG 3.39Å | ||
| 266 | P | 85.8 | Confident | 88.9 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 29% | 0.286 | 34% | 0.342 | S | S | . | . | trans | -58.6 | 154.5 | 167.7 | -25.4 | 36.2 | 0 | 0 | 0 | 113.3 | T237 P264 D268 M269 | T237-P266 HydrophobicContact CG2-CG 3.86Å; P264-P266 WeakPolarHBondContact O-CD 3.34Å; P266-D268 VanDerWaalsContact C-N 3.29Å; P266-D268 WeakPolarHBondContact CB-OD1 3.5Å; P266-D268 PolarHBondContact O-N 2.81Å; P266-M269 PolarHBondContact O-N 2.95Å | ||
| 267 | K | 83.1 | Confident | 89.5 | Confident | 217 Ų | 217 | 62.7 Ų | 62.7 | 94% | 0.943 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.7 | -178.7 | -66.1 | -177 | -178.5 | 177.3 | 0 | 113.7 | ||
| 268 | D | 84.4 | Confident | 90 | Very high | 99 Ų | 99 | 66 Ų | 66 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -2.8 | -179.7 | 61.2 | -39.2 | 0 | 0 | 0 | 113.5 | R137 P266 | R137-D268 IonicContact CZ-OD2 3.61Å; R137-D268 VanDerWaalsContact CZ-OD2 3.26Å; R137-D268 IonicContact NH1-OD2 2.68Å; R137-D268 PolarHBondContact NH1-OD2 2.9Å; R137-D268 IonicContact NH2-OD2 2.6Å; R137-D268 PolarHBondContact NH2-OD2 3.42Å; P266-D268 VanDerWaalsContact C-N 3.29Å; P266-D268 WeakPolarHBondContact CB-OD1 3.5Å; P266-D268 PolarHBondContact O-N 2.81Å |
| 269 | M | 91.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -73.8 | 130.4 | 169.4 | -172.9 | 179.6 | -68.7 | 0 | 0 | 110.5 | Y233 L236 T237 F265 P266 A273 K274 I277 | Y233-M269 HydrophobicContact CD2-CE 4.33Å; L236-M269 HydrophobicContact CB-CE 3.84Å; L236-M269 HydrophobicContact CD1-CE 3.84Å; L236-M269 HydrophobicContact CD1-CG 4.45Å; L236-M269 HydrophobicContact CD1-SD 4.22Å; T237-M269 HydrophobicContact CG2-CE 3.92Å; F265-M269 HydrophobicContact CD1-CE 4.26Å; F265-M269 HydrophobicContact CD1-SD 3.58Å; F265-M269 VanDerWaalsContact CD1-SD 3.58Å; F265-M269 HydrophobicContact CE1-SD 4.02Å; P266-M269 PolarHBondContact O-N 2.95Å; M269-A273 HydrophobicContact CG-CB 4.04Å; M269-A273 HydrophobicContact SD-CB 4.38Å; M269-K274 HydrophobicContact CG-CB 4.46Å; M269-K274 HydrophobicContact SD-CB 4.19Å; M269-I277 HydrophobicContact CE-CD1 4.33Å; M269-I277 HydrophobicContact SD-CD1 4.07Å |
| 270 | G | 93.4 | Very high | 91 | Very high | 15 Ų | 15 | 70.6 Ų | 70.6 | 16% | 0.155 | 35% | 0.351 | C | S | . | . | trans | -66.9 | 151.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | E140 L272 A273 K274 | E140-G270 WeakPolarHBondContact OE1-CA 3.46Å; E140-G270 PolarHBondContact OE1-N 3.4Å; G270-L272 VanDerWaalsContact C-N 3.26Å; G270-L272 PolarHBondContact O-N 3.19Å; G270-A273 PolarHBondContact O-N 2.77Å; G270-K274 WeakPolarHBondContact O-CB 3.35Å; G270-K274 PolarHBondContact O-N 2.8Å | ||
| 271 | P | 94.4 | Very high | 91.5 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.7 | -30.1 | -172.6 | 24.9 | -34.3 | 0 | 0 | 0 | 113.1 | D275 | P271-D275 VanDerWaalsContact O-CB 3.23Å; P271-D275 WeakPolarHBondContact O-CB 3.21Å; P271-D275 PolarHBondContact O-N 2.97Å |
| 272 | L | 95.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -76.3 | -39 | 179.6 | -59.2 | -175.2 | 0 | 0 | 0 | 112.7 | G270 L276 H302 P303 F304 | G270-L272 VanDerWaalsContact C-N 3.26Å; G270-L272 PolarHBondContact O-N 3.19Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 PolarHBondContact O-N 2.88Å; L272-H302 VanDerWaalsContact C-CE1 3.48Å; L272-H302 PolarHBondContact O-CE1 3.08Å; L272-P303 HydrophobicContact CD1-CB 4.45Å; L272-P303 HydrophobicContact CD2-CB 4.2Å; L272-F304 HydrophobicContact CB-CB 4.28Å; L272-F304 HydrophobicContact CB-CD2 4.22Å |
| 273 | A | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E140 L236 M269 G270 L276 I277 F304 | E140-A273 HydrophobicContact CG-CB 4.44Å; E140-A273 VanDerWaalsContact OE1-CB 3.29Å; E140-A273 WeakPolarHBondContact OE1-CB 3.45Å; L236-A273 HydrophobicContact CD1-CB 3.91Å; M269-A273 HydrophobicContact CG-CB 4.04Å; M269-A273 HydrophobicContact SD-CB 4.38Å; G270-A273 PolarHBondContact O-N 2.77Å; A273-L276 PolarHBondContact O-N 2.75Å; A273-I277 WeakPolarHBondContact O-CB 3.31Å; A273-I277 VanDerWaalsContact O-CG1 3.31Å; A273-I277 WeakPolarHBondContact O-CG1 3.31Å; A273-I277 PolarHBondContact O-N 2.75Å; A273-F304 HydrophobicContact CB-CD2 4.08Å; A273-F304 HydrophobicContact CB-CE2 3.68Å; A273-F304 HydrophobicContact CB-CZ 4.48Å |
| 274 | K | 95.6 | Very high | 92.2 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 176 | 178.2 | 169.6 | 179.1 | 174.9 | 0 | 112.4 | F265 M269 G270 L276 I277 Q278 | F265-K274 HydrophobicContact CB-CD 3.96Å; F265-K274 HydrophobicContact CB-CG 4.47Å; F265-K274 HydrophobicContact CD1-CB 4.31Å; F265-K274 HydrophobicContact CD1-CD 4.26Å; F265-K274 HydrophobicContact CD1-CG 3.85Å; F265-K274 HydrophobicContact CD2-CD 4.18Å; F265-K274 HydrophobicContact CD2-CG 4.12Å; F265-K274 HydrophobicContact CE1-CB 4.49Å; F265-K274 HydrophobicContact CE1-CG 4.05Å; F265-K274 HydrophobicContact CE2-CG 4.31Å; F265-K274 HydrophobicContact CG-CD 3.85Å; F265-K274 HydrophobicContact CG-CG 3.87Å; F265-K274 HydrophobicContact CZ-CG 4.28Å; M269-K274 HydrophobicContact CG-CB 4.46Å; M269-K274 HydrophobicContact SD-CB 4.19Å; G270-K274 WeakPolarHBondContact O-CB 3.35Å; G270-K274 PolarHBondContact O-N 2.8Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.48Å; K274-I277 PolarHBondContact O-N 2.74Å; K274-Q278 HydrophobicContact CG-CG 4.35Å; K274-Q278 WeakPolarHBondContact O-CB 3.47Å; K274-Q278 VanDerWaalsContact O-CG 3.29Å; K274-Q278 WeakPolarHBondContact O-CG 3.26Å; K274-Q278 PolarHBondContact O-N 2.86Å |
| 275 | D | 96.5 | Very high | 92.3 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 178.8 | 179.5 | 56.9 | 0 | 0 | 0 | 112.2 | P271 R279 H302 | P271-D275 VanDerWaalsContact O-CB 3.23Å; P271-D275 WeakPolarHBondContact O-CB 3.21Å; P271-D275 PolarHBondContact O-N 2.97Å; D275-R279 VanDerWaalsContact CG-NH2 3.25Å; D275-R279 WeakPolarHBondContact O-CG 3.26Å; D275-R279 PolarHBondContact O-N 3.24Å; D275-R279 VanDerWaalsContact O-N 3.14Å; D275-R279 IonicContact OD1-CZ 3.92Å; D275-R279 VanDerWaalsContact OD1-CZ 3.24Å; D275-R279 IonicContact OD1-NE 3.76Å; D275-R279 PolarHBondContact OD1-NE 2.9Å; D275-R279 IonicContact OD1-NH2 2.63Å; D275-R279 PolarHBondContact OD1-NH2 3.4Å; D275-R279 IonicContact OD2-CZ 3.24Å; D275-R279 IonicContact OD2-NE 2.78Å; D275-R279 PolarHBondContact OD2-NE 3.34Å; D275-R279 VanDerWaalsContact OD2-NE 3.07Å; D275-R279 IonicContact OD2-NH2 2.65Å; D275-R279 PolarHBondContact OD2-NH2 3.39Å; D275-H302 IonicContact OD1-NE2 3.8Å; D275-H302 IonicContact OD2-CD2 3.84Å; D275-H302 IonicContact OD2-CE1 3.62Å; D275-H302 PolarHBondContact OD2-CE1 3.02Å; D275-H302 VanDerWaalsContact OD2-CE1 3.3Å; D275-H302 IonicContact OD2-NE2 2.75Å; D275-H302 PolarHBondContact OD2-NE2 3.3Å |
| 276 | L | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 174.4 | 178.2 | 54 | 0 | 0 | 0 | 111.8 | M232 L272 A273 K274 Q278 R279 L280 L289 H302 F304 Y305 | M232-L276 HydrophobicContact CE-CD2 3.53Å; M232-L276 HydrophobicContact CE-CG 4.33Å; M232-L276 HydrophobicContact SD-CD2 4.07Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 PolarHBondContact O-N 2.88Å; A273-L276 PolarHBondContact O-N 2.75Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.48Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 2.77Å; L276-R279 PolarHBondContact O-N 2.56Å; L276-R279 VanDerWaalsContact O-N 3.13Å; L276-L280 HydrophobicContact CD1-CD1 3.86Å; L276-L280 HydrophobicContact CD1-CG 4.06Å; L276-L280 HydrophobicContact CG-CD1 3.93Å; L276-L280 WeakPolarHBondContact O-CG 3.26Å; L276-L280 PolarHBondContact O-N 3.16Å; L276-L289 HydrophobicContact CD1-CD2 3.45Å; L276-L289 VanDerWaalsContact CD1-CD2 3.45Å; L276-H302 HydrophobicContact CD1-CB 4.17Å; L276-H302 PolarHBondContact N-CE1 2.96Å; L276-H302 VanDerWaalsContact N-CE1 3.3Å; L276-F304 HydrophobicContact CB-CB 4.42Å; L276-F304 HydrophobicContact CD2-CB 3.9Å; L276-F304 HydrophobicContact CD2-CD1 3.32Å; L276-F304 HydrophobicContact CD2-CE1 4Å; L276-F304 HydrophobicContact CD2-CG 3.79Å; L276-Y305 HydrophobicContact CD1-CE2 4.42Å; L276-Y305 HydrophobicContact CD2-CD2 4.32Å; L276-Y305 HydrophobicContact CD2-CE2 3.51Å |
| 277 | I | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | -178.9 | -68.1 | 164.4 | 0 | 0 | 0 | 110.8 | M232 L236 F265 M269 A273 K274 R279 L280 L281 | M232-I277 HydrophobicContact CB-CD1 4.12Å; M232-I277 HydrophobicContact CB-CG1 3.97Å; L236-I277 HydrophobicContact CD1-CD1 3.9Å; F265-I277 HydrophobicContact CE1-CB 4.04Å; F265-I277 HydrophobicContact CE1-CG2 3.73Å; F265-I277 HydrophobicContact CZ-CB 4.32Å; F265-I277 HydrophobicContact CZ-CG2 3.87Å; M269-I277 HydrophobicContact CE-CD1 4.33Å; M269-I277 HydrophobicContact SD-CD1 4.07Å; A273-I277 WeakPolarHBondContact O-CB 3.31Å; A273-I277 VanDerWaalsContact O-CG1 3.31Å; A273-I277 WeakPolarHBondContact O-CG1 3.31Å; A273-I277 PolarHBondContact O-N 2.75Å; K274-I277 PolarHBondContact O-N 2.74Å; I277-R279 VanDerWaalsContact C-N 3.29Å; I277-R279 PolarHBondContact O-N 2.73Å; I277-L280 PolarHBondContact O-N 2.56Å; I277-L281 HydrophobicContact CG2-CD1 3.69Å; I277-L281 HydrophobicContact CG2-CG 4.25Å; I277-L281 WeakPolarHBondContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CG 3.33Å; I277-L281 PolarHBondContact O-N 3.43Å |
| 278 | Q | 95.4 | Very high | 92.9 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 174.6 | -74.1 | -172.2 | -82.7 | 0 | 0 | 112.5 | F265 K274 L276 V282 | F265-Q278 HydrophobicContact CD2-CG 4.38Å; F265-Q278 HydrophobicContact CE1-CG 4.47Å; F265-Q278 HydrophobicContact CE2-CG 3.33Å; F265-Q278 HydrophobicContact CZ-CG 3.39Å; K274-Q278 HydrophobicContact CG-CG 4.35Å; K274-Q278 WeakPolarHBondContact O-CB 3.47Å; K274-Q278 VanDerWaalsContact O-CG 3.29Å; K274-Q278 WeakPolarHBondContact O-CG 3.26Å; K274-Q278 PolarHBondContact O-N 2.86Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 2.77Å; Q278-V282 WeakPolarHBondContact O-CG2 3.37Å; Q278-V282 PolarHBondContact O-N 2.89Å |
| 279 | R | 95.7 | Very high | 93.3 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -77.7 | -27.9 | 178.4 | -66.3 | 172.6 | -165.9 | -139.2 | 9.1 | 113.6 | D275 L276 I277 V282 L289 H302 | D275-R279 VanDerWaalsContact CG-NH2 3.25Å; D275-R279 WeakPolarHBondContact O-CG 3.26Å; D275-R279 PolarHBondContact O-N 3.24Å; D275-R279 VanDerWaalsContact O-N 3.14Å; D275-R279 IonicContact OD1-CZ 3.92Å; D275-R279 VanDerWaalsContact OD1-CZ 3.24Å; D275-R279 IonicContact OD1-NE 3.76Å; D275-R279 PolarHBondContact OD1-NE 2.9Å; D275-R279 IonicContact OD1-NH2 2.63Å; D275-R279 PolarHBondContact OD1-NH2 3.4Å; D275-R279 IonicContact OD2-CZ 3.24Å; D275-R279 IonicContact OD2-NE 2.78Å; D275-R279 PolarHBondContact OD2-NE 3.34Å; D275-R279 VanDerWaalsContact OD2-NE 3.07Å; D275-R279 IonicContact OD2-NH2 2.65Å; D275-R279 PolarHBondContact OD2-NH2 3.39Å; L276-R279 PolarHBondContact O-N 2.56Å; L276-R279 VanDerWaalsContact O-N 3.13Å; I277-R279 VanDerWaalsContact C-N 3.29Å; I277-R279 PolarHBondContact O-N 2.73Å; R279-V282 WeakPolarHBondContact O-CG2 3.45Å; R279-L289 HydrophobicContact CB-CB 3.92Å; R279-L289 HydrophobicContact CB-CD2 4.24Å; R279-L289 PolarHBondContact O-N 2.94Å; R279-H302 WeakPolarHBondContact CD-NE2 3.3Å; R279-H302 PolarHBondContact NE-NE2 2.99Å; R279-H302 VanDerWaalsContact NE-NE2 3.19Å |
| 280 | L | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.3 | -33 | 171.6 | -69.2 | 170.6 | 0 | 0 | 0 | 112 | W225 L228 M232 L276 I277 V282 R288 L289 | W225-L280 HydrophobicContact CB-CD2 4.03Å; L228-L280 HydrophobicContact CD2-CD1 4.38Å; L228-L280 HydrophobicContact CG-CD1 4.34Å; M232-L280 HydrophobicContact SD-CD1 3.95Å; L276-L280 HydrophobicContact CD1-CD1 3.86Å; L276-L280 HydrophobicContact CD1-CG 4.06Å; L276-L280 HydrophobicContact CG-CD1 3.93Å; L276-L280 WeakPolarHBondContact O-CG 3.26Å; L276-L280 PolarHBondContact O-N 3.16Å; I277-L280 PolarHBondContact O-N 2.56Å; L280-V282 VanDerWaalsContact C-N 3.35Å; L280-V282 PolarHBondContact O-N 2.83Å; L280-R288 WeakPolarHBondContact O-CD 3.35Å; L280-R288 WeakPolarHBondContact O-CG 3.36Å; L280-L289 HydrophobicContact CD2-CB 4.14Å; L280-L289 HydrophobicContact CD2-CD2 4.37Å |
| 281 | L | 94.7 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -94.6 | 24 | 179.2 | -61.7 | -179.1 | 0 | 0 | 0 | 114 | W226 V230 P263 I277 K283 | W226-L281 HydrophobicContact CD2-CD2 3.64Å; W226-L281 HydrophobicContact CE3-CB 4.42Å; W226-L281 HydrophobicContact CE3-CD2 3.85Å; W226-L281 HydrophobicContact CG-CD2 4.14Å; W226-L281 HydrophobicContact CH2-CB 4.49Å; W226-L281 HydrophobicContact CH2-CD2 4.27Å; W226-L281 HydrophobicContact CZ2-CD2 4.06Å; W226-L281 HydrophobicContact CZ3-CB 4.17Å; W226-L281 HydrophobicContact CZ3-CD2 4.17Å; W226-L281 VanDerWaalsContact CZ3-O 3.23Å; W226-L281 WeakPolarHBondContact CZ3-O 3.32Å; W226-L281 WeakPolarHBondContact O-CD2 3.17Å; V230-L281 HydrophobicContact CG2-CD2 3.72Å; P263-L281 HydrophobicContact CB-CD1 4.22Å; P263-L281 HydrophobicContact CG-CD1 3.91Å; I277-L281 HydrophobicContact CG2-CD1 3.69Å; I277-L281 HydrophobicContact CG2-CG 4.25Å; I277-L281 WeakPolarHBondContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CG 3.33Å; I277-L281 PolarHBondContact O-N 3.43Å; L281-K283 PolarHBondContact O-N 3.21Å |
| 282 | V | 93.8 | Very high | 91.6 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | trans | -65.4 | 126.5 | 167.8 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | Q278 R279 L280 D284 K287 R288 | Q278-V282 WeakPolarHBondContact O-CG2 3.37Å; Q278-V282 PolarHBondContact O-N 2.89Å; R279-V282 WeakPolarHBondContact O-CG2 3.45Å; L280-V282 VanDerWaalsContact C-N 3.35Å; L280-V282 PolarHBondContact O-N 2.83Å; V282-D284 HydrophobicContact CG1-CB 4.32Å; V282-K287 HydrophobicContact CG1-CB 4.01Å; V282-R288 HydrophobicContact CB-CB 4.33Å; V282-R288 HydrophobicContact CB-CG 4.45Å; V282-R288 PolarHBondContact O-NE 2.92Å; V282-R288 PolarHBondContact O-NH2 2.77Å | ||
| 283 | K | 90.4 | Very high | 90.5 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -61 | -48.4 | -176.8 | -46.4 | -55 | -176.5 | -178.4 | 0 | 111.8 | P209 W226 I258 K261 L281 P285 R288 | P209-K283 HydrophobicContact CG-CB 4.35Å; P209-K283 HydrophobicContact CG-CD 4.03Å; W226-K283 HydrophobicContact CH2-CD 3.85Å; W226-K283 HydrophobicContact CZ3-CD 3.94Å; I258-K283 WeakPolarHBondContact O-CD 3.45Å; I258-K283 WeakPolarHBondContact O-CE 3.05Å; I258-K283 PolarHBondContact O-NZ 3.49Å; K261-K283 WeakPolarHBondContact O-CE 3.31Å; K261-K283 PolarHBondContact O-NZ 3.48Å; L281-K283 PolarHBondContact O-N 3.21Å; K283-P285 VanDerWaalsContact O-CD 3.3Å; K283-P285 WeakPolarHBondContact O-CD 3.32Å; K283-R288 PolarHBondContact O-NH2 2.57Å |
| 284 | D | 88.3 | Confident | 89.7 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65.9 | 111.6 | 176.1 | 179.5 | -18.1 | 0 | 0 | 0 | 111.3 | V282 K286 K287 R288 | V282-D284 HydrophobicContact CG1-CB 4.32Å; D284-K286 PolarHBondContact O-N 2.81Å; D284-K286 WeakPolarHBondContact OD1-CB 3.46Å; D284-K286 PolarHBondContact OD1-N 3.04Å; D284-K287 HydrophobicContact CB-CB 4.26Å; D284-K287 HydrophobicContact CB-CD 4.48Å; D284-K287 HydrophobicContact CB-CG 4.36Å; D284-K287 PolarHBondContact O-N 2.79Å; D284-K287 VanDerWaalsContact O-N 3.14Å; D284-K287 PolarHBondContact OD1-N 3.12Å; D284-K287 WeakPolarHBondContact OD2-CG 3.34Å; D284-K287 IonicContact OD2-NZ 2.68Å; D284-K287 PolarHBondContact OD2-NZ 2.69Å; D284-R288 PolarHBondContact O-N 3.14Å; D284-R288 VanDerWaalsContact O-N 3.15Å |
| 285 | P | 87.6 | Confident | 89.1 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.9 | -176.3 | 26.2 | -34.1 | 0 | 0 | 0 | 113.4 | E210 A222 K283 S291 | E210-P285 HydrophobicContact CG-CG 4.43Å; A222-P285 HydrophobicContact CB-CB 3.78Å; K283-P285 VanDerWaalsContact O-CD 3.3Å; K283-P285 WeakPolarHBondContact O-CD 3.32Å; P285-S291 VanDerWaalsContact O-CB 3.24Å; P285-S291 WeakPolarHBondContact O-CB 3.33Å; P285-S291 PolarHBondContact O-OG 3.12Å |
| 286 | K | 87.1 | Confident | 88.8 | Confident | 180 Ų | 180 | 53 Ų | 53 | 78% | 0.783 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -22.6 | 178.4 | -60 | -177.2 | -177.8 | 179.4 | 0 | 112.5 | D284 | D284-K286 PolarHBondContact O-N 2.81Å; D284-K286 WeakPolarHBondContact OD1-CB 3.46Å; D284-K286 PolarHBondContact OD1-N 3.04Å |
| 287 | K | 89.9 | Confident | 88.6 | Confident | 158 Ų | 158 | 56.2 Ų | 56.2 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -10.7 | 175.9 | -62.9 | -173.4 | -174.8 | 93.5 | 0 | 113.7 | V282 D284 | V282-K287 HydrophobicContact CG1-CB 4.01Å; D284-K287 HydrophobicContact CB-CB 4.26Å; D284-K287 HydrophobicContact CB-CD 4.48Å; D284-K287 HydrophobicContact CB-CG 4.36Å; D284-K287 PolarHBondContact O-N 2.79Å; D284-K287 VanDerWaalsContact O-N 3.14Å; D284-K287 PolarHBondContact OD1-N 3.12Å; D284-K287 WeakPolarHBondContact OD2-CG 3.34Å; D284-K287 IonicContact OD2-NZ 2.68Å; D284-K287 PolarHBondContact OD2-NZ 2.69Å |
| 288 | R | 93.2 | Very high | 88.4 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -63.4 | 143.3 | -179.7 | -162.8 | 178.2 | -63.5 | 151.8 | 4.6 | 112.2 | E210 A222 L280 V282 K283 D284 S291 | E210-R288 IonicContact OE1-CZ 2.63Å; E210-R288 IonicContact OE1-NH1 3.89Å; E210-R288 PolarHBondContact OE1-NH1 3.19Å; E210-R288 IonicContact OE1-NH2 2.68Å; E210-R288 PolarHBondContact OE1-NH2 2.97Å; E210-R288 IonicContact OE2-CZ 3.7Å; E210-R288 IonicContact OE2-NH1 3.68Å; E210-R288 IonicContact OE2-NH2 2.75Å; E210-R288 PolarHBondContact OE2-NH2 3.04Å; A222-R288 WeakPolarHBondContact O-CD 3.35Å; A222-R288 PolarHBondContact O-NH1 3.18Å; L280-R288 WeakPolarHBondContact O-CD 3.35Å; L280-R288 WeakPolarHBondContact O-CG 3.36Å; V282-R288 HydrophobicContact CB-CB 4.33Å; V282-R288 HydrophobicContact CB-CG 4.45Å; V282-R288 PolarHBondContact O-NE 2.92Å; V282-R288 PolarHBondContact O-NH2 2.77Å; K283-R288 PolarHBondContact O-NH2 2.57Å; D284-R288 PolarHBondContact O-N 3.14Å; D284-R288 VanDerWaalsContact O-N 3.15Å; R288-S291 VanDerWaalsContact O-CB 3.27Å; R288-S291 WeakPolarHBondContact O-CB 3.11Å; R288-S291 PolarHBondContact O-N 3.25Å; R288-S291 PolarHBondContact O-OG 2.89Å |
| 289 | L | 92.6 | Very high | 88.4 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 139.4 | 175.1 | -167.2 | 70.6 | 0 | 0 | 0 | 110.5 | W225 L276 R279 L280 S291 N298 V299 | W225-L289 WeakPolarHBondContact CB-O 3.46Å; L276-L289 HydrophobicContact CD1-CD2 3.45Å; L276-L289 VanDerWaalsContact CD1-CD2 3.45Å; R279-L289 HydrophobicContact CB-CB 3.92Å; R279-L289 HydrophobicContact CB-CD2 4.24Å; R279-L289 PolarHBondContact O-N 2.94Å; L280-L289 HydrophobicContact CD2-CB 4.14Å; L280-L289 HydrophobicContact CD2-CD2 4.37Å; L289-S291 VanDerWaalsContact C-N 3.3Å; L289-N298 HydrophobicContact CD1-CB 4.22Å; L289-V299 HydrophobicContact CD2-CG2 4.48Å; L289-V299 HydrophobicContact CG-CG2 4.19Å |
| 290 | G | 86.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -8.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W225 G295 | W225-G290 VanDerWaalsContact CD1-C 3.4Å; W225-G290 VanDerWaalsContact NE1-C 3.35Å; W225-G290 PolarHBondContact NE1-O 3.04Å; G290-G295 WeakPolarHBondContact CA-O 3.43Å; G290-G295 CarbonylContact O-C 3.57Å; G290-G295 VanDerWaalsContact O-CA 3.31Å; G290-G295 WeakPolarHBondContact O-CA 3.45Å |
| 291 | S | 80.6 | Confident | 88.3 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | trans | -82.1 | 162 | 170.5 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | A222 P285 R288 L289 | A222-S291 WeakPolarHBondContact CB-OG 3.35Å; P285-S291 VanDerWaalsContact O-CB 3.24Å; P285-S291 WeakPolarHBondContact O-CB 3.33Å; P285-S291 PolarHBondContact O-OG 3.12Å; R288-S291 VanDerWaalsContact O-CB 3.27Å; R288-S291 WeakPolarHBondContact O-CB 3.11Å; R288-S291 PolarHBondContact O-N 3.25Å; R288-S291 PolarHBondContact O-OG 2.89Å; L289-S291 VanDerWaalsContact C-N 3.3Å | ||
| 292 | G | 76.2 | Confident | 88.5 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 85.7 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N294 G295 | G292-N294 VanDerWaalsContact C-N 3.29Å; G292-N294 PolarHBondContact O-N 3.04Å; G292-G295 PolarHBondContact O-N 2.63Å |
| 293 | P | 73.4 | Confident | 88.6 | Confident | 139 Ų | 139 | 57.7 Ų | 57.7 | 90% | 0.903 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -27.7 | -167.8 | 24.7 | -34.8 | 0 | 0 | 0 | 114.4 | G295 | P293-G295 VanDerWaalsContact C-N 3.31Š|
| 294 | N | 76.9 | Confident | 88.9 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.9 | 177.4 | -64.1 | -5.4 | 0 | 0 | 0 | 112.9 | G292 A296 E297 N298 | G292-N294 VanDerWaalsContact C-N 3.29Å; G292-N294 PolarHBondContact O-N 3.04Å; N294-A296 PolarHBondContact O-N 2.59Å; N294-E297 WeakPolarHBondContact O-CB 3.46Å; N294-E297 PolarHBondContact O-N 3.11Å; N294-E297 VanDerWaalsContact O-N 3.11Å; N294-N298 VanDerWaalsContact CB-OD1 3.26Å; N294-N298 WeakPolarHBondContact CB-OD1 3.37Å; N294-N298 PolarHBondContact ND2-OD1 3.49Å |
| 295 | G | 84.6 | Confident | 89.3 | Confident | 17 Ų | 17 | 54 Ų | 54 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -129.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G290 G292 P293 E297 N298 | G290-G295 WeakPolarHBondContact CA-O 3.43Å; G290-G295 CarbonylContact O-C 3.57Å; G290-G295 VanDerWaalsContact O-CA 3.31Å; G290-G295 WeakPolarHBondContact O-CA 3.45Å; G292-G295 PolarHBondContact O-N 2.63Å; P293-G295 VanDerWaalsContact C-N 3.31Å; G295-E297 PolarHBondContact O-N 2.89Å; G295-E297 VanDerWaalsContact O-N 3.13Å; G295-N298 PolarHBondContact O-N 3.2Å; G295-N298 VanDerWaalsContact O-N 3.14Å |
| 296 | A | 90 | Very high | 89.5 | Confident | 7 Ų | 7 | 60 Ų | 60 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.7 | -27.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E155 W225 N294 N298 V299 K300 | E155-A296 HydrophobicContact CB-CB 3.67Å; E155-A296 HydrophobicContact CG-CB 3.73Å; W225-A296 HydrophobicContact CH2-CB 3.66Å; W225-A296 HydrophobicContact CZ2-CB 3.74Å; N294-A296 PolarHBondContact O-N 2.59Å; A296-N298 PolarHBondContact O-N 2.86Å; A296-V299 WeakPolarHBondContact O-CA 3.48Å; A296-V299 WeakPolarHBondContact O-CB 3.27Å; A296-V299 PolarHBondContact O-N 3.09Å; A296-K300 PolarHBondContact O-N 3.2Å |
| 297 | E | 92.1 | Very high | 89.6 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -28.9 | 179.3 | -69 | -61.4 | 127.7 | 0 | 0 | 112.6 | N294 G295 V299 K300 K301 | N294-E297 WeakPolarHBondContact O-CB 3.46Å; N294-E297 PolarHBondContact O-N 3.11Å; N294-E297 VanDerWaalsContact O-N 3.11Å; G295-E297 PolarHBondContact O-N 2.89Å; G295-E297 VanDerWaalsContact O-N 3.13Å; E297-V299 VanDerWaalsContact C-N 3.32Å; E297-K300 WeakPolarHBondContact OE1-CD 3.25Å; E297-K300 WeakPolarHBondContact OE1-CE 3.27Å; E297-K300 IonicContact OE1-NZ 3.7Å; E297-K300 PolarHBondContact OE1-NZ 3.08Å; E297-K301 WeakPolarHBondContact O-CB 3.47Å; E297-K301 VanDerWaalsContact O-CD 3.3Å; E297-K301 WeakPolarHBondContact O-CD 3.17Å; E297-K301 WeakPolarHBondContact O-CG 3.44Å; E297-K301 PolarHBondContact O-N 3Å |
| 298 | N | 92.2 | Very high | 89.8 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.8 | -31 | 173 | -71.1 | -13.2 | 0 | 0 | 0 | 111.8 | L289 N294 G295 A296 | L289-N298 HydrophobicContact CD1-CB 4.22Å; N294-N298 VanDerWaalsContact CB-OD1 3.26Å; N294-N298 WeakPolarHBondContact CB-OD1 3.37Å; N294-N298 PolarHBondContact ND2-OD1 3.49Å; G295-N298 PolarHBondContact O-N 3.2Å; G295-N298 VanDerWaalsContact O-N 3.14Å; A296-N298 PolarHBondContact O-N 2.86Å |
| 299 | V | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74 | -48.1 | 174.9 | -172 | 0 | 0 | 0 | 0 | 109.9 | V151 W225 L289 A296 E297 K301 H302 Y305 | V151-V299 HydrophobicContact CG2-CG1 3.79Å; W225-V299 HydrophobicContact CD2-CG2 4.21Å; W225-V299 HydrophobicContact CE3-CG2 4.07Å; W225-V299 HydrophobicContact CH2-CG2 4.48Å; W225-V299 HydrophobicContact CZ3-CG2 4.22Å; L289-V299 HydrophobicContact CD2-CG2 4.48Å; L289-V299 HydrophobicContact CG-CG2 4.19Å; A296-V299 WeakPolarHBondContact O-CA 3.48Å; A296-V299 WeakPolarHBondContact O-CB 3.27Å; A296-V299 PolarHBondContact O-N 3.09Å; E297-V299 VanDerWaalsContact C-N 3.32Å; V299-K301 PolarHBondContact O-N 2.76Å; V299-H302 VanDerWaalsContact O-CB 3.28Å; V299-H302 WeakPolarHBondContact O-CB 3.25Å; V299-H302 PolarHBondContact O-N 3.37Å; V299-Y305 HydrophobicContact CG1-CE2 3.93Å; V299-Y305 VanDerWaalsContact O-CD2 3.32Å; V299-Y305 WeakPolarHBondContact O-CD2 3.43Å |
| 300 | K | 95.4 | Very high | 89.9 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.4 | -33.1 | -179.4 | -68.1 | -174.5 | -169.7 | 164.2 | 0 | 114.2 | V151 E155 A296 E297 H302 W310 | V151-K300 HydrophobicContact CG1-CG 3.91Å; E155-K300 IonicContact OE1-NZ 3.9Å; E155-K300 PolarHBondContact OE1-NZ 3.18Å; E155-K300 WeakPolarHBondContact OE2-CE 3.16Å; E155-K300 IonicContact OE2-NZ 2.74Å; E155-K300 PolarHBondContact OE2-NZ 3.25Å; A296-K300 PolarHBondContact O-N 3.2Å; E297-K300 WeakPolarHBondContact OE1-CD 3.25Å; E297-K300 WeakPolarHBondContact OE1-CE 3.27Å; E297-K300 IonicContact OE1-NZ 3.7Å; E297-K300 PolarHBondContact OE1-NZ 3.08Å; K300-H302 VanDerWaalsContact C-N 3.28Å; K300-H302 PolarHBondContact O-N 3.46Å; K300-W310 VanDerWaalsContact CA-CZ2 3.49Å; K300-W310 HydrophobicContact CB-CD2 4.25Å; K300-W310 HydrophobicContact CB-CH2 4.36Å; K300-W310 HydrophobicContact CB-CZ2 3.7Å; K300-W310 HydrophobicContact CD-CD2 3.86Å; K300-W310 HydrophobicContact CD-CE3 4.11Å; K300-W310 HydrophobicContact CD-CG 4.16Å; K300-W310 HydrophobicContact CG-CD2 3.88Å; K300-W310 HydrophobicContact CG-CE3 4.05Å; K300-W310 HydrophobicContact CG-CH2 3.88Å; K300-W310 HydrophobicContact CG-CZ2 3.7Å; K300-W310 HydrophobicContact CG-CZ3 4.04Å; K300-W310 PolarHBondContact O-NE1 3.37Å |
| 301 | K | 94.9 | Very high | 90.2 | Very high | 146 Ų | 146 | 65.4 Ų | 65.4 | 64% | 0.635 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1 | -180 | -70.1 | 168 | -170.2 | 171.7 | 0 | 113.8 | E297 V299 | E297-K301 WeakPolarHBondContact O-CB 3.47Å; E297-K301 VanDerWaalsContact O-CD 3.3Å; E297-K301 WeakPolarHBondContact O-CD 3.17Å; E297-K301 WeakPolarHBondContact O-CG 3.44Å; E297-K301 PolarHBondContact O-N 3Å; V299-K301 PolarHBondContact O-N 2.76Å |
| 302 | H | 97.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -68.8 | 135.7 | 177.9 | -168.2 | -84.7 | 0 | 0 | 0 | 111 | L272 D275 L276 R279 V299 K300 F304 Y305 | L272-H302 VanDerWaalsContact C-CE1 3.48Å; L272-H302 PolarHBondContact O-CE1 3.08Å; D275-H302 IonicContact OD1-NE2 3.8Å; D275-H302 IonicContact OD2-CD2 3.84Å; D275-H302 IonicContact OD2-CE1 3.62Å; D275-H302 PolarHBondContact OD2-CE1 3.02Å; D275-H302 VanDerWaalsContact OD2-CE1 3.3Å; D275-H302 IonicContact OD2-NE2 2.75Å; D275-H302 PolarHBondContact OD2-NE2 3.3Å; L276-H302 HydrophobicContact CD1-CB 4.17Å; L276-H302 PolarHBondContact N-CE1 2.96Å; L276-H302 VanDerWaalsContact N-CE1 3.3Å; R279-H302 WeakPolarHBondContact CD-NE2 3.3Å; R279-H302 PolarHBondContact NE-NE2 2.99Å; R279-H302 VanDerWaalsContact NE-NE2 3.19Å; V299-H302 VanDerWaalsContact O-CB 3.28Å; V299-H302 WeakPolarHBondContact O-CB 3.25Å; V299-H302 PolarHBondContact O-N 3.37Å; K300-H302 VanDerWaalsContact C-N 3.28Å; K300-H302 PolarHBondContact O-N 3.46Å; H302-F304 WeakPolarHBondContact ND1-CB 3.12Å; H302-F304 PolarHBondContact ND1-N 2.93Å; H302-F304 PolarHBondContact O-N 3.04Å; H302-Y305 HydrophobicContact CB-CD2 4.24Å; H302-Y305 PolarHBondContact O-N 3.42Å |
| 303 | P | 96.6 | Very high | 91.5 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.1 | -21.7 | -175.3 | -28 | 35.7 | 0 | 0 | 0 | 115.7 | L272 Y305 Q306 | L272-P303 HydrophobicContact CD1-CB 4.45Å; L272-P303 HydrophobicContact CD2-CB 4.2Å; P303-Y305 PolarHBondContact O-N 2.83Å; P303-Q306 WeakPolarHBondContact O-CB 3.44Å; P303-Q306 PolarHBondContact O-N 2.81Å; P303-Q306 VanDerWaalsContact O-N 3.11Å |
| 304 | F | 96.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 10% | 0.101 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -54.8 | -35.8 | 170.8 | -178 | -106.7 | 0 | 0 | 0 | 112.7 | E140 A144 M232 L272 A273 L276 H302 | E140-F304 HydrophobicContact CB-CE2 4.28Å; A144-F304 HydrophobicContact CB-CD1 4.22Å; A144-F304 HydrophobicContact CB-CE1 3.54Å; A144-F304 HydrophobicContact CB-CZ 3.71Å; M232-F304 HydrophobicContact CE-CD1 4.05Å; M232-F304 HydrophobicContact CE-CE1 3.4Å; M232-F304 HydrophobicContact CE-CZ 3.99Å; L272-F304 HydrophobicContact CB-CB 4.28Å; L272-F304 HydrophobicContact CB-CD2 4.22Å; A273-F304 HydrophobicContact CB-CD2 4.08Å; A273-F304 HydrophobicContact CB-CE2 3.68Å; A273-F304 HydrophobicContact CB-CZ 4.48Å; L276-F304 HydrophobicContact CB-CB 4.42Å; L276-F304 HydrophobicContact CD2-CB 3.9Å; L276-F304 HydrophobicContact CD2-CD1 3.32Å; L276-F304 HydrophobicContact CD2-CE1 4Å; L276-F304 HydrophobicContact CD2-CG 3.79Å; H302-F304 WeakPolarHBondContact ND1-CB 3.12Å; H302-F304 PolarHBondContact ND1-N 2.93Å; H302-F304 PolarHBondContact O-N 3.04Å |
| 305 | Y | 96.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -90.9 | 5.2 | 179.2 | -61.3 | -72.7 | 0 | 0 | 0 | 114.3 | S147 L276 V299 H302 P303 K307 I308 W310 | S147-Y305 WeakPolarHBondContact CB-OH 3.46Å; S147-Y305 VanDerWaalsContact OG-CE1 3.29Å; S147-Y305 WeakPolarHBondContact OG-CE1 3.11Å; S147-Y305 PolarHBondContact OG-OH 2.82Å; L276-Y305 HydrophobicContact CD1-CE2 4.42Å; L276-Y305 HydrophobicContact CD2-CD2 4.32Å; L276-Y305 HydrophobicContact CD2-CE2 3.51Å; V299-Y305 HydrophobicContact CG1-CE2 3.93Å; V299-Y305 VanDerWaalsContact O-CD2 3.32Å; V299-Y305 WeakPolarHBondContact O-CD2 3.43Å; H302-Y305 HydrophobicContact CB-CD2 4.24Å; H302-Y305 PolarHBondContact O-N 3.42Å; P303-Y305 PolarHBondContact O-N 2.83Å; Y305-K307 PolarHBondContact O-N 3.35Å; Y305-I308 HydrophobicContact CD1-CD1 4.18Å; Y305-I308 PolarHBondContact O-N 2.83Å; Y305-W310 AromaticContact CD1-CH2 3.79Å; Y305-W310 HydrophobicContact CD1-CH2 3.79Å; Y305-W310 AromaticContact CD1-CZ2 3.77Å; Y305-W310 HydrophobicContact CD1-CZ2 3.77Å; Y305-W310 HydrophobicContact CD2-CH2 4.45Å; Y305-W310 HydrophobicContact CD2-CZ2 4.11Å; Y305-W310 HydrophobicContact CE1-CH2 4.06Å; Y305-W310 HydrophobicContact CE1-CZ2 4.46Å; Y305-W310 HydrophobicContact CG-CH2 4Å; Y305-W310 AromaticContact CG-CZ2 3.58Å; Y305-W310 HydrophobicContact CG-CZ2 3.58Å |
| 306 | Q | 92 | Very high | 92.9 | Very high | 164 Ų | 164 | 59.3 Ų | 59.3 | 77% | 0.766 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23 | -173.3 | -174 | -178.8 | 15.3 | 0 | 0 | 114.4 | P303 | P303-Q306 WeakPolarHBondContact O-CB 3.44Å; P303-Q306 PolarHBondContact O-N 2.81Å; P303-Q306 VanDerWaalsContact O-N 3.11Å |
| 307 | K | 89.3 | Confident | 92.9 | Very high | 193 Ų | 193 | 65.7 Ų | 65.7 | 84% | 0.839 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 0.1 | -179.1 | -63.9 | -179.4 | 179.1 | 177.9 | 0 | 114.4 | Y305 | Y305-K307 PolarHBondContact O-N 3.35Š|
| 308 | I | 92.9 | Very high | 92.8 | Very high | 26 Ų | 26 | 64.3 Ų | 64.3 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | trans | -105 | 123.7 | -175.8 | -74.5 | 172.1 | 0 | 0 | 0 | 110.1 | A144 L145 Y305 W310 L313 | A144-I308 HydrophobicContact CB-CD1 4.05Å; A144-I308 WeakPolarHBondContact O-CD1 3.43Å; L145-I308 HydrophobicContact CD2-CD1 4.02Å; L145-I308 HydrophobicContact CD2-CG1 4.2Å; Y305-I308 HydrophobicContact CD1-CD1 4.18Å; Y305-I308 PolarHBondContact O-N 2.83Å; I308-W310 HydrophobicContact CG2-CD2 4.34Å; I308-W310 PolarHBondContact O-N 3.05Å; I308-L313 HydrophobicContact CG2-CB 4.34Å; I308-L313 HydrophobicContact CG2-CD2 3.88Å | ||
| 309 | N | 94.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | trans | -80.8 | 112.7 | 163.4 | -176.9 | 1.6 | 0 | 0 | 0 | 109.1 | E311 D312 L313 | N309-E311 VanDerWaalsContact C-N 3.28Å; N309-E311 PolarHBondContact O-N 3.35Å; N309-E311 PolarHBondContact OD1-N 3.23Å; N309-D312 HydrophobicContact CB-CB 4.09Å; N309-D312 PolarHBondContact ND2-OD2 2.9Å; N309-D312 PolarHBondContact O-N 2.85Å; N309-L313 WeakPolarHBondContact O-CB 3.28Å; N309-L313 PolarHBondContact O-N 3.31Å | ||
| 310 | W | 93.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -26.8 | -179.4 | -66.1 | 98.8 | 0 | 0 | 0 | 113.8 | V151 L152 K300 Y305 I308 L313 A314 | V151-W310 HydrophobicContact CB-CH2 4.25Å; V151-W310 HydrophobicContact CB-CZ3 4.15Å; V151-W310 HydrophobicContact CG1-CH2 3.98Å; V151-W310 HydrophobicContact CG1-CZ3 3.9Å; L152-W310 HydrophobicContact CD1-CE3 4.28Å; L152-W310 HydrophobicContact CD2-CE3 4.01Å; L152-W310 HydrophobicContact CG-CE3 3.99Å; L152-W310 HydrophobicContact CG-CZ3 4.18Å; K300-W310 VanDerWaalsContact CA-CZ2 3.49Å; K300-W310 HydrophobicContact CB-CD2 4.25Å; K300-W310 HydrophobicContact CB-CH2 4.36Å; K300-W310 HydrophobicContact CB-CZ2 3.7Å; K300-W310 HydrophobicContact CD-CD2 3.86Å; K300-W310 HydrophobicContact CD-CE3 4.11Å; K300-W310 HydrophobicContact CD-CG 4.16Å; K300-W310 HydrophobicContact CG-CD2 3.88Å; K300-W310 HydrophobicContact CG-CE3 4.05Å; K300-W310 HydrophobicContact CG-CH2 3.88Å; K300-W310 HydrophobicContact CG-CZ2 3.7Å; K300-W310 HydrophobicContact CG-CZ3 4.04Å; K300-W310 PolarHBondContact O-NE1 3.37Å; Y305-W310 AromaticContact CD1-CH2 3.79Å; Y305-W310 HydrophobicContact CD1-CH2 3.79Å; Y305-W310 AromaticContact CD1-CZ2 3.77Å; Y305-W310 HydrophobicContact CD1-CZ2 3.77Å; Y305-W310 HydrophobicContact CD2-CH2 4.45Å; Y305-W310 HydrophobicContact CD2-CZ2 4.11Å; Y305-W310 HydrophobicContact CE1-CH2 4.06Å; Y305-W310 HydrophobicContact CE1-CZ2 4.46Å; Y305-W310 HydrophobicContact CG-CH2 4Å; Y305-W310 AromaticContact CG-CZ2 3.58Å; Y305-W310 HydrophobicContact CG-CZ2 3.58Å; I308-W310 HydrophobicContact CG2-CD2 4.34Å; I308-W310 PolarHBondContact O-N 3.05Å; W310-L313 HydrophobicContact CE3-CD2 4.41Å; W310-L313 HydrophobicContact CZ3-CD2 4.38Å; W310-A314 WeakPolarHBondContact O-CB 3.44Å; W310-A314 PolarHBondContact O-N 3.16Å |
| 311 | E | 92.5 | Very high | 92 | Very high | 151 Ų | 151 | 68 Ų | 68 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -75.8 | -41.7 | 176.4 | -62.3 | -173.9 | 171.1 | 0 | 0 | 111.9 | N309 L313 A314 G315 | N309-E311 VanDerWaalsContact C-N 3.28Å; N309-E311 PolarHBondContact O-N 3.35Å; N309-E311 PolarHBondContact OD1-N 3.23Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-A314 PolarHBondContact O-N 2.7Å; E311-G315 PolarHBondContact O-N 3.22Å |
| 312 | D | 92.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.6 | -33.9 | 175.7 | -68.8 | -30.6 | 0 | 0 | 0 | 111.6 | N309 K316 K317 V318 | N309-D312 HydrophobicContact CB-CB 4.09Å; N309-D312 PolarHBondContact ND2-OD2 2.9Å; N309-D312 PolarHBondContact O-N 2.85Å; D312-K316 PolarHBondContact O-N 3.49Å; D312-K317 HydrophobicContact CB-CB 4.15Å; D312-K317 HydrophobicContact CB-CD 4.44Å; D312-K317 WeakPolarHBondContact O-CB 3.26Å; D312-K317 PolarHBondContact O-N 2.7Å; D312-K317 WeakPolarHBondContact OD1-CD 3.26Å; D312-K317 WeakPolarHBondContact OD1-CE 2.97Å; D312-K317 IonicContact OD1-NZ 3.32Å; D312-K317 PolarHBondContact OD1-NZ 2.83Å; D312-V318 HydrophobicContact CB-CG2 3.84Å |
| 313 | L | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68 | -49.9 | 171.9 | -167.4 | 66.1 | 0 | 0 | 0 | 110.7 | Y102 L145 E149 L152 I308 N309 W310 E311 G315 K316 V318 | Y102-L313 PolarHBondContact OH-O 2.95Å; L145-L313 HydrophobicContact CD2-CD1 4.34Å; E149-L313 HydrophobicContact CG-CD1 3.88Å; E149-L313 HydrophobicContact CG-CD2 4.33Å; E149-L313 HydrophobicContact CG-CG 4.23Å; L152-L313 HydrophobicContact CD1-CB 4.12Å; L152-L313 HydrophobicContact CD1-CD2 3.91Å; L152-L313 HydrophobicContact CD1-CG 3.87Å; I308-L313 HydrophobicContact CG2-CB 4.34Å; I308-L313 HydrophobicContact CG2-CD2 3.88Å; N309-L313 WeakPolarHBondContact O-CB 3.28Å; N309-L313 PolarHBondContact O-N 3.31Å; W310-L313 HydrophobicContact CE3-CD2 4.41Å; W310-L313 HydrophobicContact CZ3-CD2 4.38Å; E311-L313 VanDerWaalsContact C-N 3.34Å; L313-G315 PolarHBondContact O-N 2.76Å; L313-G315 VanDerWaalsContact O-N 3.12Å; L313-K316 PolarHBondContact O-N 3.44Å; L313-V318 HydrophobicContact CD1-CB 4.25Å |
| 314 | A | 88.8 | Confident | 90.4 | Very high | 46 Ų | 46 | 66.1 Ų | 66.1 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.8 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L152 W310 E311 | L152-A314 HydrophobicContact CD1-CB 4.07Å; L152-A314 HydrophobicContact CD2-CB 4.38Å; W310-A314 WeakPolarHBondContact O-CB 3.44Å; W310-A314 PolarHBondContact O-N 3.16Å; E311-A314 PolarHBondContact O-N 2.7Å |
| 315 | G | 86.8 | Confident | 89.4 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 5.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E311 L313 K317 | E311-G315 PolarHBondContact O-N 3.22Å; L313-G315 PolarHBondContact O-N 2.76Å; L313-G315 VanDerWaalsContact O-N 3.12Å; G315-K317 PolarHBondContact O-N 3.41Å |
| 316 | K | 88.4 | Confident | 88.3 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.1 | -170.5 | -76.5 | -170.2 | 168.4 | -179.3 | 0 | 113.7 | P101 Y102 D175 H179 D312 L313 | P101-K316 HydrophobicContact CB-CD 4.11Å; P101-K316 HydrophobicContact CB-CG 4.42Å; P101-K316 HydrophobicContact CG-CG 4.42Å; P101-K316 WeakPolarHBondContact O-CE 3.19Å; P101-K316 PolarHBondContact O-NZ 2.85Å; Y102-K316 HydrophobicContact CE1-CD 4.31Å; Y102-K316 HydrophobicContact CE1-CG 4.1Å; D175-K316 IonicContact OD2-NZ 2.63Å; D175-K316 PolarHBondContact OD2-NZ 3.39Å; H179-K316 HydrophobicContact CB-CD 4.25Å; H179-K316 VanDerWaalsContact CB-CE 3.44Å; D312-K316 PolarHBondContact O-N 3.49Å; L313-K316 PolarHBondContact O-N 3.44Å |
| 317 | K | 89.9 | Confident | 86.8 | Confident | 141 Ų | 141 | 74.1 Ų | 74.1 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | trans | -87.3 | -28.4 | 176 | -48.9 | -173.6 | -143.7 | 155.3 | 0 | 112.9 | D312 G315 | D312-K317 HydrophobicContact CB-CB 4.15Å; D312-K317 HydrophobicContact CB-CD 4.44Å; D312-K317 WeakPolarHBondContact O-CB 3.26Å; D312-K317 PolarHBondContact O-N 2.7Å; D312-K317 WeakPolarHBondContact OD1-CD 3.26Å; D312-K317 WeakPolarHBondContact OD1-CE 2.97Å; D312-K317 IonicContact OD1-NZ 3.32Å; D312-K317 PolarHBondContact OD1-NZ 2.83Å; G315-K317 PolarHBondContact O-N 3.41Å | ||
| 318 | V | 89.9 | Confident | 85.4 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -74.4 | 127 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 108 | L145 H179 D312 L313 | L145-V318 HydrophobicContact CD2-CG1 3.66Å; H179-V318 PolarHBondContact CE1-O 3.06Å; H179-V318 VanDerWaalsContact CE1-O 3.31Å; D312-V318 HydrophobicContact CB-CG2 3.84Å; L313-V318 HydrophobicContact CD1-CB 4.25Å |
| 319 | P | 88.4 | Confident | 83.7 | Confident | 104 Ų | 104 | 74.7 Ų | 74.7 | 68% | 0.675 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 145.7 | -179.8 | 28.4 | -35 | 0 | 0 | 0 | 111.9 | ||
| 320 | A | 89.9 | Confident | 82 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 153.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N177 G178 F322 | N177-A320 WeakPolarHBondContact O-CB 3.3Å; G178-A320 VanDerWaalsContact C-CB 3.42Å; G178-A320 WeakPolarHBondContact O-CB 3.06Å; A320-F322 PolarHBondContact O-N 3.27Å; A320-F322 VanDerWaalsContact O-N 3.16Å |
| 321 | P | 88.3 | Confident | 80.5 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 21% | 0.214 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -50.9 | -36.4 | 178.3 | -34.1 | 40.1 | 0 | 0 | 0 | 116 | E142 L145 Y146 | E142-P321 HydrophobicContact CB-CB 3.81Å; E142-P321 HydrophobicContact CB-CG 3.95Å; E142-P321 HydrophobicContact CG-CB 3.87Å; E142-P321 HydrophobicContact CG-CG 4.45Å; L145-P321 HydrophobicContact CB-CG 4.12Å; L145-P321 HydrophobicContact CD1-CG 3.99Å; Y146-P321 HydrophobicContact CD1-CG 4.46Å; Y146-P321 HydrophobicContact CD2-CG 4.13Å; Y146-P321 HydrophobicContact CE1-CG 4.04Å; Y146-P321 HydrophobicContact CE2-CB 4.01Å; Y146-P321 HydrophobicContact CE2-CG 3.67Å; Y146-P321 HydrophobicContact CG-CG 4.49Å |
| 322 | F | 86.8 | Confident | 79.2 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | trans | -156.9 | 156.3 | 172.2 | 69.5 | -76.9 | 0 | 0 | 0 | 109.8 | H131 R135 F138 Y146 L174 G178 A320 P324 | H131-F322 HydrophobicContact CB-CZ 3.91Å; H131-F322 AromaticContact CE1-CE2 3.87Å; H131-F322 AromaticContact CG-CZ 3.62Å; H131-F322 AromaticContact ND1-CE2 3.49Å; H131-F322 WeakPolarHBondContact ND1-CE2 3.28Å; H131-F322 AromaticContact ND1-CZ 3.52Å; R135-F322 VanDerWaalsContact NH2-CB 3.31Å; F138-F322 HydrophobicContact CE1-CD1 4.36Å; F138-F322 AromaticContact CE1-CE1 3.73Å; F138-F322 HydrophobicContact CE1-CE1 3.73Å; F138-F322 HydrophobicContact CZ-CE1 4.25Å; Y146-F322 HydrophobicContact CE2-CE1 4.26Å; Y146-F322 WeakPolarHBondContact OH-CD1 3.28Å; Y146-F322 WeakPolarHBondContact OH-CE1 3.35Å; L174-F322 HydrophobicContact CD1-CE1 3.99Å; L174-F322 HydrophobicContact CD1-CE2 4.22Å; L174-F322 HydrophobicContact CD1-CZ 3.46Å; L174-F322 VanDerWaalsContact CD1-CZ 3.46Å; G178-F322 WeakPolarHBondContact CA-O 3.25Å; A320-F322 PolarHBondContact O-N 3.27Å; A320-F322 VanDerWaalsContact O-N 3.16Å; F322-P324 HydrophobicContact CE2-CG 4.37Å | ||
| 323 | K | 86 | Confident | 78 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 125.3 | 172.3 | -168.7 | 165.1 | -172.1 | 163 | 0 | 109.5 | S176 N177 | S176-K323 WeakPolarHBondContact O-CE 3.28Å; S176-K323 WeakPolarHBondContact O-CG 3.37Å; N177-K323 WeakPolarHBondContact OD1-CE 3.44Å; N177-K323 PolarHBondContact OD1-NZ 2.88Å |
| 324 | P | 81.9 | Confident | 76.8 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 143.9 | 172.8 | -26.7 | 35.6 | 0 | 0 | 0 | 111.5 | L174 G178 F322 I326 | L174-P324 HydrophobicContact CB-CG 4.11Å; L174-P324 HydrophobicContact CD1-CG 4.36Å; G178-P324 VanDerWaalsContact CA-CD 3.45Å; F322-P324 HydrophobicContact CE2-CG 4.37Å; P324-I326 HydrophobicContact CB-CD1 4.35Å; P324-I326 HydrophobicContact CB-CG1 4.47Å; P324-I326 PolarHBondContact O-N 3.5Å |
| 325 | V | 75.4 | Confident | 75.6 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 65% | 0.648 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 120.9 | 174.4 | -179 | 0 | 0 | 0 | 0 | 108 | N334 | V325-N334 PolarHBondContact O-ND2 3.18Š|
| 326 | I | 73.7 | Confident | 74.3 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | trans | -133.8 | 119.6 | -178.6 | -64.7 | 157.1 | 0 | 0 | 0 | 106.3 | P324 D328 D331 | P324-I326 HydrophobicContact CB-CD1 4.35Å; P324-I326 HydrophobicContact CB-CG1 4.47Å; P324-I326 PolarHBondContact O-N 3.5Å; I326-D328 WeakPolarHBondContact CG2-O 3.48Å; I326-D331 HydrophobicContact CG2-CB 4.38Å | ||
| 327 | R | 61.1 | Low | 73.1 | Confident | 201 Ų | 201 | 68.7 Ų | 68.7 | 76% | 0.758 | 35% | 0.351 | S | S | * | . | trans | -82.4 | -40.6 | -177.1 | -62.6 | 168 | -176.1 | -173.3 | 3.5 | 112.3 | D331 | R327-D331 HydrophobicContact CB-CB 4.38Å; R327-D331 VanDerWaalsContact CB-OD2 3.3Å; R327-D331 WeakPolarHBondContact CB-OD2 3.01Å; R327-D331 VanDerWaalsContact CG-OD2 3.25Å; R327-D331 WeakPolarHBondContact CG-OD2 3.11Å; R327-D331 PolarHBondContact N-OD2 3.01Å | ||
| 328 | D | 59.6 | Low | 71.4 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -157.1 | 177.7 | -178.3 | 66.9 | 83.3 | 0 | 0 | 0 | 111.1 | I326 L330 D331 | I326-D328 WeakPolarHBondContact CG2-O 3.48Å; D328-L330 PolarHBondContact O-N 2.87Å; D328-L330 WeakPolarHBondContact OD1-CA 3.24Å; D328-L330 WeakPolarHBondContact OD1-CB 3.32Å; D328-L330 PolarHBondContact OD1-N 2.91Å; D328-D331 WeakPolarHBondContact O-CB 3.42Å; D328-D331 PolarHBondContact O-N 2.85Å; D328-D331 PolarHBondContact OD1-N 2.99Å |
| 329 | E | 57.9 | Low | 70 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 66% | 0.659 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.2 | -176.7 | -62.1 | -169.6 | 157.2 | 0 | 0 | 114.5 | L66 Y122 | L66-E329 HydrophobicContact CD1-CB 3.95Å; L66-E329 WeakPolarHBondContact CD1-O 3.32Å; Y122-E329 WeakPolarHBondContact CE1-O 3.49Å |
| 330 | L | 58.6 | Low | 68.8 | Low | 61 Ų | 61 | 64.5 Ų | 64.5 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.6 | 177.2 | -59.9 | -179.7 | 0 | 0 | 0 | 112.7 | L41 L54 L66 D328 V332 | L41-L330 HydrophobicContact CD1-CD2 3.6Å; L54-L330 HydrophobicContact CD2-CD2 4.22Å; L66-L330 HydrophobicContact CD1-CD2 3.78Å; L66-L330 HydrophobicContact CD2-CD2 3.81Å; L66-L330 HydrophobicContact CG-CD2 4.45Å; D328-L330 PolarHBondContact O-N 2.87Å; D328-L330 WeakPolarHBondContact OD1-CA 3.24Å; D328-L330 WeakPolarHBondContact OD1-CB 3.32Å; D328-L330 PolarHBondContact OD1-N 2.91Å; L330-V332 PolarHBondContact O-N 3.12Å |
| 331 | D | 62.4 | Low | 67.8 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 8% | 0.08 | 35% | 0.35 | C | S | . | . | trans | -69.4 | 119 | 179.1 | -166.3 | 0.5 | 0 | 0 | 0 | 110.9 | Y122 I326 R327 D328 S333 | Y122-D331 PolarHBondContact OH-O 3.44Å; I326-D331 HydrophobicContact CG2-CB 4.38Å; R327-D331 HydrophobicContact CB-CB 4.38Å; R327-D331 VanDerWaalsContact CB-OD2 3.3Å; R327-D331 WeakPolarHBondContact CB-OD2 3.01Å; R327-D331 VanDerWaalsContact CG-OD2 3.25Å; R327-D331 WeakPolarHBondContact CG-OD2 3.11Å; R327-D331 PolarHBondContact N-OD2 3.01Å; D328-D331 WeakPolarHBondContact O-CB 3.42Å; D328-D331 PolarHBondContact O-N 2.85Å; D328-D331 PolarHBondContact OD1-N 2.99Å; D331-S333 WeakPolarHBondContact OD1-CB 3.23Å; D331-S333 PolarHBondContact OD1-N 2.8Å; D331-S333 PolarHBondContact OD1-OG 2.91Å | ||
| 332 | V | 65.6 | Low | 66.5 | Low | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | trans | -116.5 | 14.2 | 178.9 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | K42 L44 L54 L330 N334 F335 T340 | K42-V332 HydrophobicContact CD-CB 4.49Å; K42-V332 HydrophobicContact CD-CG1 4.15Å; K42-V332 HydrophobicContact CD-CG2 3.54Å; L44-V332 HydrophobicContact CD2-CB 4.42Å; L44-V332 HydrophobicContact CD2-CG1 3.67Å; L54-V332 HydrophobicContact CD2-CG1 4.1Å; L330-V332 PolarHBondContact O-N 3.12Å; V332-N334 PolarHBondContact O-N 2.9Å; V332-F335 HydrophobicContact CB-CD2 3.96Å; V332-F335 HydrophobicContact CG1-CD2 4.29Å; V332-F335 WeakPolarHBondContact O-CB 3.48Å; V332-F335 PolarHBondContact O-N 2.71Å; V332-T340 HydrophobicContact CB-CG2 3.85Å; V332-T340 HydrophobicContact CG2-CG2 3.59Å | ||
| 333 | S | 66.7 | Low | 64.8 | Low | 63 Ų | 63 | 77.5 Ų | 77.5 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.1 | -179.2 | 74.1 | 0 | 0 | 0 | 0 | 114.5 | D331 | D331-S333 WeakPolarHBondContact OD1-CB 3.23Å; D331-S333 PolarHBondContact OD1-N 2.8Å; D331-S333 PolarHBondContact OD1-OG 2.91Å |
| 334 | N | 66.2 | Low | 63.5 | Low | 9 Ų | 9 | 73.2 Ų | 73.2 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.5 | 172.5 | -57.1 | -61.2 | 0 | 0 | 0 | 113.3 | N124 G125 G126 V325 V332 | N124-N334 PolarHBondContact O-ND2 2.93Å; G125-N334 WeakPolarHBondContact O-CB 3.14Å; G126-N334 WeakPolarHBondContact CA-O 3.48Å; V325-N334 PolarHBondContact O-ND2 3.18Å; V332-N334 PolarHBondContact O-N 2.9Å |
| 335 | F | 64.8 | Low | 62.2 | Low | 16 Ų | 16 | 76.8 Ų | 76.8 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -101.4 | 161.1 | 172.6 | -65.5 | -96.9 | 0 | 0 | 0 | 110.3 | L44 Y122 V123 V332 E337 T340 | L44-F335 HydrophobicContact CB-CD1 4.1Å; L44-F335 HydrophobicContact CB-CE1 4.12Å; L44-F335 HydrophobicContact CD1-CE1 4.3Å; L44-F335 HydrophobicContact CD1-CZ 4.32Å; L44-F335 HydrophobicContact CD2-CD1 3.97Å; L44-F335 HydrophobicContact CD2-CD2 3.96Å; L44-F335 HydrophobicContact CD2-CE1 3.95Å; L44-F335 HydrophobicContact CD2-CE2 3.95Å; L44-F335 HydrophobicContact CD2-CG 3.97Å; L44-F335 HydrophobicContact CD2-CZ 3.94Å; L44-F335 HydrophobicContact CG-CE1 4.35Å; Y122-F335 AromaticContact CE2-CE2 3.92Å; Y122-F335 HydrophobicContact CE2-CE2 3.92Å; Y122-F335 AromaticContact CE2-CZ 3.85Å; Y122-F335 HydrophobicContact CE2-CZ 3.85Å; V123-F335 WeakPolarHBondContact O-CZ 3.19Å; V332-F335 HydrophobicContact CB-CD2 3.96Å; V332-F335 HydrophobicContact CG1-CD2 4.29Å; V332-F335 WeakPolarHBondContact O-CB 3.48Å; V332-F335 PolarHBondContact O-N 2.71Å; F335-E337 PolarHBondContact O-N 2.69Å; F335-T340 HydrophobicContact CB-CG2 3.83Å |
| 336 | A | 59 | Low | 61.1 | Low | 29 Ų | 29 | 75.2 Ų | 75.2 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | trans | -64.1 | 125.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E338 F339 T340 | A336-E338 VanDerWaalsContact C-N 3.26Å; A336-E338 HydrophobicContact CB-CG 4.23Å; A336-E338 PolarHBondContact O-N 2.74Å; A336-F339 HydrophobicContact CB-CD2 3.83Å; A336-F339 HydrophobicContact CB-CE2 4.07Å; A336-F339 PolarHBondContact O-N 3Å; A336-T340 PolarHBondContact O-N 3.31Å | ||
| 337 | E | 63.3 | Low | 59.9 | Low | 142 Ų | 142 | 75.6 Ų | 75.6 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54 | -43.1 | -174.6 | -166.7 | 161.1 | -130.9 | 0 | 0 | 111.7 | F335 F339 T340 E341 | F335-E337 PolarHBondContact O-N 2.69Å; E337-F339 PolarHBondContact O-N 3.09Å; E337-T340 WeakPolarHBondContact CA-OG1 3.39Å; E337-T340 PolarHBondContact O-N 2.7Å; E337-T340 PolarHBondContact O-OG1 2.91Å; E337-T340 VanDerWaalsContact O-OG1 3.09Å; E337-E341 HydrophobicContact CG-CG 4.11Å; E337-E341 PolarHBondContact O-N 3.1Å |
| 338 | E | 54.7 | Low | 58.9 | Low | 138 Ų | 138 | 72 Ų | 72 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -56.2 | -18.9 | 177.2 | 65.1 | 166 | -119 | 0 | 0 | 115.6 | A336 M342 | A336-E338 VanDerWaalsContact C-N 3.26Å; A336-E338 HydrophobicContact CB-CG 4.23Å; A336-E338 PolarHBondContact O-N 2.74Å; E338-M342 WeakPolarHBondContact O-CG 3.3Å |
| 339 | F | 59 | Low | 58.3 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -95.6 | -43.4 | 170.5 | -55.6 | -39.3 | 0 | 0 | 0 | 111.4 | V43 T46 A336 E337 E341 M342 | V43-F339 WeakPolarHBondContact CB-O 3.23Å; V43-F339 HydrophobicContact CG1-CB 4.4Å; V43-F339 CarbonylContact O-C 3.54Å; T46-F339 HydrophobicContact CG2-CD1 3.87Å; T46-F339 HydrophobicContact CG2-CE1 4.08Å; T46-F339 WeakPolarHBondContact OG1-CE1 3.36Å; A336-F339 HydrophobicContact CB-CD2 3.83Å; A336-F339 HydrophobicContact CB-CE2 4.07Å; A336-F339 PolarHBondContact O-N 3Å; E337-F339 PolarHBondContact O-N 3.09Å; F339-E341 VanDerWaalsContact C-N 3.28Å; F339-E341 PolarHBondContact O-N 3.03Å; F339-M342 VanDerWaalsContact O-CB 3.3Å; F339-M342 WeakPolarHBondContact O-CB 3.17Å; F339-M342 WeakPolarHBondContact O-CG 3.35Å; F339-M342 PolarHBondContact O-N 3.24Å |
| 340 | T | 64.6 | Low | 57.6 | Low | 27 Ų | 27 | 66.1 Ų | 66.1 | 17% | 0.166 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.4 | -24.4 | -175.9 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | V332 F335 A336 E337 | V332-T340 HydrophobicContact CB-CG2 3.85Å; V332-T340 HydrophobicContact CG2-CG2 3.59Å; F335-T340 HydrophobicContact CB-CG2 3.83Å; A336-T340 PolarHBondContact O-N 3.31Å; E337-T340 WeakPolarHBondContact CA-OG1 3.39Å; E337-T340 PolarHBondContact O-N 2.7Å; E337-T340 PolarHBondContact O-OG1 2.91Å; E337-T340 VanDerWaalsContact O-OG1 3.09Å |
| 341 | E | 67.8 | Low | 56.8 | Low | 152 Ų | 152 | 69.5 Ų | 69.5 | 71% | 0.71 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -13.4 | 171 | -68.2 | -166 | 130.7 | 0 | 0 | 113.6 | E337 F339 D343 | E337-E341 HydrophobicContact CG-CG 4.11Å; E337-E341 PolarHBondContact O-N 3.1Å; F339-E341 VanDerWaalsContact C-N 3.28Å; F339-E341 PolarHBondContact O-N 3.03Å; E341-D343 PolarHBondContact O-N 2.87Å |
| 342 | M | 61.3 | Low | 55.8 | Low | 81 Ų | 81 | 69.8 Ų | 69.8 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -69.9 | 134.6 | 178.3 | -59.8 | -164.8 | 94 | 0 | 0 | 111.2 | V43 T46 K51 E338 F339 | V43-M342 HydrophobicContact CB-CB 4.22Å; V43-M342 HydrophobicContact CG1-SD 4.45Å; V43-M342 HydrophobicContact CG2-CB 3.93Å; T46-M342 HydrophobicContact CG2-SD 4.14Å; K51-M342 PolarHBondContact NZ-SD 2.95Å; K51-M342 VanDerWaalsContact NZ-SD 3.45Å; E338-M342 WeakPolarHBondContact O-CG 3.3Å; F339-M342 VanDerWaalsContact O-CB 3.3Å; F339-M342 WeakPolarHBondContact O-CB 3.17Å; F339-M342 WeakPolarHBondContact O-CG 3.35Å; F339-M342 PolarHBondContact O-N 3.24Å |
| 343 | D | 51.4 | Low | 54.5 | Low | 126 Ų | 126 | 78.3 Ų | 78.3 | 67% | 0.674 | 43% | 0.432 | S | S | * | . | trans | -48.5 | 131.3 | 164.7 | -71.9 | -56.9 | 0 | 0 | 0 | 110.8 | E341 T345 | E341-D343 PolarHBondContact O-N 2.87Å; D343-T345 WeakPolarHBondContact CB-OG1 3.34Å; D343-T345 PolarHBondContact O-N 3.08Å | ||
| 344 | P | 57.8 | Low | 53.3 | Low | 45 Ų | 45 | 80.6 Ų | 80.6 | 29% | 0.292 | 44% | 0.44 | S | S | . | . | trans | -72.6 | 32.9 | 178.2 | 30.4 | -35.2 | 0 | 0 | 0 | 113.3 | L40 Y346 | L40-P344 HydrophobicContact CB-CB 4.23Å; L40-P344 WeakPolarHBondContact CD2-O 3.33Å; P344-Y346 PolarHBondContact O-N 2.74Å | ||
| 345 | T | 55.7 | Low | 51.8 | Low | 85 Ų | 85 | 80.3 Ų | 80.3 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | trans | -70.6 | 119.5 | -175.1 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | D343 S347 | D343-T345 WeakPolarHBondContact CB-OG1 3.34Å; D343-T345 PolarHBondContact O-N 3.08Å; T345-S347 VanDerWaalsContact C-N 3.32Å; T345-S347 PolarHBondContact O-N 3.19Å; T345-S347 PolarHBondContact O-OG 2.76Å | ||
| 346 | Y | 52.4 | Low | 50.5 | Low | 73 Ų | 73 | 83.9 Ų | 83.9 | 29% | 0.286 | 46% | 0.458 | S | S | . | . | trans | -73.8 | 79.2 | 174.4 | -176.5 | -102.9 | 0 | 0 | 0 | 111.6 | I35 V71 K115 H117 P344 | I35-Y346 HydrophobicContact CD1-CD1 4.16Å; I35-Y346 HydrophobicContact CD1-CD2 3.37Å; I35-Y346 HydrophobicContact CD1-CE1 4.08Å; I35-Y346 HydrophobicContact CD1-CE2 3.28Å; I35-Y346 HydrophobicContact CD1-CG 3.81Å; V71-Y346 HydrophobicContact CG1-CE2 4.08Å; K115-Y346 HydrophobicContact CD-CE2 3.73Å; K115-Y346 VanDerWaalsContact NZ-CD2 3.28Å; H117-Y346 AromaticContact NE2-CE2 3.52Å; H117-Y346 AromaticContact NE2-CZ 3.8Å; H117-Y346 PolarHBondContact NE2-OH 3.48Å; P344-Y346 PolarHBondContact O-N 2.74Å | ||
| 347 | S | 48.1 | Very low | 49.4 | Very low | 58 Ų | 58 | 88.7 Ų | 88.7 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | trans | -57.6 | 143.3 | -175.2 | -32.3 | 0 | 0 | 0 | 0 | 112.9 | K115 T345 | K115-S347 WeakPolarHBondContact CE-O 3.5Å; K115-S347 PolarHBondContact NZ-O 3.1Å; T345-S347 VanDerWaalsContact C-N 3.32Å; T345-S347 PolarHBondContact O-N 3.19Å; T345-S347 PolarHBondContact O-OG 2.76Å | ||
| 348 | P | 40.9 | Very low | 47.9 | Very low | 126 Ų | 126 | 86.2 Ų | 86.2 | 82% | 0.818 | 46% | 0.461 | S | S | * | . | trans | -55.6 | 155.4 | 172.6 | -26.6 | 35.4 | 0 | 0 | 0 | 113.5 | ||||
| 349 | A | 46.9 | Very low | 46.9 | Very low | 28 Ų | 28 | 80.3 Ų | 80.3 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | trans | -134.2 | 147.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T114 K115 | T114-A349 WeakPolarHBondContact CG2-O 3.5Å; K115-A349 HydrophobicContact CG-CB 4.23Å | ||
| 350 | A | 42.1 | Very low | 45.6 | Very low | 78 Ų | 78 | 82 Ų | 82 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 144.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P352 | A350-P352 WeakPolarHBondContact O-CD 3.41Š|
| 351 | L | 42.6 | Very low | 44.1 | Very low | 133 Ų | 133 | 82.8 Ų | 82.8 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 122.2 | 169.4 | -77.6 | 163.3 | 0 | 0 | 0 | 109.8 | D113 T114 | D113-L351 HydrophobicContact CB-CD2 3.81Å; T114-L351 HydrophobicContact CG2-CD2 3.73Å; T114-L351 HydrophobicContact CG2-CG 3.99Å |
| 352 | P | 41.5 | Very low | 42.4 | Very low | 21 Ų | 21 | 77.5 Ų | 77.5 | 14% | 0.136 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 133.7 | 179 | -4.3 | 22.8 | 0 | 0 | 0 | 110.3 | K74 A75 A350 N354 C355 | K74-P352 HydrophobicContact CB-CG 3.96Å; A75-P352 HydrophobicContact CB-CB 4.03Å; A75-P352 HydrophobicContact CB-CG 3.88Å; A350-P352 WeakPolarHBondContact O-CD 3.41Å; P352-N354 PolarHBondContact O-N 3.35Å; P352-C355 HydrophobicContact CB-CB 3.87Å; P352-C355 HydrophobicContact CG-CB 3.95Å; P352-C355 VanDerWaalsContact CG-SG 3.58Å |
| 353 | Q | 38.3 | Very low | 40.8 | Very low | 184 Ų | 184 | 74.1 Ų | 74.1 | 86% | 0.86 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 132.6 | 174.7 | -70.9 | 173.1 | -34.4 | 0 | 0 | 110.5 | C355 | Q353-C355 PolarHBondContact O-N 3.35Š|
| 354 | N | 40.8 | Very low | 40.1 | Very low | 111 Ų | 111 | 68.8 Ų | 68.8 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 30.3 | -179.6 | -70.4 | -51.4 | 0 | 0 | 0 | 116.5 | K18 P352 D356 | K18-N354 PolarHBondContact NZ-OD1 2.6Å; P352-N354 PolarHBondContact O-N 3.35Å; N354-D356 PolarHBondContact O-N 3.29Å |
| 355 | C | 36 | Very low | 38.9 | Very low | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.027 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -72.9 | -25.7 | -175.9 | -136.1 | 0 | 0 | 0 | 0 | 115.5 | P352 Q353 R357 I358 F359 | P352-C355 HydrophobicContact CB-CB 3.87Å; P352-C355 HydrophobicContact CG-CB 3.95Å; P352-C355 VanDerWaalsContact CG-SG 3.58Å; Q353-C355 PolarHBondContact O-N 3.35Å; C355-R357 PolarHBondContact O-N 2.96Å; C355-I358 PolarHBondContact O-N 2.95Å; C355-I358 VanDerWaalsContact O-N 3.07Å; C355-F359 VanDerWaalsContact SG-CD2 3.55Å; C355-F359 WeakPolarHBondContact SG-CE2 3.02Å |
| 356 | D | 37.2 | Very low | 37.6 | Very low | 91 Ų | 91 | 63 Ų | 63 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -70.3 | -1.6 | -165.6 | -48.6 | -76.3 | 0 | 0 | 0 | 115.4 | N354 Q360 | N354-D356 PolarHBondContact O-N 3.29Å; D356-Q360 WeakPolarHBondContact O-CG 3.46Å; D356-Q360 PolarHBondContact O-NE2 3.27Å |
| 357 | R | 35.1 | Very low | 36.6 | Very low | 129 Ų | 129 | 61.2 Ų | 61.2 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -101.4 | -15.6 | 173.6 | -102.5 | -173.7 | 166.1 | 171.4 | -0.3 | 114.6 | V17 C355 | V17-R357 PolarHBondContact O-NH2 3.13Å; C355-R357 PolarHBondContact O-N 2.96Å |
| 358 | I | 32.5 | Very low | 35.8 | Very low | 90 Ų | 90 | 60.7 Ų | 60.7 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -21.7 | -167.2 | -65.2 | 168.1 | 0 | 0 | 0 | 112.7 | V78 C355 | V78-I358 HydrophobicContact CG2-CB 3.63Å; V78-I358 HydrophobicContact CG2-CD1 3.57Å; V78-I358 HydrophobicContact CG2-CG1 4.16Å; V78-I358 HydrophobicContact CG2-CG2 3.58Å; C355-I358 PolarHBondContact O-N 2.95Å; C355-I358 VanDerWaalsContact O-N 3.07Å |
| 359 | F | 33.2 | Very low | 35.4 | Very low | 15 Ų | 15 | 57.3 Ų | 57.3 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -110.2 | 20.2 | 174.3 | -58.7 | -58.6 | 0 | 0 | 0 | 114.5 | K74 I77 V78 Q111 L116 C355 G361 Y362 | K74-F359 HydrophobicContact CB-CD2 3.94Å; K74-F359 HydrophobicContact CB-CE2 3.8Å; K74-F359 HydrophobicContact CD-CD2 3.88Å; K74-F359 HydrophobicContact CG-CD2 3.61Å; K74-F359 HydrophobicContact CG-CE2 3.94Å; K74-F359 HydrophobicContact CG-CG 4.27Å; I77-F359 HydrophobicContact CB-CE1 4.05Å; I77-F359 HydrophobicContact CB-CZ 3.57Å; I77-F359 HydrophobicContact CD1-CE1 4.5Å; I77-F359 HydrophobicContact CD1-CZ 4.49Å; I77-F359 HydrophobicContact CG2-CE1 3.6Å; I77-F359 HydrophobicContact CG2-CZ 3.58Å; V78-F359 HydrophobicContact CB-CE2 3.84Å; V78-F359 HydrophobicContact CB-CZ 4.06Å; V78-F359 HydrophobicContact CG2-CD2 4.47Å; V78-F359 HydrophobicContact CG2-CE2 3.6Å; V78-F359 HydrophobicContact CG2-CZ 3.92Å; Q111-F359 PolarHBondContact NE2-O 3.03Å; Q111-F359 PolarHBondContact OE1-O 3.33Å; L116-F359 HydrophobicContact CD1-CD1 3.81Å; L116-F359 HydrophobicContact CD1-CE1 4.09Å; L116-F359 HydrophobicContact CD1-CG 4.31Å; L116-F359 HydrophobicContact CD2-CB 4.2Å; L116-F359 HydrophobicContact CD2-CD1 4.48Å; L116-F359 HydrophobicContact CD2-CG 4.24Å; C355-F359 VanDerWaalsContact SG-CD2 3.55Å; C355-F359 WeakPolarHBondContact SG-CE2 3.02Å; F359-G361 PolarHBondContact O-N 2.88Å; F359-G361 VanDerWaalsContact O-N 3.15Å; F359-Y362 PolarHBondContact O-N 3.19Å |
| 360 | Q | 31.2 | Very low | 34.7 | Very low | 64 Ų | 64 | 57.8 Ų | 57.8 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 113.8 | 170.8 | -64.6 | -172.2 | 2.6 | 0 | 0 | 109.4 | H19 L21 D356 | H19-Q360 PolarHBondContact O-NE2 3.36Å; L21-Q360 HydrophobicContact CB-CB 4.2Å; L21-Q360 HydrophobicContact CB-CG 4.21Å; D356-Q360 WeakPolarHBondContact O-CG 3.46Å; D356-Q360 PolarHBondContact O-NE2 3.27Å |
| 361 | G | 33.5 | Very low | 34.1 | Very low | 44 Ų | 44 | 61.7 Ų | 61.7 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.2 | -15.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | F359 S363 | F359-G361 PolarHBondContact O-N 2.88Å; F359-G361 VanDerWaalsContact O-N 3.15Å; G361-S363 PolarHBondContact O-N 3.33Å |
| 362 | Y | 31 | Very low | 33.4 | Very low | 42 Ų | 42 | 61.1 Ų | 61.1 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | trans | -67.3 | 14 | -175.1 | -148.5 | -90.4 | 0 | 0 | 0 | 115.9 | L116 L118 F359 | L116-Y362 HydrophobicContact CB-CD1 3.69Å; L116-Y362 HydrophobicContact CB-CE1 3.59Å; L116-Y362 HydrophobicContact CD1-CD1 3.66Å; L116-Y362 HydrophobicContact CD1-CD2 3.96Å; L116-Y362 HydrophobicContact CD1-CE1 3.62Å; L116-Y362 HydrophobicContact CD1-CE2 3.91Å; L116-Y362 HydrophobicContact CD1-CG 3.83Å; L116-Y362 HydrophobicContact CD2-CD1 3.81Å; L116-Y362 HydrophobicContact CD2-CE1 4.47Å; L116-Y362 HydrophobicContact CD2-CG 4.03Å; L116-Y362 HydrophobicContact CG-CD1 3.9Å; L116-Y362 HydrophobicContact CG-CE1 4.07Å; L116-Y362 HydrophobicContact CG-CG 4.37Å; L118-Y362 HydrophobicContact CD2-CE1 3.73Å; L118-Y362 HydrophobicContact CG-CE1 4.32Å; F359-Y362 PolarHBondContact O-N 3.19Å | ||
| 363 | S | 28.3 | Very low | 32.8 | Very low | 10 Ų | 10 | 68.6 Ų | 68.6 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | trans | -101.7 | 119.3 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 108.5 | N23 A24 A109 G361 | N23-S363 PolarHBondContact OD1-OG 2.87Å; A24-S363 CarbonylContact C-O 3.55Å; A24-S363 VanDerWaalsContact C-O 3.28Å; A24-S363 CarbonylContact O-C 3.43Å; A24-S363 WeakPolarHBondContact O-CB 3.25Å; A109-S363 CarbonylContact O-C 3.56Å; A109-S363 WeakPolarHBondContact O-CA 3.47Å; G361-S363 PolarHBondContact O-N 3.33Å | ||
| 364 | F | 37.2 | Very low | 32.2 | Very low | 14 Ų | 14 | 65.5 Ų | 65.5 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.8 | -172.7 | 161.1 | -91.6 | 0 | 0 | 0 | 109.7 | L26 L94 L106 Y108 A109 A366 | L26-F364 HydrophobicContact CD1-CD2 4.09Å; L26-F364 HydrophobicContact CD1-CE2 4.31Å; L94-F364 HydrophobicContact CD1-CD2 4.05Å; L94-F364 HydrophobicContact CD1-CE1 4.19Å; L94-F364 HydrophobicContact CD1-CE2 3.53Å; L94-F364 HydrophobicContact CD1-CZ 3.6Å; L106-F364 HydrophobicContact CB-CE1 4.38Å; L106-F364 HydrophobicContact CD2-CD1 3.6Å; L106-F364 HydrophobicContact CD2-CE1 3.67Å; L106-F364 HydrophobicContact CG-CD1 3.99Å; L106-F364 HydrophobicContact CG-CE1 3.82Å; Y108-F364 CarbonylContact C-O 3.49Å; A109-F364 HydrophobicContact CB-CB 4Å; A109-F364 HydrophobicContact CB-CD1 4.48Å; A109-F364 PolarHBondContact N-O 3.26Å; A109-F364 PolarHBondContact O-N 2.95Å; F364-A366 HydrophobicContact CE1-CB 3.71Å; F364-A366 HydrophobicContact CZ-CB 3.6Å |
| 365 | M | 32.6 | Very low | 31.6 | Very low | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 135.7 | 165.9 | -71 | -145.7 | -101.9 | 0 | 0 | 109.9 | N25 L26 T27 E31 V33 H107 Y108 | N25-M365 WeakPolarHBondContact ND2-CE 3.39Å; N25-M365 WeakPolarHBondContact OD1-CB 3.47Å; N25-M365 WeakPolarHBondContact OD1-CE 3.39Å; N25-M365 VanDerWaalsContact OD1-CG 3.3Å; N25-M365 WeakPolarHBondContact OD1-CG 3.5Å; L26-M365 CarbonylContact C-O 3.58Å; L26-M365 VanDerWaalsContact CA-O 3.28Å; L26-M365 WeakPolarHBondContact CA-O 3.45Å; L26-M365 WeakPolarHBondContact CB-O 3.29Å; T27-M365 HydrophobicContact CG2-CB 3.56Å; T27-M365 PolarHBondContact N-O 3.23Å; T27-M365 VanDerWaalsContact N-O 3.14Å; T27-M365 WeakPolarHBondContact OG1-CB 3.45Å; T27-M365 WeakPolarHBondContact OG1-CE 3.1Å; T27-M365 PolarHBondContact OG1-SD 3.49Å; E31-M365 WeakPolarHBondContact O-CE 3.48Å; V33-M365 HydrophobicContact CB-CE 3.77Å; V33-M365 HydrophobicContact CB-SD 3.75Å; V33-M365 HydrophobicContact CG1-SD 4.27Å; V33-M365 HydrophobicContact CG2-CE 3.47Å; V33-M365 VanDerWaalsContact CG2-CE 3.47Å; V33-M365 HydrophobicContact CG2-SD 3.54Å; V33-M365 VanDerWaalsContact CG2-SD 3.54Å; H107-M365 CarbonylContact O-C 3.58Å; H107-M365 WeakPolarHBondContact O-CA 3.37Å; Y108-M365 HydrophobicContact CD1-CB 3.88Å; Y108-M365 HydrophobicContact CD1-CG 3.57Å; Y108-M365 HydrophobicContact CD1-SD 3.17Å; Y108-M365 WeakPolarHBondContact CD1-SD 3.34Å; Y108-M365 HydrophobicContact CE1-CG 4.48Å; Y108-M365 HydrophobicContact CE1-SD 3.67Å; Y108-M365 HydrophobicContact CG-CG 4.23Å; Y108-M365 HydrophobicContact CG-SD 3.93Å |
| 366 | A | 29.3 | Very low | 31.2 | Very low | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | trans | -87 | 120.7 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T27 R98 L106 H107 F364 S368 | T27-A366 WeakPolarHBondContact CG2-O 3.4Å; R98-A366 VanDerWaalsContact NH1-CB 3.25Å; L106-A366 WeakPolarHBondContact O-CB 3.32Å; H107-A366 WeakPolarHBondContact O-CB 3.43Å; H107-A366 PolarHBondContact O-N 2.86Å; F364-A366 HydrophobicContact CE1-CB 3.71Å; F364-A366 HydrophobicContact CZ-CB 3.6Å; A366-S368 PolarHBondContact O-N 3.42Å; A366-S368 VanDerWaalsContact O-N 3.09Å | ||
| 367 | P | 29.8 | Very low | 30.6 | Very low | 36 Ų | 36 | 74 Ų | 74 | 23% | 0.234 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -56.3 | -33.1 | -164.2 | -31.2 | 35.8 | 0 | 0 | 0 | 118.8 | I369 L370 | P367-I369 PolarHBondContact O-N 2.75Å; P367-L370 PolarHBondContact O-N 3.13Å |
| 368 | S | 32.7 | Very low | 30.1 | Very low | 47 Ų | 47 | 75.2 Ų | 75.2 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -73.4 | 4.2 | -161.3 | 93.3 | 0 | 0 | 0 | 0 | 117 | R98 A366 L370 | R98-S368 PolarHBondContact NH1-OG 3.49Å; R98-S368 PolarHBondContact NH2-OG 3.47Å; A366-S368 PolarHBondContact O-N 3.42Å; A366-S368 VanDerWaalsContact O-N 3.09Å; S368-L370 VanDerWaalsContact C-N 3.29Å |
| 369 | I | 32.8 | Very low | 29.8 | Very low | 55 Ų | 55 | 77.7 Ų | 77.7 | 28% | 0.282 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -74.6 | -26.5 | 170.8 | -43.6 | -178.6 | 0 | 0 | 0 | 110 | H61 Y108 P367 | H61-I369 WeakPolarHBondContact NE2-CG2 3.45Å; Y108-I369 HydrophobicContact CE1-CD1 4.14Å; Y108-I369 WeakPolarHBondContact OH-CD1 3.41Å; P367-I369 PolarHBondContact O-N 2.75Å |
| 370 | L | 30.6 | Very low | 29.6 | Very low | 39 Ų | 39 | 82.3 Ų | 82.3 | 20% | 0.204 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -37.8 | -179.9 | -62.5 | -160 | 0 | 0 | 0 | 114.7 | T27 H29 P367 S368 | T27-L370 VanDerWaalsContact O-CD1 3.22Å; T27-L370 WeakPolarHBondContact O-CD1 2.93Å; H29-L370 WeakPolarHBondContact CE1-CD2 3.43Å; H29-L370 VanDerWaalsContact NE2-CD2 3.31Å; H29-L370 WeakPolarHBondContact NE2-CD2 2.99Å; P367-L370 PolarHBondContact O-N 3.13Å; S368-L370 VanDerWaalsContact C-N 3.29Å |
| 371 | F | 29.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 86.2 Ų | 86.2 | 70% | 0.697 | 46% | 0.457 | S | S | * | . | trans | -129.4 | 35.8 | -160.2 | -62.5 | -63.8 | 0 | 0 | 0 | 114.5 | R373 | F371-R373 PolarHBondContact O-N 2.8Š| ||
| 372 | K | 27.5 | Very low | 29 | Very low | 122 Ų | 122 | 93.2 Ų | 93.2 | 53% | 0.53 | 48% | 0.478 | S | S | . | . | trans | -80.8 | 104.8 | 175.1 | -135.2 | -169.8 | -178.9 | -147.2 | 0 | 111.4 | N374 V375 | K372-N374 WeakPolarHBondContact CE-O 3.38Å; K372-N374 PolarHBondContact NZ-O 3.08Å; K372-V375 HydrophobicContact CD-CG2 4.38Å | ||
| 373 | R | 28.9 | Very low | 28.7 | Very low | 177 Ų | 177 | 99.5 Ų | 99.5 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | trans | -70.2 | -18.5 | 165.9 | -168.6 | 168.4 | 180 | 153.1 | -2.2 | 112.5 | F371 | F371-R373 PolarHBondContact O-N 2.8Š| ||
| 374 | N | 27.4 | Very low | 28.6 | Very low | 119 Ų | 119 | 105.4 Ų | 105.4 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | trans | -111.8 | 78 | -171 | -64 | 14.9 | 0 | 0 | 0 | 113.1 | K372 | K372-N374 WeakPolarHBondContact CE-O 3.38Å; K372-N374 PolarHBondContact NZ-O 3.08Å | ||
| 375 | V | 28.4 | Very low | 27.9 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 67% | 0.673 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -145.5 | 114.8 | 137.4 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | K372 | K372-V375 HydrophobicContact CD-CG2 4.38Š|
| 376 | V | 27.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 78% | 0.782 | 63% | 0.63 | S | S | * | * | trans | 57.6 | 99.4 | -171.4 | -169.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 377 | M | 23.3 | Very low | 27.9 | Very low | 145 Ų | 145 | 118 Ų | 118 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -123.6 | 106.3 | 140.2 | -92.6 | -173.9 | 147.9 | 0 | 0 | 106.8 | ||||
| 378 | D | 24.4 | Very low | 27.8 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | trans | -110.2 | 164.4 | 147.3 | -93.2 | -49.6 | 0 | 0 | 0 | 107.1 | ||||
| 379 | D | 26 | Very low | 27.6 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | -67.5 | 147.9 | -156.3 | -112.4 | -43.5 | 0 | 0 | 0 | 116.2 | I381 | D379-I381 PolarHBondContact O-N 3.39Š| ||
| 380 | P | 29.1 | Very low | 27.3 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -71.8 | -1.6 | 177.1 | -18.8 | 33.4 | 0 | 0 | 0 | 116.1 | ||
| 381 | I | 28.1 | Very low | 27.2 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -115.6 | 56.9 | -164.7 | -42.2 | -175.9 | 0 | 0 | 0 | 112.6 | D379 | D379-I381 PolarHBondContact O-N 3.39Š| ||
| 382 | Q | 24.3 | Very low | 27.4 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -154.9 | 55.8 | 161.7 | -126.9 | 167.3 | 64.1 | 0 | 0 | 115 | C384 | Q382-C384 PolarHBondContact O-N 3.05Å; Q382-C384 VanDerWaalsContact O-N 3.17Å | ||
| 383 | L | 25.2 | Very low | 27.4 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -83.7 | 79.4 | 173.7 | -97.1 | 168.9 | 0 | 0 | 0 | 112.8 | ||||
| 384 | C | 25.7 | Very low | 27.5 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 91% | 0.905 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -157 | 89.5 | 160.6 | -101.4 | 0 | 0 | 0 | 0 | 113.4 | Q382 | Q382-C384 PolarHBondContact O-N 3.05Å; Q382-C384 VanDerWaalsContact O-N 3.17Å |
| 385 | G | 23.5 | Very low | 27.7 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 109.2 | 142.6 | 164 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 386 | G | 24 | Very low | 27.8 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | trans | 104.7 | 47 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | E388 | G386-E388 PolarHBondContact O-N 3.28Š| ||
| 387 | S | 36.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | 11.6 | 94 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 388 | E | 28.1 | Very low | 28.6 | Very low | 191 Ų | 191 | 118.6 Ų | 118.6 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | -140 | 162.2 | 136.6 | -78.1 | -145.8 | 141.8 | 0 | 0 | 109.9 | G386 | G386-E388 PolarHBondContact O-N 3.28Š| ||
| 389 | R | 28.5 | Very low | 28.9 | Very low | 243 Ų | 243 | 113.3 Ų | 113.3 | 92% | 0.917 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 134.9 | -174.1 | -71.5 | -178.5 | 176.2 | 174.7 | -0.9 | 112.1 | ||
| 390 | P | 26.2 | Very low | 29.5 | Very low | 106 Ų | 106 | 111.7 Ų | 111.7 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 141 | 176.6 | 28.5 | -34.8 | 0 | 0 | 0 | 112.3 | ||
| 391 | G | 29.2 | Very low | 30.3 | Very low | 50 Ų | 50 | 110.9 Ų | 110.9 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 146.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | A393 A394 | G391-A393 VanDerWaalsContact C-N 3.25Å; G391-A393 PolarHBondContact O-N 3.22Å; G391-A394 WeakPolarHBondContact O-CB 3.32Å; G391-A394 PolarHBondContact O-N 2.76Å |
| 392 | S | 34.8 | Very low | 31.1 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -51.6 | -36 | -173.4 | -170.8 | 0 | 0 | 0 | 0 | 114.6 | A394 V395 A396 | S392-A394 VanDerWaalsContact C-N 3.26Å; S392-A394 PolarHBondContact O-N 3.02Å; S392-V395 PolarHBondContact O-N 2.68Å; S392-V395 VanDerWaalsContact O-N 3.11Å; S392-A396 WeakPolarHBondContact O-CB 3.48Å; S392-A396 PolarHBondContact O-N 2.88Å |
| 393 | A | 27.7 | Very low | 32.4 | Very low | 67 Ų | 67 | 107.5 Ų | 107.5 | 55% | 0.554 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.6 | -15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G391 R397 | G391-A393 VanDerWaalsContact C-N 3.25Å; G391-A393 PolarHBondContact O-N 3.22Å; A393-R397 WeakPolarHBondContact O-CG 3.37Å; A393-R397 PolarHBondContact O-NE 3.19Å |
| 394 | A | 30.3 | Very low | 34.5 | Very low | 50 Ų | 50 | 99.6 Ų | 99.6 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80.9 | -43.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | G391 S392 R397 S398 | G391-A394 WeakPolarHBondContact O-CB 3.32Å; G391-A394 PolarHBondContact O-N 2.76Å; S392-A394 VanDerWaalsContact C-N 3.26Å; S392-A394 PolarHBondContact O-N 3.02Å; A394-R397 PolarHBondContact O-N 3.23Å; A394-S398 PolarHBondContact O-N 3.25Å |
| 395 | V | 31.4 | Very low | 37 | Very low | 86 Ų | 86 | 96.2 Ų | 96.2 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.7 | -46.2 | 177.7 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | S392 R397 S398 A399 | S392-V395 PolarHBondContact O-N 2.68Å; S392-V395 VanDerWaalsContact O-N 3.11Å; V395-R397 PolarHBondContact O-N 3.28Å; V395-S398 PolarHBondContact O-N 2.9Å; V395-A399 PolarHBondContact O-N 3.44Å |
| 396 | A | 30.6 | Very low | 39.9 | Very low | 46 Ų | 46 | 92.1 Ų | 92.1 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S392 A399 M400 | S392-A396 WeakPolarHBondContact O-CB 3.48Å; S392-A396 PolarHBondContact O-N 2.88Å; A396-A399 PolarHBondContact O-N 3.38Å; A396-M400 WeakPolarHBondContact O-CG 3.43Å; A396-M400 PolarHBondContact O-N 3.27Å |
| 397 | R | 34.6 | Very low | 42.6 | Very low | 149 Ų | 149 | 90.6 Ų | 90.6 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -38.3 | 175.3 | -75.6 | -178.3 | -71.1 | 169.5 | 1.4 | 112.1 | A393 A394 V395 A399 M401 | A393-R397 WeakPolarHBondContact O-CG 3.37Å; A393-R397 PolarHBondContact O-NE 3.19Å; A394-R397 PolarHBondContact O-N 3.23Å; V395-R397 PolarHBondContact O-N 3.28Å; R397-A399 VanDerWaalsContact C-N 3.32Å; R397-A399 PolarHBondContact O-N 2.8Å; R397-M401 PolarHBondContact O-N 2.63Å |
| 398 | S | 31.8 | Very low | 44.8 | Very low | 64 Ų | 64 | 90.7 Ų | 90.7 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -28.4 | 174.7 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | A394 V395 K402 | A394-S398 PolarHBondContact O-N 3.25Å; V395-S398 PolarHBondContact O-N 2.9Å; S398-K402 WeakPolarHBondContact O-CD 3.42Å; S398-K402 WeakPolarHBondContact O-CG 3.46Å |
| 399 | A | 31.9 | Very low | 47.4 | Very low | 43 Ų | 43 | 84.1 Ų | 84.1 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75.3 | -50.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | V395 A396 R397 M401 K402 D403 | V395-A399 PolarHBondContact O-N 3.44Å; A396-A399 PolarHBondContact O-N 3.38Å; R397-A399 VanDerWaalsContact C-N 3.32Å; R397-A399 PolarHBondContact O-N 2.8Å; A399-M401 PolarHBondContact O-N 3.2Å; A399-M401 VanDerWaalsContact O-N 3.14Å; A399-K402 WeakPolarHBondContact O-CB 3.3Å; A399-K402 PolarHBondContact O-N 2.81Å; A399-D403 PolarHBondContact O-N 2.92Å |
| 400 | M | 38.5 | Very low | 50.2 | Low | 109 Ų | 109 | 72.7 Ų | 72.7 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.1 | -27 | -179.2 | -67.9 | 178.3 | 76.9 | 0 | 0 | 113.5 | A396 L479 | A396-M400 WeakPolarHBondContact O-CG 3.43Å; A396-M400 PolarHBondContact O-N 3.27Å; M400-L479 HydrophobicContact CE-CD1 3.98Å |
| 401 | M | 45.4 | Very low | 52.9 | Low | 96 Ų | 96 | 73.6 Ų | 73.6 | 47% | 0.473 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.8 | 172.3 | -75.3 | -178.5 | 162.2 | 0 | 0 | 114.5 | R397 A399 Y407 | R397-M401 PolarHBondContact O-N 2.63Å; A399-M401 PolarHBondContact O-N 3.2Å; A399-M401 VanDerWaalsContact O-N 3.14Å; M401-Y407 WeakPolarHBondContact O-CB 3.22Å |
| 402 | K | 44.6 | Very low | 55.3 | Low | 136 Ų | 136 | 72.1 Ų | 72.1 | 59% | 0.591 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -32.5 | 175.7 | -74.7 | 172 | 178.9 | 176.2 | 0 | 113 | S398 A399 | S398-K402 WeakPolarHBondContact O-CD 3.42Å; S398-K402 WeakPolarHBondContact O-CG 3.46Å; A399-K402 WeakPolarHBondContact O-CB 3.3Å; A399-K402 PolarHBondContact O-N 2.81Å |
| 403 | D | 52.5 | Low | 57.1 | Low | 130 Ų | 130 | 69 Ų | 69 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -90.2 | -7.3 | -173.6 | -57.3 | -28.3 | 0 | 0 | 0 | 113.9 | A399 | A399-D403 PolarHBondContact O-N 2.92Š|
| 404 | S | 69.1 | Low | 58.7 | Low | 6 Ų | 6 | 70.1 Ų | 70.1 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -82.5 | 123.5 | 179.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | F406 Y407 M408 D477 | S404-F406 PolarHBondContact O-N 2.88Å; S404-F406 VanDerWaalsContact O-N 3.11Å; S404-Y407 PolarHBondContact O-N 3.31Å; S404-M408 PolarHBondContact O-N 2.77Å; S404-D477 WeakPolarHBondContact OG-CB 3.4Å; S404-D477 PolarHBondContact OG-OD2 3.41Å |
| 405 | P | 78.6 | Confident | 59.8 | Low | 63 Ų | 63 | 76.7 Ų | 76.7 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54.7 | -33.2 | -175.8 | -31.3 | 38 | 0 | 0 | 0 | 115.1 | M408 Y475 | P405-M408 PolarHBondContact O-N 3.25Å; P405-Y475 HydrophobicContact CB-CD1 3.89Å; P405-Y475 HydrophobicContact CB-CE1 4.46Å |
| 406 | F | 84.4 | Confident | 61 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 173.5 | 173.4 | -99.5 | 0 | 0 | 0 | 111.2 | S404 M408 N409 Y410 M412 C430 V441 Y475 F482 V484 | S404-F406 PolarHBondContact O-N 2.88Å; S404-F406 VanDerWaalsContact O-N 3.11Å; F406-M408 PolarHBondContact O-N 3.42Å; F406-N409 PolarHBondContact O-N 3.01Å; F406-Y410 HydrophobicContact CD2-CD2 4.12Å; F406-Y410 HydrophobicContact CD2-CG 4.22Å; F406-Y410 HydrophobicContact CE2-CD1 4.26Å; F406-Y410 AromaticContact CE2-CD2 3.99Å; F406-Y410 HydrophobicContact CE2-CD2 3.99Å; F406-Y410 AromaticContact CE2-CG 3.67Å; F406-Y410 HydrophobicContact CE2-CG 3.67Å; F406-Y410 VanDerWaalsContact CZ-CB 3.5Å; F406-Y410 HydrophobicContact CZ-CG 4.07Å; F406-Y410 WeakPolarHBondContact O-CB 3.29Å; F406-Y410 PolarHBondContact O-N 2.8Å; F406-M412 HydrophobicContact CD1-CE 4.31Å; F406-M412 HydrophobicContact CE1-CB 4.48Å; F406-M412 HydrophobicContact CE1-CE 3.58Å; F406-M412 HydrophobicContact CZ-CE 4.28Å; F406-C430 HydrophobicContact CZ-CB 4.01Å; F406-V441 HydrophobicContact CE2-CB 4.2Å; F406-V441 HydrophobicContact CE2-CG2 3.78Å; F406-V441 HydrophobicContact CZ-CB 4.12Å; F406-V441 HydrophobicContact CZ-CG1 4.02Å; F406-V441 HydrophobicContact CZ-CG2 3.94Å; F406-Y475 HydrophobicContact CB-CD1 4.45Å; F406-Y475 HydrophobicContact CB-CD2 4.45Å; F406-Y475 HydrophobicContact CB-CG 3.98Å; F406-Y475 AromaticContact CD2-CD2 3.94Å; F406-Y475 HydrophobicContact CD2-CD2 3.94Å; F406-Y475 HydrophobicContact CD2-CG 4.31Å; F406-F482 HydrophobicContact CB-CD1 4.28Å; F406-F482 HydrophobicContact CB-CD2 3.81Å; F406-F482 HydrophobicContact CB-CE1 4.43Å; F406-F482 HydrophobicContact CB-CE2 3.97Å; F406-F482 HydrophobicContact CB-CG 3.98Å; F406-F482 HydrophobicContact CB-CZ 4.3Å; F406-F482 AromaticContact CD1-CD1 3.84Å; F406-F482 HydrophobicContact CD1-CD1 3.84Å; F406-F482 AromaticContact CD1-CE1 3.84Å; F406-F482 HydrophobicContact CD1-CE1 3.84Å; F406-F482 HydrophobicContact CD1-CG 4.36Å; F406-F482 HydrophobicContact CD1-CZ 4.35Å; F406-F482 HydrophobicContact CD2-CB 3.93Å; F406-F482 HydrophobicContact CD2-CD1 4.11Å; F406-F482 HydrophobicContact CD2-CG 4.01Å; F406-F482 HydrophobicContact CE1-CD1 4.24Å; F406-F482 HydrophobicContact CE1-CE1 4.38Å; F406-F482 HydrophobicContact CE2-CB 4.47Å; F406-F482 HydrophobicContact CE2-CD1 4.47Å; F406-F482 HydrophobicContact CG-CB 4.26Å; F406-F482 AromaticContact CG-CD1 3.78Å; F406-F482 HydrophobicContact CG-CD1 3.78Å; F406-F482 HydrophobicContact CG-CD2 4.18Å; F406-F482 HydrophobicContact CG-CE1 4.11Å; F406-F482 HydrophobicContact CG-CE2 4.48Å; F406-F482 AromaticContact CG-CG 3.83Å; F406-F482 HydrophobicContact CG-CG 3.83Å; F406-F482 HydrophobicContact CG-CZ 4.46Å; F406-V484 HydrophobicContact CD2-CG2 4.27Å; F406-V484 HydrophobicContact CE2-CG2 3.95Å |
| 407 | Y | 79.9 | Confident | 62.1 | Low | 47 Ų | 47 | 79.1 Ų | 79.1 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.4 | -10.6 | -176.8 | -70.4 | -86.2 | 0 | 0 | 0 | 113.4 | M401 S404 Y410 M412 K433 F482 | M401-Y407 WeakPolarHBondContact O-CB 3.22Å; S404-Y407 PolarHBondContact O-N 3.31Å; Y407-Y410 WeakPolarHBondContact CA-O 3.49Å; Y407-M412 HydrophobicContact CE1-CB 4.16Å; Y407-M412 HydrophobicContact CE1-CE 4Å; Y407-M412 WeakPolarHBondContact OH-CE 3.33Å; Y407-K433 PolarHBondContact O-NZ 3.06Å; Y407-F482 HydrophobicContact CE2-CE1 4.21Å; Y407-F482 HydrophobicContact CE2-CZ 4.05Å |
| 408 | M | 82.9 | Confident | 63.4 | Low | 123 Ų | 123 | 73 Ų | 73 | 61% | 0.606 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.2 | -43.6 | 167.9 | -57.7 | -143.5 | 86.7 | 0 | 0 | 111.3 | S404 P405 F406 K433 | S404-M408 PolarHBondContact O-N 2.77Å; P405-M408 PolarHBondContact O-N 3.25Å; F406-M408 PolarHBondContact O-N 3.42Å; M408-K433 WeakPolarHBondContact O-CD 3.37Å |
| 409 | N | 83.4 | Confident | 64.9 | Low | 54 Ų | 54 | 74.5 Ų | 74.5 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -95 | -25.5 | -175.3 | -67.7 | -11.3 | 0 | 0 | 0 | 113.5 | F406 H432 K433 Y475 | F406-N409 PolarHBondContact O-N 3.01Å; N409-H432 PolarHBondContact O-CD2 2.85Å; N409-K433 WeakPolarHBondContact O-CB 3.36Å; N409-K433 PolarHBondContact O-N 3.2Å; N409-Y475 PolarHBondContact ND2-OH 2.75Å |
| 410 | Y | 86.1 | Confident | 66 | Low | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.6 | -176.2 | -71 | -98.7 | 0 | 0 | 0 | 112.6 | F406 Y407 C430 T431 H432 K433 Y439 E473 Y475 V484 | F406-Y410 HydrophobicContact CD2-CD2 4.12Å; F406-Y410 HydrophobicContact CD2-CG 4.22Å; F406-Y410 HydrophobicContact CE2-CD1 4.26Å; F406-Y410 AromaticContact CE2-CD2 3.99Å; F406-Y410 HydrophobicContact CE2-CD2 3.99Å; F406-Y410 AromaticContact CE2-CG 3.67Å; F406-Y410 HydrophobicContact CE2-CG 3.67Å; F406-Y410 VanDerWaalsContact CZ-CB 3.5Å; F406-Y410 HydrophobicContact CZ-CG 4.07Å; F406-Y410 WeakPolarHBondContact O-CB 3.29Å; F406-Y410 PolarHBondContact O-N 2.8Å; Y407-Y410 WeakPolarHBondContact CA-O 3.49Å; Y410-C430 HydrophobicContact CD1-CB 4.27Å; Y410-T431 CarbonylContact C-O 3.58Å; Y410-T431 WeakPolarHBondContact CA-O 3.47Å; Y410-H432 HydrophobicContact CD1-CB 4.07Å; Y410-H432 HydrophobicContact CE1-CB 3.66Å; Y410-H432 AromaticContact CE2-CD2 3.76Å; Y410-H432 AromaticContact CZ-CD2 3.78Å; Y410-K433 VanDerWaalsContact O-CE 3.25Å; Y410-K433 WeakPolarHBondContact O-CE 3.19Å; Y410-K433 PolarHBondContact O-NZ 2.9Å; Y410-Y439 HydrophobicContact CD1-CD2 4.49Å; Y410-Y439 AromaticContact CE1-CD2 3.58Å; Y410-Y439 HydrophobicContact CE1-CD2 3.58Å; Y410-Y439 HydrophobicContact CE1-CE2 4.01Å; Y410-Y439 HydrophobicContact CE1-CG 4.16Å; Y410-E473 WeakPolarHBondContact CE2-OE2 3.47Å; Y410-E473 PolarHBondContact OH-OE2 2.83Å; Y410-Y475 HydrophobicContact CD2-CE2 4.01Å; Y410-Y475 AromaticContact CE2-CE2 3.65Å; Y410-Y475 HydrophobicContact CE2-CE2 3.65Å; Y410-V484 HydrophobicContact CE1-CG1 3.78Å; Y410-V484 HydrophobicContact CE1-CG2 4.48Å; Y410-V484 HydrophobicContact CE2-CG2 4.31Å |
| 411 | E | 82.9 | Confident | 66.3 | Low | 125 Ų | 125 | 76.2 Ų | 76.2 | 58% | 0.584 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.5 | 163.8 | -175.1 | 156.2 | -137.5 | 0 | 0 | 108.9 | C430 T431 K433 | E411-C430 CarbonylContact O-C 3.6Å; E411-C430 WeakPolarHBondContact O-CA 3.29Å; E411-C430 WeakPolarHBondContact O-CB 3.34Å; E411-T431 PolarHBondContact N-O 3.18Å; E411-T431 PolarHBondContact O-N 2.75Å; E411-K433 HydrophobicContact CB-CG 4.24Å |
| 412 | M | 78.9 | Confident | 66.1 | Low | 20 Ų | 20 | 73.7 Ų | 73.7 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.1 | -175.6 | -172.5 | -178.6 | -59.3 | 0 | 0 | 110.6 | F406 Y407 L414 R428 V441 I443 F482 | F406-M412 HydrophobicContact CD1-CE 4.31Å; F406-M412 HydrophobicContact CE1-CB 4.48Å; F406-M412 HydrophobicContact CE1-CE 3.58Å; F406-M412 HydrophobicContact CZ-CE 4.28Å; Y407-M412 HydrophobicContact CE1-CB 4.16Å; Y407-M412 HydrophobicContact CE1-CE 4Å; Y407-M412 WeakPolarHBondContact OH-CE 3.33Å; M412-L414 HydrophobicContact CG-CD2 4.23Å; M412-L414 PolarHBondContact O-N 2.98Å; M412-L414 HydrophobicContact SD-CD2 4Å; M412-R428 HydrophobicContact CG-CB 4.4Å; M412-V441 HydrophobicContact CE-CG1 4.4Å; M412-I443 HydrophobicContact CE-CD1 3.42Å; M412-I443 VanDerWaalsContact CE-CD1 3.42Å; M412-I443 HydrophobicContact CE-CG1 4.37Å; M412-I443 HydrophobicContact SD-CD1 3.75Å; M412-F482 HydrophobicContact CE-CE1 4.21Å |
| 413 | D | 72.4 | Confident | 65.7 | Low | 32 Ų | 32 | 71.6 Ų | 71.6 | 17% | 0.171 | 40% | 0.4 | C | S | . | . | trans | -74.7 | 119.9 | 174.3 | -157.3 | -40.2 | 0 | 0 | 0 | 110.7 | Q415 D416 R428 R429 | D413-Q415 PolarHBondContact OD1-N 3.14Å; D413-D416 PolarHBondContact OD1-N 3.15Å; D413-R428 PolarHBondContact O-NH1 2.79Å; D413-R429 HydrophobicContact CB-CB 3.98Å; D413-R429 HydrophobicContact CB-CG 4.49Å; D413-R429 WeakPolarHBondContact CB-O 3.48Å; D413-R429 PolarHBondContact N-O 2.89Å; D413-R429 IonicContact OD2-CZ 3.7Å; D413-R429 VanDerWaalsContact OD2-CZ 3.23Å; D413-R429 IonicContact OD2-NE 3.77Å; D413-R429 PolarHBondContact OD2-NE 2.86Å; D413-R429 IonicContact OD2-NH2 3.56Å; D413-R429 PolarHBondContact OD2-NH2 2.9Å | ||
| 414 | L | 61.6 | Low | 65.3 | Low | 92 Ų | 92 | 70.8 Ų | 70.8 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | trans | -120.6 | 3.4 | 178.4 | -59.9 | 178.5 | 0 | 0 | 0 | 112.3 | M412 | M412-L414 HydrophobicContact CG-CD2 4.23Å; M412-L414 PolarHBondContact O-N 2.98Å; M412-L414 HydrophobicContact SD-CD2 4Å | ||
| 415 | Q | 54.3 | Low | 64.5 | Low | 188 Ų | 188 | 72.1 Ų | 72.1 | 88% | 0.879 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -89.4 | -47.3 | 174.3 | -59.5 | -168.9 | 24.3 | 0 | 0 | 109.7 | D413 | D413-Q415 PolarHBondContact OD1-N 3.14Š|
| 416 | D | 56.6 | Low | 63.6 | Low | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -76.4 | 159.7 | 179.1 | -81.8 | 3.3 | 0 | 0 | 0 | 113 | D413 R428 R429 | D413-D416 PolarHBondContact OD1-N 3.15Å; D416-R428 PolarHBondContact O-NH1 3.2Å; D416-R428 PolarHBondContact O-NH2 2.9Å; D416-R429 IonicContact OD2-CZ 2.69Å; D416-R429 VanDerWaalsContact OD2-CZ 3.28Å; D416-R429 IonicContact OD2-NH1 2.66Å; D416-R429 PolarHBondContact OD2-NH1 2.91Å; D416-R429 IonicContact OD2-NH2 3.28Å; D416-R429 PolarHBondContact OD2-NH2 2.86Å |
| 417 | S | 52.7 | Low | 63.1 | Low | 102 Ų | 102 | 72.9 Ų | 72.9 | 71% | 0.713 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 157.2 | 170.9 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 418 | A | 62.5 | Low | 63.1 | Low | 22 Ų | 22 | 72.7 Ų | 72.7 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 143 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G420 E421 I426 C427 | A418-G420 PolarHBondContact O-N 2.85Å; A418-E421 HydrophobicContact CB-CG 3.79Å; A418-I426 HydrophobicContact CB-CD1 4.03Å; A418-I426 HydrophobicContact CB-CG1 3.97Å; A418-C427 CarbonylContact C-O 3.53Å; A418-C427 WeakPolarHBondContact CA-O 3.37Å |
| 419 | L | 64.3 | Low | 63.1 | Low | 95 Ų | 95 | 70.1 Ų | 70.1 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -71.1 | -17.4 | 173.6 | -58.9 | 178 | 0 | 0 | 0 | 111.8 | C427 R429 A440 L487 | L419-C427 HydrophobicContact CB-CB 4.07Å; L419-C427 PolarHBondContact N-O 3.38Å; L419-R429 HydrophobicContact CD1-CB 4.4Å; L419-A440 HydrophobicContact CD1-CB 3.99Å; L419-L487 HydrophobicContact CD1-CD1 3.73Å |
| 420 | G | 54.2 | Low | 63.3 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | 145.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A418 C427 | A418-G420 PolarHBondContact O-N 2.85Å; G420-C427 PolarHBondContact O-N 3.16Å |
| 421 | E | 45.5 | Very low | 63.5 | Low | 157 Ų | 157 | 69.5 Ų | 69.5 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 105.8 | 179.6 | -65.1 | -167.9 | 168.3 | 0 | 0 | 110.9 | A418 I426 | A418-E421 HydrophobicContact CB-CG 3.79Å; E421-I426 HydrophobicContact CG-CG1 4.37Å |
| 422 | G | 40.5 | Very low | 63.9 | Low | 44 Ų | 44 | 64.9 Ų | 64.9 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 165.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | F424 S425 | G422-F424 PolarHBondContact O-N 3.01Å; G422-S425 WeakPolarHBondContact CA-O 3.33Å; G422-S425 PolarHBondContact N-O 3.44Å |
| 423 | S | 36.7 | Very low | 64.4 | Low | 92 Ų | 92 | 68.9 Ų | 68.9 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.8 | -178 | -58.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 424 | F | 43.2 | Very low | 65.1 | Low | 113 Ų | 113 | 73.5 Ų | 73.5 | 50% | 0.496 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | 9.4 | -176.8 | -52.3 | -72.3 | 0 | 0 | 0 | 113.9 | L26 G422 M448 | L26-F424 HydrophobicContact CD2-CE1 4.13Å; G422-F424 PolarHBondContact O-N 3.01Å; F424-M448 HydrophobicContact CB-CG 3.94Å; F424-M448 HydrophobicContact CB-SD 4.46Å; F424-M448 HydrophobicContact CD2-CE 4.28Å; F424-M448 HydrophobicContact CG-CE 4.49Å; F424-M448 HydrophobicContact CG-CG 4.39Å; F424-M448 HydrophobicContact CG-SD 4.29Å |
| 425 | S | 53.2 | Low | 66.6 | Low | 33 Ų | 33 | 73.5 Ų | 73.5 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 145.2 | -175.2 | 53 | 0 | 0 | 0 | 0 | 111.5 | G422 I443 | G422-S425 WeakPolarHBondContact CA-O 3.33Å; G422-S425 PolarHBondContact N-O 3.44Å; S425-I443 VanDerWaalsContact CA-O 3.27Å; S425-I443 WeakPolarHBondContact CA-O 3.37Å |
| 426 | I | 59.4 | Low | 68.2 | Low | 47 Ų | 47 | 67 Ų | 67 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.5 | 175.9 | -177.4 | 171.6 | 0 | 0 | 0 | 109.7 | A418 E421 R428 I443 | A418-I426 HydrophobicContact CB-CD1 4.03Å; A418-I426 HydrophobicContact CB-CG1 3.97Å; E421-I426 HydrophobicContact CG-CG1 4.37Å; I426-R428 HydrophobicContact CG1-CG 4.42Å; I426-I443 HydrophobicContact CG2-CB 3.9Å; I426-I443 HydrophobicContact CG2-CD1 4.11Å; I426-I443 HydrophobicContact CG2-CG1 4.32Å; I426-I443 PolarHBondContact N-O 2.89Å; I426-I443 PolarHBondContact O-N 2.77Å |
| 427 | C | 73.3 | Confident | 69.9 | Low | 33 Ų | 33 | 68.1 Ų | 68.1 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.1 | 175.8 | -64 | 0 | 0 | 0 | 0 | 109.8 | A418 L419 G420 V441 | A418-C427 CarbonylContact C-O 3.53Å; A418-C427 WeakPolarHBondContact CA-O 3.37Å; L419-C427 HydrophobicContact CB-CB 4.07Å; L419-C427 PolarHBondContact N-O 3.38Å; G420-C427 PolarHBondContact O-N 3.16Å; C427-V441 WeakPolarHBondContact CA-O 3.35Å |
| 428 | R | 80.6 | Confident | 71.8 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 158.7 | 175.7 | -79.1 | -170.3 | 161.4 | -79.7 | -15.4 | 111.6 | M412 D413 D416 I426 A440 V441 | M412-R428 HydrophobicContact CG-CB 4.4Å; D413-R428 PolarHBondContact O-NH1 2.79Å; D416-R428 PolarHBondContact O-NH1 3.2Å; D416-R428 PolarHBondContact O-NH2 2.9Å; I426-R428 HydrophobicContact CG1-CG 4.42Å; R428-A440 CarbonylContact O-C 3.55Å; R428-A440 WeakPolarHBondContact O-CA 3.31Å; R428-V441 HydrophobicContact CB-CG1 4.3Å; R428-V441 PolarHBondContact N-O 3.38Å; R428-V441 PolarHBondContact O-N 2.92Å |
| 429 | R | 83.3 | Confident | 73.3 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 142.5 | 166.1 | -177.9 | 167.8 | 66.4 | -151 | 0.9 | 109.4 | D413 D416 L419 L487 | D413-R429 HydrophobicContact CB-CB 3.98Å; D413-R429 HydrophobicContact CB-CG 4.49Å; D413-R429 WeakPolarHBondContact CB-O 3.48Å; D413-R429 PolarHBondContact N-O 2.89Å; D413-R429 IonicContact OD2-CZ 3.7Å; D413-R429 VanDerWaalsContact OD2-CZ 3.23Å; D413-R429 IonicContact OD2-NE 3.77Å; D413-R429 PolarHBondContact OD2-NE 2.86Å; D413-R429 IonicContact OD2-NH2 3.56Å; D413-R429 PolarHBondContact OD2-NH2 2.9Å; D416-R429 IonicContact OD2-CZ 2.69Å; D416-R429 VanDerWaalsContact OD2-CZ 3.28Å; D416-R429 IonicContact OD2-NH1 2.66Å; D416-R429 PolarHBondContact OD2-NH1 2.91Å; D416-R429 IonicContact OD2-NH2 3.28Å; D416-R429 PolarHBondContact OD2-NH2 2.86Å; L419-R429 HydrophobicContact CD1-CB 4.4Å; R429-L487 HydrophobicContact CG-CD2 4.23Å |
| 430 | C | 86.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.3 | 168.2 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | F406 Y410 E411 Q438 Y439 V441 | F406-C430 HydrophobicContact CZ-CB 4.01Å; Y410-C430 HydrophobicContact CD1-CB 4.27Å; E411-C430 CarbonylContact O-C 3.6Å; E411-C430 WeakPolarHBondContact O-CA 3.29Å; E411-C430 WeakPolarHBondContact O-CB 3.34Å; C430-Q438 WeakPolarHBondContact O-CA 3.35Å; C430-Y439 PolarHBondContact N-O 2.88Å; C430-Y439 PolarHBondContact O-N 3.07Å; C430-V441 HydrophobicContact CB-CB 4.48Å; C430-V441 HydrophobicContact CB-CG1 3.97Å |
| 431 | T | 90.1 | Very high | 76.1 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 26% | 0.258 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.1 | -178.7 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | Y410 E411 K433 G436 Q437 | Y410-T431 CarbonylContact C-O 3.58Å; Y410-T431 WeakPolarHBondContact CA-O 3.47Å; E411-T431 PolarHBondContact N-O 3.18Å; E411-T431 PolarHBondContact O-N 2.75Å; T431-K433 PolarHBondContact O-N 3.06Å; T431-G436 WeakPolarHBondContact CG2-O 3.43Å; T431-Q437 WeakPolarHBondContact CA-O 3.45Å |
| 432 | H | 92.2 | Very high | 77.8 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.5 | 175.5 | 178.5 | -116 | 0 | 0 | 0 | 110.1 | N409 Y410 N434 T435 G436 Q437 Y439 | N409-H432 PolarHBondContact O-CD2 2.85Å; Y410-H432 HydrophobicContact CD1-CB 4.07Å; Y410-H432 HydrophobicContact CE1-CB 3.66Å; Y410-H432 AromaticContact CE2-CD2 3.76Å; Y410-H432 AromaticContact CZ-CD2 3.78Å; H432-N434 VanDerWaalsContact C-N 3.3Å; H432-N434 PolarHBondContact O-N 3.17Å; H432-T435 PolarHBondContact ND1-OG1 3.46Å; H432-T435 PolarHBondContact O-N 3.28Å; H432-G436 WeakPolarHBondContact O-CA 3.23Å; H432-G436 PolarHBondContact O-N 2.74Å; H432-Q437 PolarHBondContact N-O 3.21Å; H432-Y439 HydrophobicContact CB-CD2 4.24Å; H432-Y439 HydrophobicContact CB-CE2 3.77Å |
| 433 | K | 88.1 | Confident | 79.3 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 45% | 0.452 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -33.5 | -167.1 | -72.4 | 173.8 | 166.8 | 175.7 | 0 | 114 | Y407 M408 N409 Y410 E411 T431 | Y407-K433 PolarHBondContact O-NZ 3.06Å; M408-K433 WeakPolarHBondContact O-CD 3.37Å; N409-K433 WeakPolarHBondContact O-CB 3.36Å; N409-K433 PolarHBondContact O-N 3.2Å; Y410-K433 VanDerWaalsContact O-CE 3.25Å; Y410-K433 WeakPolarHBondContact O-CE 3.19Å; Y410-K433 PolarHBondContact O-NZ 2.9Å; E411-K433 HydrophobicContact CB-CG 4.24Å; T431-K433 PolarHBondContact O-N 3.06Å |
| 434 | N | 88.9 | Confident | 80.2 | Confident | 128 Ų | 128 | 50.1 Ų | 50.1 | 68% | 0.684 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15 | -176 | -57.3 | -47.8 | 0 | 0 | 0 | 113.8 | H432 | H432-N434 VanDerWaalsContact C-N 3.3Å; H432-N434 PolarHBondContact O-N 3.17Å |
| 435 | T | 91.9 | Very high | 80.6 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 57% | 0.571 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -11.7 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | H432 Q437 | H432-T435 PolarHBondContact ND1-OG1 3.46Å; H432-T435 PolarHBondContact O-N 3.28Å; T435-Q437 PolarHBondContact O-N 3.39Å; T435-Q437 VanDerWaalsContact O-N 3.16Å; T435-Q437 WeakPolarHBondContact OG1-CB 3.19Å; T435-Q437 PolarHBondContact OG1-N 2.92Å |
| 436 | G | 88.5 | Confident | 80.7 | Confident | 51 Ų | 51 | 46.1 Ų | 46.1 | 53% | 0.526 | 24% | 0.244 | S | C | . | . | trans | 69.2 | 0.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T431 H432 | T431-G436 WeakPolarHBondContact CG2-O 3.43Å; H432-G436 WeakPolarHBondContact O-CA 3.23Å; H432-G436 PolarHBondContact O-N 2.74Å | ||
| 437 | Q | 92.4 | Very high | 79.8 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | trans | -71.2 | 135 | -176.9 | -179 | 56.8 | 51.4 | 0 | 0 | 110.9 | T431 H432 T435 Y439 | T431-Q437 WeakPolarHBondContact CA-O 3.45Å; H432-Q437 PolarHBondContact N-O 3.21Å; T435-Q437 PolarHBondContact O-N 3.39Å; T435-Q437 VanDerWaalsContact O-N 3.16Å; T435-Q437 WeakPolarHBondContact OG1-CB 3.19Å; T435-Q437 PolarHBondContact OG1-N 2.92Å; Q437-Y439 HydrophobicContact CB-CE2 3.7Å; Q437-Y439 HydrophobicContact CG-CD2 4.23Å; Q437-Y439 HydrophobicContact CG-CE1 4.27Å; Q437-Y439 HydrophobicContact CG-CE2 3.48Å; Q437-Y439 VanDerWaalsContact CG-CE2 3.48Å; Q437-Y439 VanDerWaalsContact O-CD2 3.25Å; Q437-Y439 WeakPolarHBondContact O-CD2 3.25Å; Q437-Y439 WeakPolarHBondContact O-CE2 3.48Å | ||
| 438 | Q | 92.4 | Very high | 78.4 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 41% | 0.407 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 146.5 | 178.1 | -64.9 | -172.8 | -5.8 | 0 | 0 | 112.3 | C430 L487 | C430-Q438 WeakPolarHBondContact O-CA 3.35Å; Q438-L487 HydrophobicContact CB-CD2 3.83Å |
| 439 | Y | 93.8 | Very high | 77.3 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165 | -175.3 | -64.5 | -85.3 | 0 | 0 | 0 | 110.9 | Y410 C430 H432 Q437 H472 V484 L485 | Y410-Y439 HydrophobicContact CD1-CD2 4.49Å; Y410-Y439 AromaticContact CE1-CD2 3.58Å; Y410-Y439 HydrophobicContact CE1-CD2 3.58Å; Y410-Y439 HydrophobicContact CE1-CE2 4.01Å; Y410-Y439 HydrophobicContact CE1-CG 4.16Å; C430-Y439 PolarHBondContact N-O 2.88Å; C430-Y439 PolarHBondContact O-N 3.07Å; H432-Y439 HydrophobicContact CB-CD2 4.24Å; H432-Y439 HydrophobicContact CB-CE2 3.77Å; Q437-Y439 HydrophobicContact CB-CE2 3.7Å; Q437-Y439 HydrophobicContact CG-CD2 4.23Å; Q437-Y439 HydrophobicContact CG-CE1 4.27Å; Q437-Y439 HydrophobicContact CG-CE2 3.48Å; Q437-Y439 VanDerWaalsContact CG-CE2 3.48Å; Q437-Y439 VanDerWaalsContact O-CD2 3.25Å; Q437-Y439 WeakPolarHBondContact O-CD2 3.25Å; Q437-Y439 WeakPolarHBondContact O-CE2 3.48Å; Y439-H472 HydrophobicContact CE1-CB 4.39Å; Y439-H472 AromaticContact CE1-CD2 3.37Å; Y439-H472 WeakPolarHBondContact CE1-CD2 3.39Å; Y439-H472 AromaticContact CE1-CG 3.96Å; Y439-H472 AromaticContact CE1-NE2 3.83Å; Y439-H472 AromaticContact CZ-CD2 3.9Å; Y439-H472 AromaticContact CZ-NE2 3.84Å; Y439-H472 PolarHBondContact OH-NE2 2.79Å; Y439-H472 VanDerWaalsContact OH-NE2 3.13Å; Y439-V484 HydrophobicContact CD1-CG1 3.99Å; Y439-V484 HydrophobicContact CG-CG1 3.86Å; Y439-L485 WeakPolarHBondContact CB-O 3.47Å |
| 440 | A | 90.2 | Very high | 76 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L419 R428 L485 L487 | L419-A440 HydrophobicContact CD1-CB 3.99Å; R428-A440 CarbonylContact O-C 3.55Å; R428-A440 WeakPolarHBondContact O-CA 3.31Å; A440-L485 HydrophobicContact CB-CB 4.44Å; A440-L485 PolarHBondContact N-O 3.31Å; A440-L485 PolarHBondContact O-N 2.94Å; A440-L487 HydrophobicContact CB-CD1 4.03Å |
| 441 | V | 86.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.7 | 172.6 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | F406 M412 C427 R428 C430 I443 F482 L483 | F406-V441 HydrophobicContact CE2-CB 4.2Å; F406-V441 HydrophobicContact CE2-CG2 3.78Å; F406-V441 HydrophobicContact CZ-CB 4.12Å; F406-V441 HydrophobicContact CZ-CG1 4.02Å; F406-V441 HydrophobicContact CZ-CG2 3.94Å; M412-V441 HydrophobicContact CE-CG1 4.4Å; C427-V441 WeakPolarHBondContact CA-O 3.35Å; R428-V441 HydrophobicContact CB-CG1 4.3Å; R428-V441 PolarHBondContact N-O 3.38Å; R428-V441 PolarHBondContact O-N 2.92Å; C430-V441 HydrophobicContact CB-CB 4.48Å; C430-V441 HydrophobicContact CB-CG1 3.97Å; V441-I443 HydrophobicContact CG1-CG1 4.27Å; V441-I443 HydrophobicContact CG2-CG1 4.05Å; V441-F482 HydrophobicContact CG2-CB 3.79Å; V441-F482 HydrophobicContact CG2-CD1 3.94Å; V441-F482 HydrophobicContact CG2-CG 4.38Å; V441-L483 WeakPolarHBondContact CA-O 3.43Å |
| 442 | K | 81.3 | Confident | 73.3 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 103.6 | 169.2 | -172.8 | 174.5 | -167.8 | 175.9 | 0 | 107.9 | V444 E455 L483 L485 D552 | K442-V444 HydrophobicContact CG-CG2 4.04Å; K442-E455 WeakPolarHBondContact CE-OE1 3.34Å; K442-E455 IonicContact NZ-OE1 2.73Å; K442-E455 PolarHBondContact NZ-OE1 2.93Å; K442-L483 HydrophobicContact CB-CB 4.34Å; K442-L483 PolarHBondContact N-O 2.75Å; K442-L483 PolarHBondContact O-N 3.03Å; K442-L485 HydrophobicContact CB-CD1 4.21Å; K442-D552 IonicContact NZ-OD1 3.9Å; K442-D552 PolarHBondContact NZ-OD1 3.27Å |
| 443 | I | 71.8 | Confident | 72.5 | Confident | 20 Ų | 20 | 51 Ų | 51 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.7 | 180 | -44.2 | 175.3 | 0 | 0 | 0 | 107.5 | M412 S425 I426 V441 H480 F482 | M412-I443 HydrophobicContact CE-CD1 3.42Å; M412-I443 VanDerWaalsContact CE-CD1 3.42Å; M412-I443 HydrophobicContact CE-CG1 4.37Å; M412-I443 HydrophobicContact SD-CD1 3.75Å; S425-I443 VanDerWaalsContact CA-O 3.27Å; S425-I443 WeakPolarHBondContact CA-O 3.37Å; I426-I443 HydrophobicContact CG2-CB 3.9Å; I426-I443 HydrophobicContact CG2-CD1 4.11Å; I426-I443 HydrophobicContact CG2-CG1 4.32Å; I426-I443 PolarHBondContact N-O 2.89Å; I426-I443 PolarHBondContact O-N 2.77Å; V441-I443 HydrophobicContact CG1-CG1 4.27Å; V441-I443 HydrophobicContact CG2-CG1 4.05Å; I443-H480 HydrophobicContact CG2-CB 4.07Å; I443-F482 HydrophobicContact CB-CD1 4.45Å; I443-F482 HydrophobicContact CD1-CE1 4.42Å; I443-F482 HydrophobicContact CG1-CD1 4Å; I443-F482 HydrophobicContact CG1-CE1 4.3Å; I443-F482 HydrophobicContact CG2-CD1 4.01Å; I443-F482 HydrophobicContact CG2-CE1 3.89Å |
| 444 | V | 56.4 | Low | 71.9 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.6 | -179.3 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | K442 K446 M448 T452 H480 T481 L483 | K442-V444 HydrophobicContact CG-CG2 4.04Å; V444-K446 PolarHBondContact O-N 3.36Å; V444-M448 HydrophobicContact CG1-CB 3.98Å; V444-T452 HydrophobicContact CB-CG2 4.24Å; V444-T452 HydrophobicContact CG1-CG2 4.36Å; V444-T452 WeakPolarHBondContact CG1-OG1 3.48Å; V444-T452 HydrophobicContact CG2-CG2 4.31Å; V444-H480 WeakPolarHBondContact O-CA 3.47Å; V444-T481 PolarHBondContact N-O 2.88Å; V444-T481 PolarHBondContact O-N 3.04Å; V444-L483 HydrophobicContact CG2-CD1 3.67Å |
| 445 | S | 51.8 | Low | 71.6 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 131.6 | 172.6 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | G28 R447 M448 | G28-S445 PolarHBondContact O-OG 3.41Å; S445-R447 PolarHBondContact O-N 3.16Å; S445-R447 WeakPolarHBondContact OG-CG 3.2Å; S445-R447 PolarHBondContact OG-N 2.83Å; S445-M448 PolarHBondContact O-N 2.99Å |
| 446 | K | 54 | Low | 71.3 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61.1 | -13.2 | -179.6 | -155.6 | 176.5 | -171.1 | 170.1 | 0 | 113 | I30 V444 M448 E449 D477 L479 | I30-K446 VanDerWaalsContact CD1-C 3.41Å; I30-K446 HydrophobicContact CD1-CB 3.79Å; I30-K446 HydrophobicContact CD1-CD 4.37Å; I30-K446 HydrophobicContact CD1-CG 3.9Å; I30-K446 VanDerWaalsContact CD1-O 3.28Å; I30-K446 WeakPolarHBondContact CD1-O 3.37Å; I30-K446 HydrophobicContact CG1-CB 4.05Å; V444-K446 PolarHBondContact O-N 3.36Å; K446-M448 PolarHBondContact O-N 3.1Å; K446-E449 WeakPolarHBondContact CE-OE1 3.36Å; K446-E449 HydrophobicContact CG-CB 4.29Å; K446-E449 WeakPolarHBondContact O-CB 3.05Å; K446-E449 PolarHBondContact O-N 2.85Å; K446-D477 PolarHBondContact NZ-O 3.04Å; K446-L479 WeakPolarHBondContact CB-O 3.41Å; K446-L479 PolarHBondContact N-O 2.93Å; K446-L479 VanDerWaalsContact N-O 3.15Å |
| 447 | R | 41.4 | Very low | 71.1 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -57.1 | -30.6 | 168.1 | -65.3 | 176.2 | -179.8 | 170.6 | 1.6 | 113.4 | N25 T27 H29 I30 S445 E449 | N25-R447 VanDerWaalsContact CG-NH1 3.34Å; N25-R447 PolarHBondContact O-NH1 3.2Å; N25-R447 PolarHBondContact OD1-NH1 3.48Å; N25-R447 PolarHBondContact OD1-NH2 2.89Å; T27-R447 PolarHBondContact OG1-NH2 3.36Å; H29-R447 VanDerWaalsContact N-NH2 3.18Å; H29-R447 PolarHBondContact O-NE 2.53Å; H29-R447 PolarHBondContact O-NH2 3.12Å; I30-R447 HydrophobicContact CB-CG 4.37Å; I30-R447 HydrophobicContact CG1-CB 4.49Å; I30-R447 HydrophobicContact CG1-CG 3.82Å; S445-R447 PolarHBondContact O-N 3.16Å; S445-R447 WeakPolarHBondContact OG-CG 3.2Å; S445-R447 PolarHBondContact OG-N 2.83Å; R447-E449 VanDerWaalsContact C-N 3.29Å |
| 448 | M | 44.7 | Very low | 70.8 | Confident | 61 Ų | 61 | 35.5 Ų | 35.5 | 30% | 0.3 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -87.1 | 6.3 | 177.5 | -64.8 | -62.1 | -72.3 | 0 | 0 | 112.2 | F424 V444 S445 K446 A450 Q451 T452 | F424-M448 HydrophobicContact CB-CG 3.94Å; F424-M448 HydrophobicContact CB-SD 4.46Å; F424-M448 HydrophobicContact CD2-CE 4.28Å; F424-M448 HydrophobicContact CG-CE 4.49Å; F424-M448 HydrophobicContact CG-CG 4.39Å; F424-M448 HydrophobicContact CG-SD 4.29Å; V444-M448 HydrophobicContact CG1-CB 3.98Å; S445-M448 PolarHBondContact O-N 2.99Å; K446-M448 PolarHBondContact O-N 3.1Å; M448-A450 PolarHBondContact O-N 3.35Å; M448-Q451 HydrophobicContact CE-CB 4.03Å; M448-Q451 HydrophobicContact CE-CG 4.19Å; M448-Q451 CarbonylContact O-C 3.57Å; M448-Q451 VanDerWaalsContact O-CA 3.3Å; M448-Q451 WeakPolarHBondContact O-CA 3.49Å; M448-Q451 WeakPolarHBondContact O-CB 3.08Å; M448-Q451 PolarHBondContact O-N 3.46Å; M448-T452 PolarHBondContact O-N 2.88Å; M448-T452 PolarHBondContact O-OG1 3.46Å; M448-T452 VanDerWaalsContact O-OG1 3.06Å |
| 449 | E | 57.6 | Low | 70.6 | Confident | 64 Ų | 64 | 31.6 Ų | 31.6 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -50.2 | -37.6 | -173.9 | -178.5 | 166.5 | -117.9 | 0 | 0 | 113.5 | K446 R447 Q451 T452 Q453 | K446-E449 WeakPolarHBondContact CE-OE1 3.36Å; K446-E449 HydrophobicContact CG-CB 4.29Å; K446-E449 WeakPolarHBondContact O-CB 3.05Å; K446-E449 PolarHBondContact O-N 2.85Å; R447-E449 VanDerWaalsContact C-N 3.29Å; E449-Q451 VanDerWaalsContact C-N 3.25Å; E449-Q451 PolarHBondContact O-N 3.04Å; E449-T452 PolarHBondContact O-N 3.31Å; E449-Q453 HydrophobicContact CG-CG 4.02Å; E449-Q453 VanDerWaalsContact O-CB 3.29Å; E449-Q453 WeakPolarHBondContact O-CB 3.43Å; E449-Q453 WeakPolarHBondContact O-CG 3.4Å; E449-Q453 PolarHBondContact O-N 3.24Å |
| 450 | A | 54.3 | Low | 70.4 | Confident | 70 Ų | 70 | 36.7 Ų | 36.7 | 58% | 0.579 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -67.4 | -18.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M448 R454 | M448-A450 PolarHBondContact O-N 3.35Å; A450-R454 WeakPolarHBondContact O-CD 3.32Å; A450-R454 WeakPolarHBondContact O-CG 3.12Å; A450-R454 PolarHBondContact O-NE 3.23Å; A450-R454 PolarHBondContact O-NH1 2.83Å; A450-R454 VanDerWaalsContact O-NH1 3.16Å |
| 451 | Q | 55.4 | Low | 70.4 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 16% | 0.159 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -94.6 | -44.3 | 168.7 | -171.2 | 81.8 | -6.9 | 0 | 0 | 110.6 | M448 E449 Q453 R454 E455 G554 | M448-Q451 HydrophobicContact CE-CB 4.03Å; M448-Q451 HydrophobicContact CE-CG 4.19Å; M448-Q451 CarbonylContact O-C 3.57Å; M448-Q451 VanDerWaalsContact O-CA 3.3Å; M448-Q451 WeakPolarHBondContact O-CA 3.49Å; M448-Q451 WeakPolarHBondContact O-CB 3.08Å; M448-Q451 PolarHBondContact O-N 3.46Å; E449-Q451 VanDerWaalsContact C-N 3.25Å; E449-Q451 PolarHBondContact O-N 3.04Å; Q451-Q453 VanDerWaalsContact C-N 3.3Å; Q451-Q453 PolarHBondContact O-N 2.68Å; Q451-R454 WeakPolarHBondContact O-CA 3.45Å; Q451-R454 VanDerWaalsContact O-CB 3.3Å; Q451-R454 WeakPolarHBondContact O-CB 3.35Å; Q451-R454 PolarHBondContact O-N 2.86Å; Q451-E455 PolarHBondContact O-N 2.9Å; Q451-G554 PolarHBondContact NE2-O 3.34Å |
| 452 | T | 66.3 | Low | 70.5 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -35.6 | 179.6 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | V444 M448 E449 R454 E455 I456 T481 L483 | V444-T452 HydrophobicContact CB-CG2 4.24Å; V444-T452 HydrophobicContact CG1-CG2 4.36Å; V444-T452 WeakPolarHBondContact CG1-OG1 3.48Å; V444-T452 HydrophobicContact CG2-CG2 4.31Å; M448-T452 PolarHBondContact O-N 2.88Å; M448-T452 PolarHBondContact O-OG1 3.46Å; M448-T452 VanDerWaalsContact O-OG1 3.06Å; E449-T452 PolarHBondContact O-N 3.31Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 3.35Å; T452-E455 WeakPolarHBondContact O-CB 3.45Å; T452-E455 PolarHBondContact O-N 3.39Å; T452-I456 HydrophobicContact CG2-CD1 4.06Å; T452-I456 WeakPolarHBondContact O-CB 3.13Å; T452-I456 WeakPolarHBondContact O-CD1 3.44Å; T452-I456 WeakPolarHBondContact O-CG1 3.46Å; T452-I456 PolarHBondContact O-N 3.35Å; T452-T481 HydrophobicContact CG2-CG2 4.06Å; T452-L483 HydrophobicContact CG2-CD1 3.92Å |
| 453 | Q | 75.3 | Confident | 70.9 | Confident | 82 Ų | 82 | 43.4 Ų | 43.4 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.1 | -25.3 | 172.5 | -65.8 | -63.8 | -14 | 0 | 0 | 112.5 | E449 Q451 A457 | E449-Q453 HydrophobicContact CG-CG 4.02Å; E449-Q453 VanDerWaalsContact O-CB 3.29Å; E449-Q453 WeakPolarHBondContact O-CB 3.43Å; E449-Q453 WeakPolarHBondContact O-CG 3.4Å; E449-Q453 PolarHBondContact O-N 3.24Å; Q451-Q453 VanDerWaalsContact C-N 3.3Å; Q451-Q453 PolarHBondContact O-N 2.68Å; Q453-A457 WeakPolarHBondContact O-CB 3.2Å; Q453-A457 PolarHBondContact O-N 2.96Å |
| 454 | R | 74.5 | Confident | 71.5 | Confident | 110 Ų | 110 | 45.7 Ų | 45.7 | 42% | 0.415 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.5 | -39.5 | 170.2 | -59.5 | 172.1 | -174.6 | 126.7 | 7.3 | 111.3 | A450 Q451 T452 A457 A458 | A450-R454 WeakPolarHBondContact O-CD 3.32Å; A450-R454 WeakPolarHBondContact O-CG 3.12Å; A450-R454 PolarHBondContact O-NE 3.23Å; A450-R454 PolarHBondContact O-NH1 2.83Å; A450-R454 VanDerWaalsContact O-NH1 3.16Å; Q451-R454 WeakPolarHBondContact O-CA 3.45Å; Q451-R454 VanDerWaalsContact O-CB 3.3Å; Q451-R454 WeakPolarHBondContact O-CB 3.35Å; Q451-R454 PolarHBondContact O-N 2.86Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 3.35Å; R454-A457 PolarHBondContact O-N 2.84Å; R454-A458 WeakPolarHBondContact O-CB 3.32Å; R454-A458 PolarHBondContact O-N 3.12Å |
| 455 | E | 83.2 | Confident | 73.3 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -47 | 173.9 | 179.4 | 175.8 | -172.8 | 0 | 0 | 111 | K442 Q451 T452 A457 A458 L459 F553 | K442-E455 WeakPolarHBondContact CE-OE1 3.34Å; K442-E455 IonicContact NZ-OE1 2.73Å; K442-E455 PolarHBondContact NZ-OE1 2.93Å; Q451-E455 PolarHBondContact O-N 2.9Å; T452-E455 WeakPolarHBondContact O-CB 3.45Å; T452-E455 PolarHBondContact O-N 3.39Å; E455-A457 PolarHBondContact O-N 3.16Å; E455-A458 PolarHBondContact O-N 2.79Å; E455-L459 HydrophobicContact CG-CD1 4.1Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 WeakPolarHBondContact O-CG 3.33Å; E455-L459 PolarHBondContact O-N 3.37Å; E455-F553 HydrophobicContact CG-CB 3.97Å |
| 456 | I | 84.8 | Confident | 75.2 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 171.7 | -72.3 | 163.1 | 0 | 0 | 0 | 111.3 | T452 K460 I474 T481 L483 | T452-I456 HydrophobicContact CG2-CD1 4.06Å; T452-I456 WeakPolarHBondContact O-CB 3.13Å; T452-I456 WeakPolarHBondContact O-CD1 3.44Å; T452-I456 WeakPolarHBondContact O-CG1 3.46Å; T452-I456 PolarHBondContact O-N 3.35Å; I456-K460 HydrophobicContact CG2-CD 3.92Å; I456-K460 HydrophobicContact CG2-CG 4.47Å; I456-K460 VanDerWaalsContact O-CB 3.31Å; I456-K460 WeakPolarHBondContact O-CB 3.46Å; I456-K460 VanDerWaalsContact O-CG 3.26Å; I456-K460 WeakPolarHBondContact O-CG 3.45Å; I456-K460 PolarHBondContact O-N 3.48Å; I456-I474 HydrophobicContact CD1-CD1 4.17Å; I456-I474 HydrophobicContact CD1-CG2 3.99Å; I456-I474 HydrophobicContact CG1-CD1 4.14Å; I456-I474 HydrophobicContact CG2-CD1 3.61Å; I456-T481 HydrophobicContact CD1-CG2 4.23Å; I456-L483 HydrophobicContact CG1-CD2 3.74Å; I456-L483 HydrophobicContact CG1-CG 4.42Å |
| 457 | A | 85.8 | Confident | 77.1 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q453 R454 E455 K460 L461 | Q453-A457 WeakPolarHBondContact O-CB 3.2Å; Q453-A457 PolarHBondContact O-N 2.96Å; R454-A457 PolarHBondContact O-N 2.84Å; E455-A457 PolarHBondContact O-N 3.16Å; A457-K460 PolarHBondContact O-N 3.26Å; A457-L461 WeakPolarHBondContact O-CB 3.33Å; A457-L461 VanDerWaalsContact O-CG 3.29Å; A457-L461 WeakPolarHBondContact O-CG 3.44Å; A457-L461 PolarHBondContact O-N 3.28Å |
| 458 | A | 85.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R454 E455 K460 L461 C462 V527 F553 A556 | R454-A458 WeakPolarHBondContact O-CB 3.32Å; R454-A458 PolarHBondContact O-N 3.12Å; E455-A458 PolarHBondContact O-N 2.79Å; A458-K460 VanDerWaalsContact C-N 3.28Å; A458-K460 PolarHBondContact O-N 2.82Å; A458-L461 PolarHBondContact O-N 3.14Å; A458-C462 WeakPolarHBondContact O-CB 3.34Å; A458-C462 PolarHBondContact O-N 3.09Å; A458-C462 PolarHBondContact O-SG 3.35Å; A458-V527 HydrophobicContact CB-CG1 3.98Å; A458-V527 HydrophobicContact CB-CG2 4.11Å; A458-F553 HydrophobicContact CB-CD1 4.03Å; A458-A556 HydrophobicContact CB-CB 3.89Å |
| 459 | L | 89.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -37.5 | 175.7 | -75.9 | 168.7 | 0 | 0 | 0 | 112.5 | E455 D463 V469 L471 L483 F553 | E455-L459 HydrophobicContact CG-CD1 4.1Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 WeakPolarHBondContact O-CG 3.33Å; E455-L459 PolarHBondContact O-N 3.37Å; L459-D463 PolarHBondContact O-N 2.72Å; L459-D463 VanDerWaalsContact O-N 3.13Å; L459-V469 HydrophobicContact CD2-CG1 3.83Å; L459-L471 HydrophobicContact CB-CB 4.4Å; L459-L471 HydrophobicContact CB-CD2 4.04Å; L459-L471 HydrophobicContact CD1-CD2 4.22Å; L459-L483 HydrophobicContact CD1-CD2 3.93Å; L459-F553 HydrophobicContact CD2-CB 4.39Å; L459-F553 HydrophobicContact CD2-CD2 3.42Å; L459-F553 VanDerWaalsContact CD2-CD2 3.42Å; L459-F553 HydrophobicContact CD2-CE2 3.77Å; L459-F553 HydrophobicContact CD2-CG 3.91Å; L459-F553 HydrophobicContact CD2-CZ 4.49Å; L459-F553 HydrophobicContact CG-CB 4.19Å; L459-F553 HydrophobicContact CG-CD2 4.14Å; L459-F553 HydrophobicContact CG-CG 4.15Å |
| 460 | K | 89.9 | Confident | 83.6 | Confident | 132 Ų | 132 | 45.2 Ų | 45.2 | 57% | 0.574 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -75 | -31.6 | 176.9 | -76.6 | 178.1 | 175.7 | -178.6 | 0 | 114 | I456 A457 A458 | I456-K460 HydrophobicContact CG2-CD 3.92Å; I456-K460 HydrophobicContact CG2-CG 4.47Å; I456-K460 VanDerWaalsContact O-CB 3.31Å; I456-K460 WeakPolarHBondContact O-CB 3.46Å; I456-K460 VanDerWaalsContact O-CG 3.26Å; I456-K460 WeakPolarHBondContact O-CG 3.45Å; I456-K460 PolarHBondContact O-N 3.48Å; A457-K460 PolarHBondContact O-N 3.26Å; A458-K460 VanDerWaalsContact C-N 3.28Å; A458-K460 PolarHBondContact O-N 2.82Å |
| 461 | L | 89.1 | Confident | 85.4 | Confident | 83 Ų | 83 | 42.7 Ų | 42.7 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -74.2 | -30.3 | 174.7 | -74.2 | 167.4 | 0 | 0 | 0 | 111.8 | A457 A458 V525 V527 L558 | A457-L461 WeakPolarHBondContact O-CB 3.33Å; A457-L461 VanDerWaalsContact O-CG 3.29Å; A457-L461 WeakPolarHBondContact O-CG 3.44Å; A457-L461 PolarHBondContact O-N 3.28Å; A458-L461 PolarHBondContact O-N 3.14Å; L461-V525 HydrophobicContact CB-CB 4.42Å; L461-V525 HydrophobicContact CB-CG2 4.04Å; L461-V527 HydrophobicContact CB-CG2 4.31Å; L461-V527 HydrophobicContact CD1-CG2 4.28Å; L461-L558 HydrophobicContact CD1-CD1 4.43Å; L461-L558 HydrophobicContact CD1-CD2 3.59Å |
| 462 | C | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -97 | 9 | 179.2 | -59.3 | 0 | 0 | 0 | 0 | 114.2 | A458 I468 | A458-C462 WeakPolarHBondContact O-CB 3.34Å; A458-C462 PolarHBondContact O-N 3.09Å; A458-C462 PolarHBondContact O-SG 3.35Å; C462-I468 HydrophobicContact CB-CD1 3.73Å; C462-I468 HydrophobicContact CB-CG2 4.34Å |
| 463 | D | 88.7 | Confident | 88.4 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 148 | -178.1 | -171.7 | 28.6 | 0 | 0 | 0 | 111.4 | L459 | L459-D463 PolarHBondContact O-N 2.72Å; L459-D463 VanDerWaalsContact O-N 3.13Å |
| 464 | G | 84.8 | Confident | 89.1 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87 | -10.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 465 | H | 93.7 | Very high | 89.6 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | trans | -74.8 | 128.6 | 171.3 | -169.3 | -76.2 | 0 | 0 | 0 | 111.1 | N467 I468 S517 A518 H521 | H465-N467 VanDerWaalsContact C-N 3.27Å; H465-N467 WeakPolarHBondContact CE1-CB 3.26Å; H465-N467 PolarHBondContact CE1-OD1 2.76Å; H465-N467 PolarHBondContact ND1-N 2.81Å; H465-N467 PolarHBondContact O-N 2.77Å; H465-I468 HydrophobicContact CB-CB 4.31Å; H465-I468 HydrophobicContact CB-CD1 3.96Å; H465-I468 HydrophobicContact CB-CG1 4.15Å; H465-I468 PolarHBondContact O-N 3.26Å; H465-S517 PolarHBondContact CE1-OG 3.26Å; H465-S517 WeakPolarHBondContact NE2-CB 3.47Å; H465-S517 PolarHBondContact NE2-O 3.14Å; H465-S517 PolarHBondContact NE2-OG 2.96Å; H465-A518 PolarHBondContact CE1-N 2.96Å; H465-H521 AromaticContact CD2-CD2 3.94Å; H465-H521 AromaticContact CD2-CG 3.73Å; H465-H521 AromaticContact CG-CD2 3.97Å | ||
| 466 | P | 92.1 | Very high | 89.4 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 51% | 0.506 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.6 | -172.3 | 23.5 | -34.5 | 0 | 0 | 0 | 113.9 | K549 | P466-K549 WeakPolarHBondContact O-CE 3.28Å; P466-K549 WeakPolarHBondContact O-CG 3.48Å; P466-K549 PolarHBondContact O-NZ 2.73Å |
| 467 | N | 94.8 | Very high | 88.4 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 22.2 | -176.1 | -55.8 | 111.6 | 0 | 0 | 0 | 113.1 | H465 A518 E547 I548 K549 I550 | H465-N467 VanDerWaalsContact C-N 3.27Å; H465-N467 WeakPolarHBondContact CE1-CB 3.26Å; H465-N467 PolarHBondContact CE1-OD1 2.76Å; H465-N467 PolarHBondContact ND1-N 2.81Å; H465-N467 PolarHBondContact O-N 2.77Å; N467-A518 HydrophobicContact CB-CB 4.07Å; N467-E547 PolarHBondContact ND2-OE2 3.1Å; N467-I548 VanDerWaalsContact CA-O 3.28Å; N467-I548 WeakPolarHBondContact CA-O 3.18Å; N467-I548 VanDerWaalsContact CB-O 3.24Å; N467-I548 WeakPolarHBondContact CB-O 3.28Å; N467-I548 PolarHBondContact ND2-O 2.84Å; N467-K549 WeakPolarHBondContact O-CA 3.4Å; N467-I550 PolarHBondContact O-N 3.22Å; N467-I550 VanDerWaalsContact O-N 3.08Å |
| 468 | I | 93.4 | Very high | 86.7 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 149.2 | 171.1 | -66.3 | -178.3 | 0 | 0 | 0 | 108.8 | C462 H465 A518 M522 K549 F553 | C462-I468 HydrophobicContact CB-CD1 3.73Å; C462-I468 HydrophobicContact CB-CG2 4.34Å; H465-I468 HydrophobicContact CB-CB 4.31Å; H465-I468 HydrophobicContact CB-CD1 3.96Å; H465-I468 HydrophobicContact CB-CG1 4.15Å; H465-I468 PolarHBondContact O-N 3.26Å; I468-A518 HydrophobicContact CD1-CB 4.38Å; I468-A518 HydrophobicContact CG1-CB 3.98Å; I468-M522 HydrophobicContact CD1-CE 3.78Å; I468-M522 HydrophobicContact CD1-CG 4.01Å; I468-M522 HydrophobicContact CG1-CE 4.06Å; I468-K549 PolarHBondContact O-NZ 2.94Å; I468-F553 HydrophobicContact CD1-CZ 4.28Å; I468-F553 HydrophobicContact CG1-CZ 4.4Å; I468-F553 HydrophobicContact CG2-CE2 3.83Å; I468-F553 HydrophobicContact CG2-CZ 3.61Å |
| 469 | V | 93 | Very high | 85 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | trans | -69.9 | 128.1 | 175.9 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | L459 L485 E486 I550 I551 F553 | L459-V469 HydrophobicContact CD2-CG1 3.83Å; V469-L485 HydrophobicContact CG1-CD2 4.49Å; V469-L485 HydrophobicContact CG2-CB 4.1Å; V469-L485 HydrophobicContact CG2-CD1 4.43Å; V469-L485 HydrophobicContact CG2-CD2 4.48Å; V469-E486 WeakPolarHBondContact CA-OE1 3.18Å; V469-E486 HydrophobicContact CG2-CG 3.93Å; V469-I550 WeakPolarHBondContact CB-O 3.48Å; V469-I550 WeakPolarHBondContact CG1-O 3.28Å; V469-I550 PolarHBondContact N-O 2.84Å; V469-I551 HydrophobicContact CB-CG2 4.25Å; V469-I551 HydrophobicContact CG2-CG2 4.46Å; V469-F553 HydrophobicContact CG1-CE2 4.5Å | ||
| 470 | K | 92.1 | Very high | 83.7 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | trans | -78.6 | 126.3 | 178.7 | -173.5 | 170.1 | -173 | 175.9 | 0 | 111.3 | L485 E486 | K470-L485 WeakPolarHBondContact O-CA 3.46Å; K470-E486 HydrophobicContact CB-CG 4.37Å; K470-E486 WeakPolarHBondContact CB-OE1 3.4Å; K470-E486 PolarHBondContact N-OE1 2.79Å; K470-E486 PolarHBondContact O-N 2.75Å; K470-E486 VanDerWaalsContact O-N 3.15Å | ||
| 471 | L | 93.1 | Very high | 82.9 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.9 | 168.6 | -178.7 | 58.4 | 0 | 0 | 0 | 109.3 | L459 I474 L483 L485 | L459-L471 HydrophobicContact CB-CB 4.4Å; L459-L471 HydrophobicContact CB-CD2 4.04Å; L459-L471 HydrophobicContact CD1-CD2 4.22Å; L471-I474 HydrophobicContact CD1-CG1 4.1Å; L471-I474 HydrophobicContact CD2-CD1 3.97Å; L471-I474 HydrophobicContact CD2-CG1 3.98Å; L471-I474 HydrophobicContact CG-CG1 4.22Å; L471-L483 HydrophobicContact CD1-CB 3.81Å; L471-L483 HydrophobicContact CD1-CD2 4.08Å; L471-L483 HydrophobicContact CD1-CG 4.32Å; L471-L485 HydrophobicContact CB-CD2 4.26Å; L471-L485 HydrophobicContact CD1-CD2 3.75Å |
| 472 | H | 92.3 | Very high | 82.5 | Confident | 93 Ų | 93 | 46 Ų | 46 | 43% | 0.431 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -52.7 | -176.7 | -166.3 | -57.6 | 0 | 0 | 0 | 112 | Y439 V484 | Y439-H472 HydrophobicContact CE1-CB 4.39Å; Y439-H472 AromaticContact CE1-CD2 3.37Å; Y439-H472 WeakPolarHBondContact CE1-CD2 3.39Å; Y439-H472 AromaticContact CE1-CG 3.96Å; Y439-H472 AromaticContact CE1-NE2 3.83Å; Y439-H472 AromaticContact CZ-CD2 3.9Å; Y439-H472 AromaticContact CZ-NE2 3.84Å; Y439-H472 PolarHBondContact OH-NE2 2.79Å; Y439-H472 VanDerWaalsContact OH-NE2 3.13Å; H472-V484 WeakPolarHBondContact CB-O 3.44Å; H472-V484 PolarHBondContact N-O 3.09Å |
| 473 | E | 91.6 | Very high | 82.5 | Confident | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.5 | 178.7 | -56.4 | -156.6 | 113.8 | 0 | 0 | 111.7 | Y410 Y475 V484 | Y410-E473 WeakPolarHBondContact CE2-OE2 3.47Å; Y410-E473 PolarHBondContact OH-OE2 2.83Å; E473-Y475 HydrophobicContact CB-CD2 4.25Å; E473-Y475 HydrophobicContact CB-CE2 3.68Å; E473-Y475 HydrophobicContact CG-CE2 4.37Å; E473-Y475 WeakPolarHBondContact OE2-CE2 3.32Å; E473-Y475 PolarHBondContact OE2-OH 3.45Å; E473-V484 HydrophobicContact CB-CB 4.2Å; E473-V484 HydrophobicContact CB-CG2 4.32Å; E473-V484 PolarHBondContact N-O 2.91Å; E473-V484 PolarHBondContact O-N 2.93Å |
| 474 | I | 90.7 | Very high | 82.7 | Confident | 45 Ų | 45 | 42.1 Ų | 42.1 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 113.2 | 173.9 | -48.2 | 157.5 | 0 | 0 | 0 | 108.9 | I456 L471 H476 T481 F482 | I456-I474 HydrophobicContact CD1-CD1 4.17Å; I456-I474 HydrophobicContact CD1-CG2 3.99Å; I456-I474 HydrophobicContact CG1-CD1 4.14Å; I456-I474 HydrophobicContact CG2-CD1 3.61Å; L471-I474 HydrophobicContact CD1-CG1 4.1Å; L471-I474 HydrophobicContact CD2-CD1 3.97Å; L471-I474 HydrophobicContact CD2-CG1 3.98Å; L471-I474 HydrophobicContact CG-CG1 4.22Å; I474-H476 WeakPolarHBondContact CG2-CE1 3.3Å; I474-T481 HydrophobicContact CG2-CG2 3.78Å; I474-F482 WeakPolarHBondContact CA-O 3.38Å |
| 475 | Y | 85.2 | Confident | 83.1 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 10% | 0.102 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 146.4 | 173.1 | -66.8 | -91.1 | 0 | 0 | 0 | 110.5 | P405 F406 N409 Y410 E473 T481 F482 V484 | P405-Y475 HydrophobicContact CB-CD1 3.89Å; P405-Y475 HydrophobicContact CB-CE1 4.46Å; F406-Y475 HydrophobicContact CB-CD1 4.45Å; F406-Y475 HydrophobicContact CB-CD2 4.45Å; F406-Y475 HydrophobicContact CB-CG 3.98Å; F406-Y475 AromaticContact CD2-CD2 3.94Å; F406-Y475 HydrophobicContact CD2-CD2 3.94Å; F406-Y475 HydrophobicContact CD2-CG 4.31Å; N409-Y475 PolarHBondContact ND2-OH 2.75Å; Y410-Y475 HydrophobicContact CD2-CE2 4.01Å; Y410-Y475 AromaticContact CE2-CE2 3.65Å; Y410-Y475 HydrophobicContact CE2-CE2 3.65Å; E473-Y475 HydrophobicContact CB-CD2 4.25Å; E473-Y475 HydrophobicContact CB-CE2 3.68Å; E473-Y475 HydrophobicContact CG-CE2 4.37Å; E473-Y475 WeakPolarHBondContact OE2-CE2 3.32Å; E473-Y475 PolarHBondContact OE2-OH 3.45Å; Y475-T481 WeakPolarHBondContact O-CA 3.45Å; Y475-F482 PolarHBondContact N-O 3.35Å; Y475-F482 PolarHBondContact O-N 2.81Å; Y475-V484 HydrophobicContact CD2-CG2 4.05Å; Y475-V484 HydrophobicContact CE2-CG2 4.21Å |
| 476 | H | 78.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 40.5 Ų | 40.5 | 33% | 0.333 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.2 | 174.6 | -56.8 | 79.8 | 0 | 0 | 0 | 107.5 | I474 T481 | I474-H476 WeakPolarHBondContact CG2-CE1 3.3Å; H476-T481 PolarHBondContact CD2-OG1 2.9Å |
| 477 | D | 64.1 | Low | 83 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | trans | -114.7 | -161.3 | 163.7 | 71.3 | 25.1 | 0 | 0 | 0 | 110.5 | S404 K446 L479 H480 F482 | S404-D477 WeakPolarHBondContact OG-CB 3.4Å; S404-D477 PolarHBondContact OG-OD2 3.41Å; K446-D477 PolarHBondContact NZ-O 3.04Å; D477-L479 PolarHBondContact O-N 3.37Å; D477-L479 WeakPolarHBondContact OD1-CA 3.47Å; D477-L479 PolarHBondContact OD1-N 2.85Å; D477-H480 PolarHBondContact N-O 3.35Å; D477-H480 PolarHBondContact OD1-N 3.47Å; D477-H480 IonicContact OD1-ND1 2.68Å; D477-H480 IonicContact OD2-ND1 2.94Å; D477-F482 HydrophobicContact CB-CE2 4.42Å; D477-F482 WeakPolarHBondContact OD2-CE2 3.48Å; D477-F482 WeakPolarHBondContact OD2-CZ 3.44Å | ||
| 478 | Q | 50.3 | Low | 82.9 | Confident | 166 Ų | 166 | 40 Ų | 40 | 78% | 0.776 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -67.9 | -19.3 | -179.8 | -60.5 | 178.2 | 13.1 | 0 | 0 | 112.4 | ||
| 479 | L | 48 | Very low | 82.4 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -131.2 | -32.3 | -160.4 | -51.7 | 169.6 | 0 | 0 | 0 | 112.8 | H29 M400 K446 D477 | H29-L479 HydrophobicContact CB-CD2 4.32Å; M400-L479 HydrophobicContact CE-CD1 3.98Å; K446-L479 WeakPolarHBondContact CB-O 3.41Å; K446-L479 PolarHBondContact N-O 2.93Å; K446-L479 VanDerWaalsContact N-O 3.15Å; D477-L479 PolarHBondContact O-N 3.37Å; D477-L479 WeakPolarHBondContact OD1-CA 3.47Å; D477-L479 PolarHBondContact OD1-N 2.85Å |
| 480 | H | 63.3 | Low | 81.9 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.4 | -173.1 | -48.3 | 100.2 | 0 | 0 | 0 | 113.1 | I443 V444 D477 F482 | I443-H480 HydrophobicContact CG2-CB 4.07Å; V444-H480 WeakPolarHBondContact O-CA 3.47Å; D477-H480 PolarHBondContact N-O 3.35Å; D477-H480 PolarHBondContact OD1-N 3.47Å; D477-H480 IonicContact OD1-ND1 2.68Å; D477-H480 IonicContact OD2-ND1 2.94Å; H480-F482 HydrophobicContact CB-CD2 4.35Å; H480-F482 HydrophobicContact CB-CE2 3.82Å; H480-F482 HydrophobicContact CB-CZ 3.92Å |
| 481 | T | 72.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.3 | 159.3 | -58.2 | 0 | 0 | 0 | 0 | 107.9 | V444 T452 I456 I474 Y475 H476 L483 | V444-T481 PolarHBondContact N-O 2.88Å; V444-T481 PolarHBondContact O-N 3.04Å; T452-T481 HydrophobicContact CG2-CG2 4.06Å; I456-T481 HydrophobicContact CD1-CG2 4.23Å; I474-T481 HydrophobicContact CG2-CG2 3.78Å; Y475-T481 WeakPolarHBondContact O-CA 3.45Å; H476-T481 PolarHBondContact CD2-OG1 2.9Å; T481-L483 HydrophobicContact CG2-CD1 4.38Å |
| 482 | F | 82.1 | Confident | 81 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.5 | 176.7 | -53.1 | -100.7 | 0 | 0 | 0 | 108 | F406 Y407 M412 V441 I443 I474 Y475 D477 H480 | F406-F482 HydrophobicContact CB-CD1 4.28Å; F406-F482 HydrophobicContact CB-CD2 3.81Å; F406-F482 HydrophobicContact CB-CE1 4.43Å; F406-F482 HydrophobicContact CB-CE2 3.97Å; F406-F482 HydrophobicContact CB-CG 3.98Å; F406-F482 HydrophobicContact CB-CZ 4.3Å; F406-F482 AromaticContact CD1-CD1 3.84Å; F406-F482 HydrophobicContact CD1-CD1 3.84Å; F406-F482 AromaticContact CD1-CE1 3.84Å; F406-F482 HydrophobicContact CD1-CE1 3.84Å; F406-F482 HydrophobicContact CD1-CG 4.36Å; F406-F482 HydrophobicContact CD1-CZ 4.35Å; F406-F482 HydrophobicContact CD2-CB 3.93Å; F406-F482 HydrophobicContact CD2-CD1 4.11Å; F406-F482 HydrophobicContact CD2-CG 4.01Å; F406-F482 HydrophobicContact CE1-CD1 4.24Å; F406-F482 HydrophobicContact CE1-CE1 4.38Å; F406-F482 HydrophobicContact CE2-CB 4.47Å; F406-F482 HydrophobicContact CE2-CD1 4.47Å; F406-F482 HydrophobicContact CG-CB 4.26Å; F406-F482 AromaticContact CG-CD1 3.78Å; F406-F482 HydrophobicContact CG-CD1 3.78Å; F406-F482 HydrophobicContact CG-CD2 4.18Å; F406-F482 HydrophobicContact CG-CE1 4.11Å; F406-F482 HydrophobicContact CG-CE2 4.48Å; F406-F482 AromaticContact CG-CG 3.83Å; F406-F482 HydrophobicContact CG-CG 3.83Å; F406-F482 HydrophobicContact CG-CZ 4.46Å; Y407-F482 HydrophobicContact CE2-CE1 4.21Å; Y407-F482 HydrophobicContact CE2-CZ 4.05Å; M412-F482 HydrophobicContact CE-CE1 4.21Å; V441-F482 HydrophobicContact CG2-CB 3.79Å; V441-F482 HydrophobicContact CG2-CD1 3.94Å; V441-F482 HydrophobicContact CG2-CG 4.38Å; I443-F482 HydrophobicContact CB-CD1 4.45Å; I443-F482 HydrophobicContact CD1-CE1 4.42Å; I443-F482 HydrophobicContact CG1-CD1 4Å; I443-F482 HydrophobicContact CG1-CE1 4.3Å; I443-F482 HydrophobicContact CG2-CD1 4.01Å; I443-F482 HydrophobicContact CG2-CE1 3.89Å; I474-F482 WeakPolarHBondContact CA-O 3.38Å; Y475-F482 PolarHBondContact N-O 3.35Å; Y475-F482 PolarHBondContact O-N 2.81Å; D477-F482 HydrophobicContact CB-CE2 4.42Å; D477-F482 WeakPolarHBondContact OD2-CE2 3.48Å; D477-F482 WeakPolarHBondContact OD2-CZ 3.44Å; H480-F482 HydrophobicContact CB-CD2 4.35Å; H480-F482 HydrophobicContact CB-CE2 3.82Å; H480-F482 HydrophobicContact CB-CZ 3.92Å |
| 483 | L | 88.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.5 | 167.7 | -59.7 | 91.6 | 0 | 0 | 0 | 107.6 | V441 K442 V444 T452 I456 L459 L471 T481 L485 | V441-L483 WeakPolarHBondContact CA-O 3.43Å; K442-L483 HydrophobicContact CB-CB 4.34Å; K442-L483 PolarHBondContact N-O 2.75Å; K442-L483 PolarHBondContact O-N 3.03Å; V444-L483 HydrophobicContact CG2-CD1 3.67Å; T452-L483 HydrophobicContact CG2-CD1 3.92Å; I456-L483 HydrophobicContact CG1-CD2 3.74Å; I456-L483 HydrophobicContact CG1-CG 4.42Å; L459-L483 HydrophobicContact CD1-CD2 3.93Å; L471-L483 HydrophobicContact CD1-CB 3.81Å; L471-L483 HydrophobicContact CD1-CD2 4.08Å; L471-L483 HydrophobicContact CD1-CG 4.32Å; T481-L483 HydrophobicContact CG2-CD1 4.38Å; L483-L485 HydrophobicContact CB-CD2 4.43Å |
| 484 | V | 92.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.6 | 172.9 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | F406 Y410 Y439 H472 E473 Y475 | F406-V484 HydrophobicContact CD2-CG2 4.27Å; F406-V484 HydrophobicContact CE2-CG2 3.95Å; Y410-V484 HydrophobicContact CE1-CG1 3.78Å; Y410-V484 HydrophobicContact CE1-CG2 4.48Å; Y410-V484 HydrophobicContact CE2-CG2 4.31Å; Y439-V484 HydrophobicContact CD1-CG1 3.99Å; Y439-V484 HydrophobicContact CG-CG1 3.86Å; H472-V484 WeakPolarHBondContact CB-O 3.44Å; H472-V484 PolarHBondContact N-O 3.09Å; E473-V484 HydrophobicContact CB-CB 4.2Å; E473-V484 HydrophobicContact CB-CG2 4.32Å; E473-V484 PolarHBondContact N-O 2.91Å; E473-V484 PolarHBondContact O-N 2.93Å; Y475-V484 HydrophobicContact CD2-CG2 4.05Å; Y475-V484 HydrophobicContact CE2-CG2 4.21Å |
| 485 | L | 92.9 | Very high | 79.5 | Confident | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 160 | -179.5 | -55.7 | 174.6 | 0 | 0 | 0 | 109.8 | Y439 A440 K442 V469 K470 L471 L483 | Y439-L485 WeakPolarHBondContact CB-O 3.47Å; A440-L485 HydrophobicContact CB-CB 4.44Å; A440-L485 PolarHBondContact N-O 3.31Å; A440-L485 PolarHBondContact O-N 2.94Å; K442-L485 HydrophobicContact CB-CD1 4.21Å; V469-L485 HydrophobicContact CG1-CD2 4.49Å; V469-L485 HydrophobicContact CG2-CB 4.1Å; V469-L485 HydrophobicContact CG2-CD1 4.43Å; V469-L485 HydrophobicContact CG2-CD2 4.48Å; K470-L485 WeakPolarHBondContact O-CA 3.46Å; L471-L485 HydrophobicContact CB-CD2 4.26Å; L471-L485 HydrophobicContact CD1-CD2 3.75Å; L483-L485 HydrophobicContact CB-CD2 4.43Å |
| 486 | E | 93.2 | Very high | 79.4 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 144.4 | 165.4 | 68.5 | -171.7 | 137.1 | 0 | 0 | 111.3 | V469 K470 L488 K549 | V469-E486 WeakPolarHBondContact CA-OE1 3.18Å; V469-E486 HydrophobicContact CG2-CG 3.93Å; K470-E486 HydrophobicContact CB-CG 4.37Å; K470-E486 WeakPolarHBondContact CB-OE1 3.4Å; K470-E486 PolarHBondContact N-OE1 2.79Å; K470-E486 PolarHBondContact O-N 2.75Å; K470-E486 VanDerWaalsContact O-N 3.15Å; E486-L488 HydrophobicContact CG-CD2 3.87Å; E486-L488 HydrophobicContact CG-CG 4.37Å; E486-K549 WeakPolarHBondContact OE1-CD 3.47Å; E486-K549 WeakPolarHBondContact OE1-CE 3.43Å; E486-K549 IonicContact OE1-NZ 3.36Å; E486-K549 PolarHBondContact OE1-NZ 2.56Å; E486-K549 WeakPolarHBondContact OE2-CE 2.98Å; E486-K549 IonicContact OE2-NZ 2.68Å; E486-K549 PolarHBondContact OE2-NZ 2.79Å |
| 487 | L | 91.8 | Very high | 79.6 | Confident | 53 Ų | 53 | 33.1 Ų | 33.1 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | trans | -85.7 | 124.4 | 175.6 | -175.5 | 60.6 | 0 | 0 | 0 | 109.6 | L419 R429 Q438 A440 | L419-L487 HydrophobicContact CD1-CD1 3.73Å; R429-L487 HydrophobicContact CG-CD2 4.23Å; Q438-L487 HydrophobicContact CB-CD2 3.83Å; A440-L487 HydrophobicContact CB-CD1 4.03Å | ||
| 488 | L | 90.9 | Very high | 80.4 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | trans | -105.9 | 114.7 | 179.1 | -57.4 | 179.8 | 0 | 0 | 0 | 109.5 | E486 L538 T540 K549 I551 | E486-L488 HydrophobicContact CG-CD2 3.87Å; E486-L488 HydrophobicContact CG-CG 4.37Å; L488-L538 HydrophobicContact CB-CB 4.21Å; L488-L538 HydrophobicContact CB-CD2 4.25Å; L488-L538 HydrophobicContact CD1-CB 3.85Å; L488-T540 HydrophobicContact CD2-CG2 3.99Å; L488-K549 HydrophobicContact CD1-CB 3.92Å; L488-K549 HydrophobicContact CD1-CD 4.2Å; L488-K549 HydrophobicContact CD2-CD 3.59Å; L488-I551 HydrophobicContact CD1-CG2 3.5Å | ||
| 489 | G | 84.6 | Confident | 82 | Confident | 52 Ų | 52 | 37.2 Ų | 37.2 | 54% | 0.536 | 19% | 0.189 | S | C | . | . | trans | -96.1 | -10.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | G491 T540 | G489-G491 VanDerWaalsContact C-N 3.3Å; G489-G491 PolarHBondContact O-N 2.89Å; G489-T540 PolarHBondContact N-O 3.31Å | ||
| 490 | G | 82.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -80.4 | -0.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R496 F539 D541 | G490-R496 VanDerWaalsContact CA-NH1 3.32Å; G490-R496 PolarHBondContact O-NH1 3.48Å; G490-F539 VanDerWaalsContact CA-O 3.26Å; G490-F539 WeakPolarHBondContact CA-O 3.39Å; G490-F539 PolarHBondContact N-O 3.04Å; G490-D541 VanDerWaalsContact CA-C 3.46Å; G490-D541 WeakPolarHBondContact CA-O 3.03Å |
| 491 | G | 82.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | trans | 71.3 | -179.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G489 L538 F539 | G489-G491 VanDerWaalsContact C-N 3.3Å; G489-G491 PolarHBondContact O-N 2.89Å; G491-L538 WeakPolarHBondContact O-CA 3.49Å; G491-F539 PolarHBondContact O-N 2.95Å | ||
| 492 | E | 82.9 | Confident | 84.8 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -75.1 | 152.9 | -177.2 | -65.4 | 177.2 | -147.8 | 0 | 0 | 113.2 | L494 E495 R496 L538 | E492-L494 PolarHBondContact O-N 3.34Å; E492-E495 HydrophobicContact CB-CB 4.44Å; E492-E495 PolarHBondContact O-N 2.95Å; E492-R496 PolarHBondContact O-N 2.82Å; E492-L538 HydrophobicContact CG-CD1 4.03Å |
| 493 | L | 84.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -49.4 | -56.3 | -177.2 | 173.5 | 58 | 0 | 0 | 0 | 114.4 | R496 I497 I511 L537 F539 I548 I598 M602 | L493-R496 PolarHBondContact O-N 2.98Å; L493-I497 HydrophobicContact CD1-CD1 3.75Å; L493-I497 HydrophobicContact CD1-CG1 4.4Å; L493-I497 HydrophobicContact CG-CD1 4.22Å; L493-I497 WeakPolarHBondContact O-CG1 3.29Å; L493-I497 PolarHBondContact O-N 2.78Å; L493-I497 VanDerWaalsContact O-N 3.15Å; L493-I511 HydrophobicContact CD1-CD1 4.24Å; L493-I511 HydrophobicContact CD1-CG2 4.1Å; L493-L537 HydrophobicContact CB-CB 4.13Å; L493-L537 HydrophobicContact CD2-CB 4.48Å; L493-L537 HydrophobicContact CD2-CD1 3.68Å; L493-L537 PolarHBondContact N-O 3.04Å; L493-F539 HydrophobicContact CD1-CE2 3.95Å; L493-F539 HydrophobicContact CD1-CZ 4.3Å; L493-I548 HydrophobicContact CB-CD1 4.44Å; L493-I548 HydrophobicContact CD1-CD1 3.92Å; L493-I548 HydrophobicContact CD2-CD1 4.35Å; L493-I548 HydrophobicContact CG-CD1 4.46Å; L493-I598 HydrophobicContact CD2-CG2 4.03Å; L493-M602 HydrophobicContact CD1-SD 4.09Å; L493-M602 HydrophobicContact CD2-CG 4.17Å; L493-M602 HydrophobicContact CD2-SD 3.93Å; L493-M602 HydrophobicContact CG-SD 4.48Å |
| 494 | L | 81.4 | Confident | 85.2 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.3 | -32.3 | -174.7 | -62 | 179.7 | 0 | 0 | 0 | 112.3 | E492 R496 I497 R498 P534 T601 L692 | E492-L494 PolarHBondContact O-N 3.34Å; L494-R496 VanDerWaalsContact C-N 3.35Å; L494-I497 PolarHBondContact O-N 3.41Å; L494-R498 WeakPolarHBondContact O-CB 3.5Å; L494-R498 PolarHBondContact O-N 3.11Å; L494-P534 HydrophobicContact CD1-CB 3.89Å; L494-P534 HydrophobicContact CD1-CG 4.03Å; L494-P534 HydrophobicContact CG-CB 3.87Å; L494-P534 HydrophobicContact CG-CG 4.32Å; L494-T601 HydrophobicContact CD1-CG2 3.9Å; L494-T601 HydrophobicContact CD2-CG2 3.9Å; L494-L692 HydrophobicContact CB-CD1 4.42Å |
| 495 | E | 78.1 | Confident | 85 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 175.6 | 175.2 | 58.9 | -175.3 | 0 | 0 | 111.4 | E492 R498 R499 | E492-E495 HydrophobicContact CB-CB 4.44Å; E492-E495 PolarHBondContact O-N 2.95Å; E495-R498 VanDerWaalsContact CD-NH2 3.27Å; E495-R498 PolarHBondContact O-N 3.13Å; E495-R498 IonicContact OE1-CZ 3.78Å; E495-R498 IonicContact OE1-NH2 2.77Å; E495-R498 PolarHBondContact OE1-NH2 3.29Å; E495-R498 IonicContact OE2-CZ 2.85Å; E495-R498 IonicContact OE2-NE 3.82Å; E495-R498 PolarHBondContact OE2-NE 2.83Å; E495-R498 IonicContact OE2-NH2 2.65Å; E495-R498 PolarHBondContact OE2-NH2 3.49Å; E495-R499 WeakPolarHBondContact O-CG 3.36Å; E495-R499 PolarHBondContact O-N 2.98Å; E495-R499 IonicContact OE1-CZ 3.8Å; E495-R499 VanDerWaalsContact OE1-CZ 3.23Å; E495-R499 IonicContact OE1-NE 2.6Å; E495-R499 PolarHBondContact OE1-NE 3.22Å; E495-R499 IonicContact OE1-NH2 2.69Å; E495-R499 PolarHBondContact OE1-NH2 3.5Å |
| 496 | R | 82.8 | Confident | 84.8 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 174.9 | -162.7 | -174.7 | -165.2 | 102.8 | -13.7 | 112.3 | G490 E492 L493 L494 R499 K500 F539 D541 E542 S543 S546 | G490-R496 VanDerWaalsContact CA-NH1 3.32Å; G490-R496 PolarHBondContact O-NH1 3.48Å; E492-R496 PolarHBondContact O-N 2.82Å; L493-R496 PolarHBondContact O-N 2.98Å; L494-R496 VanDerWaalsContact C-N 3.35Å; R496-R499 PolarHBondContact O-N 3.42Å; R496-K500 PolarHBondContact O-N 2.93Å; R496-F539 HydrophobicContact CB-CD2 4.21Å; R496-F539 HydrophobicContact CB-CE2 4.17Å; R496-F539 VanDerWaalsContact CD-CE2 3.41Å; R496-F539 HydrophobicContact CG-CD2 4.42Å; R496-F539 HydrophobicContact CG-CE2 4.43Å; R496-F539 VanDerWaalsContact NH1-CB 3.34Å; R496-D541 PolarHBondContact NH1-O 2.85Å; R496-D541 PolarHBondContact NH2-O 3.28Å; R496-E542 PolarHBondContact NH2-O 2.96Å; R496-S543 PolarHBondContact NH2-O 3.33Å; R496-S546 VanDerWaalsContact NH2-CB 3.28Å |
| 497 | I | 84.1 | Confident | 84.6 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.4 | -65 | 166.8 | 0 | 0 | 0 | 110.4 | L493 L494 R499 K500 F503 M602 T688 P689 L692 | L493-I497 HydrophobicContact CD1-CD1 3.75Å; L493-I497 HydrophobicContact CD1-CG1 4.4Å; L493-I497 HydrophobicContact CG-CD1 4.22Å; L493-I497 WeakPolarHBondContact O-CG1 3.29Å; L493-I497 PolarHBondContact O-N 2.78Å; L493-I497 VanDerWaalsContact O-N 3.15Å; L494-I497 PolarHBondContact O-N 3.41Å; I497-R499 PolarHBondContact O-N 3.05Å; I497-K500 PolarHBondContact O-N 2.78Å; I497-K500 VanDerWaalsContact O-N 3.12Å; I497-F503 HydrophobicContact CD1-CE1 3.91Å; I497-F503 HydrophobicContact CD1-CE2 4.26Å; I497-F503 HydrophobicContact CD1-CZ 3.71Å; I497-F503 HydrophobicContact CG1-CD1 4.49Å; I497-F503 HydrophobicContact CG1-CD2 4.31Å; I497-F503 HydrophobicContact CG1-CE1 4.21Å; I497-F503 HydrophobicContact CG1-CE2 4.01Å; I497-F503 HydrophobicContact CG1-CZ 3.95Å; I497-F503 HydrophobicContact CG2-CB 4.32Å; I497-F503 HydrophobicContact CG2-CD1 3.66Å; I497-F503 HydrophobicContact CG2-CD2 4.45Å; I497-F503 HydrophobicContact CG2-CE1 4.03Å; I497-F503 HydrophobicContact CG2-CG 3.89Å; I497-M602 HydrophobicContact CD1-CB 4.45Å; I497-M602 HydrophobicContact CD1-CG 4.03Å; I497-T688 HydrophobicContact CG2-CG2 3.55Å; I497-P689 HydrophobicContact CG2-CG 4.42Å; I497-L692 HydrophobicContact CB-CD1 4.46Å; I497-L692 HydrophobicContact CG2-CD1 4.29Å |
| 498 | R | 81.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -27.9 | 175.8 | -171.5 | 175.8 | 74.2 | 112.6 | 4.8 | 113.6 | L494 E495 L692 | L494-R498 WeakPolarHBondContact O-CB 3.5Å; L494-R498 PolarHBondContact O-N 3.11Å; E495-R498 VanDerWaalsContact CD-NH2 3.27Å; E495-R498 PolarHBondContact O-N 3.13Å; E495-R498 IonicContact OE1-CZ 3.78Å; E495-R498 IonicContact OE1-NH2 2.77Å; E495-R498 PolarHBondContact OE1-NH2 3.29Å; E495-R498 IonicContact OE2-CZ 2.85Å; E495-R498 IonicContact OE2-NE 3.82Å; E495-R498 PolarHBondContact OE2-NE 2.83Å; E495-R498 IonicContact OE2-NH2 2.65Å; E495-R498 PolarHBondContact OE2-NH2 3.49Å; R498-L692 HydrophobicContact CB-CB 3.9Å; R498-L692 HydrophobicContact CB-CD1 4.24Å; R498-L692 VanDerWaalsContact CD-O 3.31Å; R498-L692 WeakPolarHBondContact CD-O 3.36Å; R498-L692 HydrophobicContact CG-CB 3.78Å |
| 499 | R | 82.6 | Confident | 84.5 | Confident | 163 Ų | 163 | 48 Ų | 48 | 62% | 0.615 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -85.9 | -12.9 | 178.3 | -69.5 | 176.4 | -171 | -167.5 | 5.7 | 114.3 | E495 R496 I497 | E495-R499 WeakPolarHBondContact O-CG 3.36Å; E495-R499 PolarHBondContact O-N 2.98Å; E495-R499 IonicContact OE1-CZ 3.8Å; E495-R499 VanDerWaalsContact OE1-CZ 3.23Å; E495-R499 IonicContact OE1-NE 2.6Å; E495-R499 PolarHBondContact OE1-NE 3.22Å; E495-R499 IonicContact OE1-NH2 2.69Å; E495-R499 PolarHBondContact OE1-NH2 3.5Å; R496-R499 PolarHBondContact O-N 3.42Å; I497-R499 PolarHBondContact O-N 3.05Å |
| 500 | K | 82.5 | Confident | 84.8 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 27% | 0.265 | 24% | 0.235 | S | C | . | . | trans | -80.4 | 134 | 179.2 | -81 | -169.2 | 163.6 | -172.3 | 0 | 111.5 | R496 I497 H502 F503 E507 P689 | R496-K500 PolarHBondContact O-N 2.93Å; I497-K500 PolarHBondContact O-N 2.78Å; I497-K500 VanDerWaalsContact O-N 3.12Å; K500-H502 VanDerWaalsContact C-N 3.3Å; K500-H502 WeakPolarHBondContact CB-O 3.13Å; K500-F503 HydrophobicContact CD-CD2 4.26Å; K500-E507 IonicContact NZ-OE1 3.99Å; K500-E507 PolarHBondContact NZ-OE1 3.43Å; K500-P689 WeakPolarHBondContact O-CB 3.49Å; K500-P689 WeakPolarHBondContact O-CG 3.44Å | ||
| 501 | Q | 77.5 | Confident | 85.2 | Confident | 177 Ų | 177 | 52.2 Ų | 52.2 | 83% | 0.827 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -69.3 | -30.2 | 170.2 | -66.6 | -177.7 | -2 | 0 | 0 | 112.5 | ||
| 502 | H | 83.6 | Confident | 85.7 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 58% | 0.583 | 22% | 0.22 | S | C | * | . | trans | -136.2 | 131 | 177.8 | -59.2 | 89.2 | 0 | 0 | 0 | 108.2 | K500 | K500-H502 VanDerWaalsContact C-N 3.3Å; K500-H502 WeakPolarHBondContact CB-O 3.13Å | ||
| 503 | F | 87.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | trans | -137.7 | 123.1 | 172.2 | -179.9 | -114.6 | 0 | 0 | 0 | 108.1 | I497 K500 E507 A508 I511 M602 L686 P689 | I497-F503 HydrophobicContact CD1-CE1 3.91Å; I497-F503 HydrophobicContact CD1-CE2 4.26Å; I497-F503 HydrophobicContact CD1-CZ 3.71Å; I497-F503 HydrophobicContact CG1-CD1 4.49Å; I497-F503 HydrophobicContact CG1-CD2 4.31Å; I497-F503 HydrophobicContact CG1-CE1 4.21Å; I497-F503 HydrophobicContact CG1-CE2 4.01Å; I497-F503 HydrophobicContact CG1-CZ 3.95Å; I497-F503 HydrophobicContact CG2-CB 4.32Å; I497-F503 HydrophobicContact CG2-CD1 3.66Å; I497-F503 HydrophobicContact CG2-CD2 4.45Å; I497-F503 HydrophobicContact CG2-CE1 4.03Å; I497-F503 HydrophobicContact CG2-CG 3.89Å; K500-F503 HydrophobicContact CD-CD2 4.26Å; F503-E507 WeakPolarHBondContact CA-OE2 3.31Å; F503-E507 HydrophobicContact CD2-CB 3.96Å; F503-E507 HydrophobicContact CE2-CB 3.72Å; F503-A508 HydrophobicContact CE1-CB 4.05Å; F503-A508 HydrophobicContact CZ-CB 3.8Å; F503-I511 HydrophobicContact CE2-CD1 3.9Å; F503-I511 HydrophobicContact CZ-CD1 4.15Å; F503-M602 WeakPolarHBondContact CE1-O 3.46Å; F503-L686 HydrophobicContact CD1-CD1 3.95Å; F503-L686 HydrophobicContact CE1-CD1 4.09Å; F503-L686 VanDerWaalsContact O-CB 3.31Å; F503-L686 WeakPolarHBondContact O-CB 3.37Å; F503-L686 WeakPolarHBondContact O-CG 3.24Å; F503-L686 PolarHBondContact O-N 3.42Å; F503-P689 HydrophobicContact CB-CG 3.9Å | ||
| 504 | S | 90.1 | Very high | 86.6 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -107 | 164 | -171.1 | 59.9 | 0 | 0 | 0 | 0 | 113 | T506 E507 A508 | S504-T506 VanDerWaalsContact C-N 3.26Å; S504-T506 PolarHBondContact O-N 3.36Å; S504-E507 WeakPolarHBondContact CB-OE2 3.27Å; S504-E507 PolarHBondContact N-OE2 3.31Å; S504-E507 PolarHBondContact O-N 3.04Å; S504-E507 WeakPolarHBondContact OG-CG 3.42Å; S504-E507 PolarHBondContact OG-N 3.47Å; S504-E507 PolarHBondContact OG-OE2 2.88Å; S504-A508 PolarHBondContact O-N 3.47Å |
| 505 | E | 88.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -34.3 | 174.6 | -162.6 | 175.6 | 135.3 | 0 | 0 | 111.6 | E507 A508 S509 L603 V643 S644 W674 S682 | E505-E507 PolarHBondContact O-N 2.65Å; E505-A508 PolarHBondContact O-N 3.47Å; E505-S509 PolarHBondContact O-N 3.39Å; E505-L603 HydrophobicContact CG-CD2 4.08Å; E505-V643 WeakPolarHBondContact OE2-CA 3.41Å; E505-S644 WeakPolarHBondContact OE1-CB 3.29Å; E505-S644 PolarHBondContact OE1-OG 3.38Å; E505-S644 PolarHBondContact OE2-N 2.88Å; E505-W674 HydrophobicContact CG-CZ2 3.79Å; E505-W674 PolarHBondContact OE1-NE1 3.01Å; E505-S682 WeakPolarHBondContact CB-O 3.16Å; E505-S682 PolarHBondContact N-O 2.72Å |
| 506 | T | 88.4 | Confident | 87.8 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 173 | -43.8 | 0 | 0 | 0 | 0 | 112.2 | S504 R510 L681 | S504-T506 VanDerWaalsContact C-N 3.26Å; S504-T506 PolarHBondContact O-N 3.36Å; T506-R510 VanDerWaalsContact O-CG 3.29Å; T506-R510 WeakPolarHBondContact O-CG 3.34Å; T506-R510 PolarHBondContact O-N 3.19Å; T506-L681 HydrophobicContact CG2-CB 4.5Å; T506-L681 HydrophobicContact CG2-CD1 4.46Å; T506-L681 WeakPolarHBondContact OG1-CB 3.44Å |
| 507 | E | 88.6 | Confident | 88.4 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.9 | -40.8 | 174.2 | -72 | 165 | 91.9 | 0 | 0 | 112.4 | K500 F503 S504 E505 S509 R510 I511 | K500-E507 IonicContact NZ-OE1 3.99Å; K500-E507 PolarHBondContact NZ-OE1 3.43Å; F503-E507 WeakPolarHBondContact CA-OE2 3.31Å; F503-E507 HydrophobicContact CD2-CB 3.96Å; F503-E507 HydrophobicContact CE2-CB 3.72Å; S504-E507 WeakPolarHBondContact CB-OE2 3.27Å; S504-E507 PolarHBondContact N-OE2 3.31Å; S504-E507 PolarHBondContact O-N 3.04Å; S504-E507 WeakPolarHBondContact OG-CG 3.42Å; S504-E507 PolarHBondContact OG-N 3.47Å; S504-E507 PolarHBondContact OG-OE2 2.88Å; E505-E507 PolarHBondContact O-N 2.65Å; E507-S509 VanDerWaalsContact C-N 3.32Å; E507-S509 PolarHBondContact O-N 3.37Å; E507-R510 PolarHBondContact O-N 3.35Å; E507-I511 WeakPolarHBondContact O-CG1 3.4Å; E507-I511 PolarHBondContact O-N 3.05Å |
| 508 | A | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F503 S504 E505 I511 M512 L603 W674 | F503-A508 HydrophobicContact CE1-CB 4.05Å; F503-A508 HydrophobicContact CZ-CB 3.8Å; S504-A508 PolarHBondContact O-N 3.47Å; E505-A508 PolarHBondContact O-N 3.47Å; A508-I511 PolarHBondContact O-N 3.16Å; A508-M512 VanDerWaalsContact O-CB 3.28Å; A508-M512 WeakPolarHBondContact O-CB 3.49Å; A508-M512 PolarHBondContact O-N 3.19Å; A508-L603 HydrophobicContact CB-CD2 3.55Å; A508-W674 HydrophobicContact CB-CH2 4.48Å |
| 509 | S | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | E505 E507 I511 M512 R513 W674 | E505-S509 PolarHBondContact O-N 3.39Å; E507-S509 VanDerWaalsContact C-N 3.32Å; E507-S509 PolarHBondContact O-N 3.37Å; S509-I511 PolarHBondContact O-N 3.01Å; S509-M512 PolarHBondContact O-N 3.2Å; S509-R513 VanDerWaalsContact O-CB 3.27Å; S509-R513 WeakPolarHBondContact O-CB 3.42Å; S509-R513 PolarHBondContact O-N 2.91Å; S509-W674 PolarHBondContact OG-O 2.89Å |
| 510 | R | 90.1 | Very high | 89.8 | Confident | 128 Ų | 128 | 36.8 Ų | 36.8 | 48% | 0.483 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 174.7 | -72 | 170 | -177.1 | 176.5 | 4.1 | 113.2 | T506 E507 K514 D678 | T506-R510 VanDerWaalsContact O-CG 3.29Å; T506-R510 WeakPolarHBondContact O-CG 3.34Å; T506-R510 PolarHBondContact O-N 3.19Å; E507-R510 PolarHBondContact O-N 3.35Å; R510-K514 WeakPolarHBondContact O-CG 3.24Å; R510-K514 PolarHBondContact O-N 2.94Å; R510-D678 IonicContact CZ-OD2 3.32Å; R510-D678 IonicContact NE-OD1 2.68Å; R510-D678 IonicContact NE-OD2 2.78Å; R510-D678 PolarHBondContact NE-OD2 2.86Å; R510-D678 IonicContact NH2-OD2 2.73Å; R510-D678 PolarHBondContact NH2-OD2 3.3Å |
| 511 | I | 91.6 | Very high | 90.2 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.097 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -48.3 | 172.5 | -68 | 166.3 | 0 | 0 | 0 | 110.1 | L493 F503 E507 A508 S509 R513 K514 L515 F539 I548 M602 | L493-I511 HydrophobicContact CD1-CD1 4.24Å; L493-I511 HydrophobicContact CD1-CG2 4.1Å; F503-I511 HydrophobicContact CE2-CD1 3.9Å; F503-I511 HydrophobicContact CZ-CD1 4.15Å; E507-I511 WeakPolarHBondContact O-CG1 3.4Å; E507-I511 PolarHBondContact O-N 3.05Å; A508-I511 PolarHBondContact O-N 3.16Å; S509-I511 PolarHBondContact O-N 3.01Å; I511-R513 VanDerWaalsContact C-N 3.34Å; I511-R513 PolarHBondContact O-N 2.67Å; I511-K514 WeakPolarHBondContact O-CB 3.46Å; I511-K514 PolarHBondContact O-N 3.33Å; I511-K514 VanDerWaalsContact O-N 3.15Å; I511-L515 HydrophobicContact CG2-CD1 4.12Å; I511-L515 WeakPolarHBondContact O-CG 3.41Å; I511-L515 PolarHBondContact O-N 3.02Å; I511-L515 VanDerWaalsContact O-N 3.11Å; I511-F539 HydrophobicContact CD1-CZ 4.11Å; I511-F539 HydrophobicContact CG1-CZ 4.38Å; I511-I548 HydrophobicContact CG2-CD1 3.71Å; I511-M602 HydrophobicContact CB-SD 4.29Å; I511-M602 HydrophobicContact CG2-CE 4.39Å; I511-M602 HydrophobicContact CG2-SD 3.74Å |
| 512 | M | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | -179.9 | -171.9 | 66.1 | 174.9 | 0 | 0 | 112.3 | A508 S509 K514 L515 V516 L595 L599 M602 L655 W674 L675 | A508-M512 VanDerWaalsContact O-CB 3.28Å; A508-M512 WeakPolarHBondContact O-CB 3.49Å; A508-M512 PolarHBondContact O-N 3.19Å; S509-M512 PolarHBondContact O-N 3.2Å; M512-K514 VanDerWaalsContact C-N 3.31Å; M512-K514 PolarHBondContact O-N 3.5Å; M512-L515 PolarHBondContact O-N 3.45Å; M512-V516 HydrophobicContact CE-CG2 4.1Å; M512-V516 HydrophobicContact CG-CG2 4.34Å; M512-V516 WeakPolarHBondContact O-CB 3.39Å; M512-V516 WeakPolarHBondContact O-CG2 3.36Å; M512-V516 PolarHBondContact O-N 3.42Å; M512-L595 HydrophobicContact CE-CB 3.77Å; M512-L595 HydrophobicContact CE-CD2 4.44Å; M512-L595 HydrophobicContact SD-CD2 4.4Å; M512-L599 HydrophobicContact CE-CB 4.23Å; M512-L599 HydrophobicContact CE-CD2 4.19Å; M512-L599 HydrophobicContact CG-CD1 4.41Å; M512-L599 HydrophobicContact SD-CB 4.18Å; M512-M602 HydrophobicContact CB-CE 4.27Å; M512-M602 HydrophobicContact SD-CE 4.41Å; M512-L655 HydrophobicContact CE-CD1 3.87Å; M512-W674 HydrophobicContact CB-CZ3 4.05Å; M512-W674 HydrophobicContact CG-CZ3 4.14Å; M512-L675 HydrophobicContact CB-CD2 3.88Å; M512-L675 HydrophobicContact CG-CD2 3.69Å |
| 513 | R | 91.9 | Very high | 91.2 | Very high | 66 Ų | 66 | 23 Ų | 23 | 25% | 0.249 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.9 | -44.2 | 173.8 | -173.4 | -162.6 | -51.1 | -63.2 | -8.5 | 111.8 | S509 I511 S517 L675 D678 | S509-R513 VanDerWaalsContact O-CB 3.27Å; S509-R513 WeakPolarHBondContact O-CB 3.42Å; S509-R513 PolarHBondContact O-N 2.91Å; I511-R513 VanDerWaalsContact C-N 3.34Å; I511-R513 PolarHBondContact O-N 2.67Å; R513-S517 WeakPolarHBondContact O-CB 3.44Å; R513-S517 PolarHBondContact O-N 2.89Å; R513-L675 PolarHBondContact NH1-O 3.25Å; R513-L675 PolarHBondContact NH2-O 3.03Å; R513-D678 IonicContact CZ-OD1 3.16Å; R513-D678 IonicContact NH2-OD1 2.8Å; R513-D678 PolarHBondContact NH2-OD1 3.44Å |
| 514 | K | 93.1 | Very high | 91.2 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 23% | 0.23 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.6 | -69.7 | 174.9 | 178.2 | -158.5 | 0 | 111.7 | R510 I511 M512 S517 A518 E547 I548 | R510-K514 WeakPolarHBondContact O-CG 3.24Å; R510-K514 PolarHBondContact O-N 2.94Å; I511-K514 WeakPolarHBondContact O-CB 3.46Å; I511-K514 PolarHBondContact O-N 3.33Å; I511-K514 VanDerWaalsContact O-N 3.15Å; M512-K514 VanDerWaalsContact C-N 3.31Å; M512-K514 PolarHBondContact O-N 3.5Å; K514-S517 PolarHBondContact O-N 3.09Å; K514-A518 PolarHBondContact O-N 3.41Å; K514-E547 VanDerWaalsContact CD-OE2 3.32Å; K514-E547 WeakPolarHBondContact CD-OE2 3.34Å; K514-E547 VanDerWaalsContact CE-OE2 3.25Å; K514-E547 WeakPolarHBondContact CE-OE2 3.3Å; K514-E547 IonicContact NZ-OE1 2.73Å; K514-E547 PolarHBondContact NZ-OE1 2.76Å; K514-E547 IonicContact NZ-OE2 2.7Å; K514-E547 PolarHBondContact NZ-OE2 2.96Å; K514-I548 HydrophobicContact CB-CG2 3.81Å; K514-I548 HydrophobicContact CD-CG2 4.13Å |
| 515 | L | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 175.5 | -62.5 | 171.7 | 0 | 0 | 0 | 112.1 | I511 M512 S517 A518 V519 L537 I548 I550 L595 I598 | I511-L515 HydrophobicContact CG2-CD1 4.12Å; I511-L515 WeakPolarHBondContact O-CG 3.41Å; I511-L515 PolarHBondContact O-N 3.02Å; I511-L515 VanDerWaalsContact O-N 3.11Å; M512-L515 PolarHBondContact O-N 3.45Å; L515-S517 VanDerWaalsContact C-N 3.31Å; L515-S517 PolarHBondContact O-N 2.94Å; L515-A518 PolarHBondContact O-N 2.76Å; L515-V519 WeakPolarHBondContact O-CG2 3.32Å; L515-V519 PolarHBondContact O-N 3Å; L515-L537 HydrophobicContact CD1-CD1 3.88Å; L515-L537 HydrophobicContact CD2-CD1 3.83Å; L515-L537 HydrophobicContact CD2-CD2 3.55Å; L515-L537 HydrophobicContact CD2-CG 4.31Å; L515-I548 HydrophobicContact CD2-CD1 4.24Å; L515-I548 HydrophobicContact CD2-CG2 4.34Å; L515-I550 HydrophobicContact CD2-CG1 4.29Å; L515-L595 HydrophobicContact CB-CD2 3.87Å; L515-I598 HydrophobicContact CD1-CG2 4.31Å |
| 516 | V | 93.3 | Very high | 91 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | M512 S520 L595 M666 L669 L675 | M512-V516 HydrophobicContact CE-CG2 4.1Å; M512-V516 HydrophobicContact CG-CG2 4.34Å; M512-V516 WeakPolarHBondContact O-CB 3.39Å; M512-V516 WeakPolarHBondContact O-CG2 3.36Å; M512-V516 PolarHBondContact O-N 3.42Å; V516-S520 WeakPolarHBondContact O-CB 3.35Å; V516-S520 PolarHBondContact O-N 2.89Å; V516-L595 HydrophobicContact CG2-CD1 4.29Å; V516-M666 HydrophobicContact CG1-SD 4.05Å; V516-L669 HydrophobicContact CG1-CD2 4.24Å; V516-L669 HydrophobicContact CG1-CG 4.14Å; V516-L669 HydrophobicContact CG2-CD2 3.72Å; V516-L669 HydrophobicContact CG2-CG 4.11Å; V516-L675 HydrophobicContact CB-CD1 4.47Å; V516-L675 HydrophobicContact CG1-CD1 4.4Å; V516-L675 HydrophobicContact CG2-CD1 4.04Å |
| 517 | S | 93.7 | Very high | 90.8 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 37% | 0.371 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61 | -46.9 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | H465 R513 K514 L515 H521 | H465-S517 PolarHBondContact CE1-OG 3.26Å; H465-S517 WeakPolarHBondContact NE2-CB 3.47Å; H465-S517 PolarHBondContact NE2-O 3.14Å; H465-S517 PolarHBondContact NE2-OG 2.96Å; R513-S517 WeakPolarHBondContact O-CB 3.44Å; R513-S517 PolarHBondContact O-N 2.89Å; K514-S517 PolarHBondContact O-N 3.09Å; L515-S517 VanDerWaalsContact C-N 3.31Å; L515-S517 PolarHBondContact O-N 2.94Å; S517-H521 WeakPolarHBondContact O-CB 3.45Å; S517-H521 PolarHBondContact O-N 2.84Å |
| 518 | A | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H465 N467 I468 K514 L515 H521 M522 I550 | H465-A518 PolarHBondContact CE1-N 2.96Å; N467-A518 HydrophobicContact CB-CB 4.07Å; I468-A518 HydrophobicContact CD1-CB 4.38Å; I468-A518 HydrophobicContact CG1-CB 3.98Å; K514-A518 PolarHBondContact O-N 3.41Å; L515-A518 PolarHBondContact O-N 2.76Å; A518-H521 PolarHBondContact O-N 3.36Å; A518-M522 HydrophobicContact CB-CE 4.47Å; A518-M522 WeakPolarHBondContact O-CG 3.18Å; A518-M522 PolarHBondContact O-N 2.99Å; A518-I550 HydrophobicContact CB-CD1 3.69Å |
| 519 | V | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.8 | -35.5 | -178.7 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | L515 H521 M522 H523 L532 I550 D591 L595 M666 | L515-V519 WeakPolarHBondContact O-CG2 3.32Å; L515-V519 PolarHBondContact O-N 3Å; V519-H521 PolarHBondContact O-N 2.81Å; V519-M522 PolarHBondContact O-N 2.96Å; V519-H523 PolarHBondContact O-CD2 2.58Å; V519-H523 VanDerWaalsContact O-CG 3.28Å; V519-H523 PolarHBondContact O-N 3.07Å; V519-L532 HydrophobicContact CG1-CD1 4.19Å; V519-L532 HydrophobicContact CG2-CD1 3.62Å; V519-L532 HydrophobicContact CG2-CD2 4.18Å; V519-I550 HydrophobicContact CG2-CD1 4.05Å; V519-D591 HydrophobicContact CG1-CB 3.87Å; V519-L595 HydrophobicContact CB-CD1 4.27Å; V519-L595 HydrophobicContact CG1-CD1 4.34Å; V519-L595 HydrophobicContact CG2-CD1 4.24Å; V519-L595 HydrophobicContact CG2-CD2 4.45Å; V519-M666 HydrophobicContact CB-CE 3.91Å; V519-M666 HydrophobicContact CG1-CE 3.53Å |
| 520 | S | 92.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -48.9 | 168.7 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | V516 M522 H523 D524 | V516-S520 WeakPolarHBondContact O-CB 3.35Å; V516-S520 PolarHBondContact O-N 2.89Å; S520-M522 VanDerWaalsContact C-N 3.33Å; S520-M522 PolarHBondContact O-N 3.47Å; S520-H523 PolarHBondContact O-N 2.75Å; S520-H523 VanDerWaalsContact O-N 3.11Å; S520-D524 WeakPolarHBondContact O-CB 3.19Å; S520-D524 PolarHBondContact O-N 3.23Å; S520-D524 PolarHBondContact OG-OD2 2.81Å |
| 521 | H | 92.8 | Very high | 88.5 | Confident | 48 Ų | 48 | 22.8 Ų | 22.8 | 22% | 0.222 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 178.9 | 176 | 62.8 | 0 | 0 | 0 | 112.5 | H465 S517 A518 V519 D524 V525 | H465-H521 AromaticContact CD2-CD2 3.94Å; H465-H521 AromaticContact CD2-CG 3.73Å; H465-H521 AromaticContact CG-CD2 3.97Å; S517-H521 WeakPolarHBondContact O-CB 3.45Å; S517-H521 PolarHBondContact O-N 2.84Å; A518-H521 PolarHBondContact O-N 3.36Å; V519-H521 PolarHBondContact O-N 2.81Å; H521-D524 PolarHBondContact O-N 2.99Å; H521-V525 WeakPolarHBondContact O-CG2 3.23Å; H521-V525 PolarHBondContact O-N 3.06Å; H521-V525 VanDerWaalsContact O-N 3.1Å |
| 522 | M | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | 171.8 | -64 | -177.5 | -149 | 0 | 0 | 111.4 | I468 A518 V519 S520 D524 V525 G526 V527 H529 I550 F553 | I468-M522 HydrophobicContact CD1-CE 3.78Å; I468-M522 HydrophobicContact CD1-CG 4.01Å; I468-M522 HydrophobicContact CG1-CE 4.06Å; A518-M522 HydrophobicContact CB-CE 4.47Å; A518-M522 WeakPolarHBondContact O-CG 3.18Å; A518-M522 PolarHBondContact O-N 2.99Å; V519-M522 PolarHBondContact O-N 2.96Å; S520-M522 VanDerWaalsContact C-N 3.33Å; S520-M522 PolarHBondContact O-N 3.47Å; M522-D524 VanDerWaalsContact C-N 3.33Å; M522-D524 PolarHBondContact O-N 2.94Å; M522-V525 CarbonylContact O-C 3.54Å; M522-V525 WeakPolarHBondContact O-CG2 3.12Å; M522-V525 PolarHBondContact O-N 2.74Å; M522-G526 PolarHBondContact O-N 2.78Å; M522-G526 VanDerWaalsContact O-N 3.15Å; M522-V527 CarbonylContact C-O 3.58Å; M522-V527 HydrophobicContact CB-CB 4.12Å; M522-V527 HydrophobicContact CB-CG1 4.21Å; M522-V527 WeakPolarHBondContact CB-O 3.19Å; M522-V527 HydrophobicContact CG-CG1 4.49Å; M522-V527 WeakPolarHBondContact O-CA 3.44Å; M522-V527 PolarHBondContact O-N 2.95Å; M522-V527 VanDerWaalsContact O-O 3.06Å; M522-H529 HydrophobicContact SD-CB 3.96Å; M522-I550 HydrophobicContact CE-CB 4.24Å; M522-I550 HydrophobicContact CE-CD1 3.38Å; M522-I550 HydrophobicContact CE-CG1 4.39Å; M522-I550 HydrophobicContact CE-CG2 4.14Å; M522-F553 HydrophobicContact CE-CE1 3.89Å; M522-F553 HydrophobicContact CE-CZ 3.6Å; M522-F553 HydrophobicContact CG-CE1 4.27Å; M522-F553 HydrophobicContact SD-CE1 3.67Å; M522-F553 HydrophobicContact SD-CZ 4.04Å |
| 523 | H | 89.5 | Confident | 86.9 | Confident | 27 Ų | 27 | 23.3 Ų | 23.3 | 13% | 0.125 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | -179.1 | -66.3 | -178.9 | 0 | 0 | 0 | 111.7 | V519 S520 V525 G526 V527 D591 | V519-H523 PolarHBondContact O-CD2 2.58Å; V519-H523 VanDerWaalsContact O-CG 3.28Å; V519-H523 PolarHBondContact O-N 3.07Å; S520-H523 PolarHBondContact O-N 2.75Å; S520-H523 VanDerWaalsContact O-N 3.11Å; H523-V525 VanDerWaalsContact C-N 3.33Å; H523-V525 PolarHBondContact O-N 2.68Å; H523-G526 PolarHBondContact O-N 2.98Å; H523-V527 PolarHBondContact CD2-O 3.16Å; H523-V527 PolarHBondContact N-O 2.98Å; H523-D591 IonicContact CD2-OD2 2.67Å; H523-D591 IonicContact CE1-OD2 3.01Å; H523-D591 IonicContact NE2-OD2 3.23Å; H523-D591 PolarHBondContact NE2-OD2 2.68Å |
| 524 | D | 88.9 | Confident | 85.9 | Confident | 116 Ų | 116 | 20.4 Ų | 20.4 | 62% | 0.62 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -62.6 | -35.2 | 176.4 | -67.9 | -39.4 | 0 | 0 | 0 | 112.2 | S520 H521 M522 G526 | S520-D524 WeakPolarHBondContact O-CB 3.19Å; S520-D524 PolarHBondContact O-N 3.23Å; S520-D524 PolarHBondContact OG-OD2 2.81Å; H521-D524 PolarHBondContact O-N 2.99Å; M522-D524 VanDerWaalsContact C-N 3.33Å; M522-D524 PolarHBondContact O-N 2.94Å; D524-G526 VanDerWaalsContact C-N 3.33Å |
| 525 | V | 89.3 | Confident | 84.9 | Confident | 49 Ų | 49 | 20.1 Ų | 20.1 | 30% | 0.297 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 10 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | L461 H521 M522 H523 V527 | L461-V525 HydrophobicContact CB-CB 4.42Å; L461-V525 HydrophobicContact CB-CG2 4.04Å; H521-V525 WeakPolarHBondContact O-CG2 3.23Å; H521-V525 PolarHBondContact O-N 3.06Å; H521-V525 VanDerWaalsContact O-N 3.1Å; M522-V525 CarbonylContact O-C 3.54Å; M522-V525 WeakPolarHBondContact O-CG2 3.12Å; M522-V525 PolarHBondContact O-N 2.74Å; H523-V525 VanDerWaalsContact C-N 3.33Å; H523-V525 PolarHBondContact O-N 2.68Å; V525-V527 HydrophobicContact CG2-CB 4.29Å; V525-V527 HydrophobicContact CG2-CG2 3.93Å |
| 526 | G | 84.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 20.4 Ų | 20.4 | 21% | 0.206 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 18.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M522 H523 D524 L558 K559 | M522-G526 PolarHBondContact O-N 2.78Å; M522-G526 VanDerWaalsContact O-N 3.15Å; H523-G526 PolarHBondContact O-N 2.98Å; D524-G526 VanDerWaalsContact C-N 3.33Å; G526-L558 CarbonylContact O-C 3.59Å; G526-L558 WeakPolarHBondContact O-CA 3.29Å; G526-K559 WeakPolarHBondContact O-CB 3.11Å; G526-K559 PolarHBondContact O-N 3.42Å |
| 527 | V | 85.7 | Confident | 84 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.3 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | A458 L461 M522 H523 V525 A556 R557 L558 | A458-V527 HydrophobicContact CB-CG1 3.98Å; A458-V527 HydrophobicContact CB-CG2 4.11Å; L461-V527 HydrophobicContact CB-CG2 4.31Å; L461-V527 HydrophobicContact CD1-CG2 4.28Å; M522-V527 CarbonylContact C-O 3.58Å; M522-V527 HydrophobicContact CB-CB 4.12Å; M522-V527 HydrophobicContact CB-CG1 4.21Å; M522-V527 WeakPolarHBondContact CB-O 3.19Å; M522-V527 HydrophobicContact CG-CG1 4.49Å; M522-V527 WeakPolarHBondContact O-CA 3.44Å; M522-V527 PolarHBondContact O-N 2.95Å; M522-V527 VanDerWaalsContact O-O 3.06Å; H523-V527 PolarHBondContact CD2-O 3.16Å; H523-V527 PolarHBondContact N-O 2.98Å; V525-V527 HydrophobicContact CG2-CB 4.29Å; V525-V527 HydrophobicContact CG2-CG2 3.93Å; V527-A556 HydrophobicContact CG1-CB 4.19Å; V527-R557 WeakPolarHBondContact CA-O 3.24Å; V527-L558 HydrophobicContact CG2-CD2 3.68Å |
| 528 | V | 81.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.024 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.6 | 170.3 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | R530 A556 R557 E588 D591 | V528-R530 HydrophobicContact CB-CG 4.36Å; V528-R530 HydrophobicContact CG1-CG 3.83Å; V528-A556 CarbonylContact O-C 3.57Å; V528-A556 VanDerWaalsContact O-CA 3.32Å; V528-A556 WeakPolarHBondContact O-CA 3.2Å; V528-R557 PolarHBondContact N-O 2.89Å; V528-R557 PolarHBondContact O-N 3.07Å; V528-E588 HydrophobicContact CG2-CB 4.49Å; V528-D591 VanDerWaalsContact CG1-OD2 3.32Å; V528-D591 WeakPolarHBondContact CG1-OD2 3.39Å |
| 529 | H | 83.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | trans | -81.3 | -46.8 | -167.2 | -169 | -86.5 | 0 | 0 | 0 | 112.9 | M522 D531 L532 I550 D552 F555 D591 | M522-H529 HydrophobicContact SD-CB 3.96Å; H529-D531 PolarHBondContact CE1-O 3.4Å; H529-D531 VanDerWaalsContact CE1-O 3.31Å; H529-D531 VanDerWaalsContact ND1-C 3.32Å; H529-D531 PolarHBondContact ND1-N 3.46Å; H529-D531 PolarHBondContact ND1-O 2.85Å; H529-D531 PolarHBondContact O-N 3.48Å; H529-L532 HydrophobicContact CB-CD1 4.47Å; H529-L532 HydrophobicContact CB-CD2 4.17Å; H529-L532 HydrophobicContact CB-CG 4Å; H529-L532 WeakPolarHBondContact ND1-CD2 3.14Å; H529-L532 PolarHBondContact ND1-N 2.98Å; H529-I550 VanDerWaalsContact NE2-CG2 3.31Å; H529-I550 WeakPolarHBondContact NE2-CG2 3.45Å; H529-D552 PolarHBondContact CE1-O 3.23Å; H529-D552 PolarHBondContact NE2-O 3.02Å; H529-F555 CarbonylContact O-C 3.52Å; H529-D591 PolarHBondContact N-OD2 3.18Å | ||
| 530 | R | 72.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 66.1 | -8.4 | 174 | -47.5 | -174.4 | -53.5 | 133.6 | 12.5 | 117.1 | V528 F555 T568 F571 Y586 D591 | V528-R530 HydrophobicContact CB-CG 4.36Å; V528-R530 HydrophobicContact CG1-CG 3.83Å; R530-F555 PolarHBondContact NE-O 3.41Å; R530-F555 PolarHBondContact NH2-O 2.92Å; R530-T568 PolarHBondContact NH1-O 3.42Å; R530-F571 HydrophobicContact CB-CD1 4.03Å; R530-F571 HydrophobicContact CB-CE1 3.64Å; R530-F571 HydrophobicContact CB-CZ 4.36Å; R530-F571 HydrophobicContact CG-CE1 4.05Å; R530-F571 HydrophobicContact CG-CZ 4.48Å; R530-F571 WeakPolarHBondContact O-CD1 3.36Å; R530-Y586 HydrophobicContact CG-CE2 4.45Å; R530-Y586 PolarHBondContact NH1-OH 3.32Å; R530-D591 PolarHBondContact N-OD1 2.93Å |
| 531 | D | 72.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | trans | -136.1 | 50.2 | 173.3 | -164.4 | 48.7 | 0 | 0 | 0 | 111.9 | H529 K533 N536 F555 T572 | H529-D531 PolarHBondContact CE1-O 3.4Å; H529-D531 VanDerWaalsContact CE1-O 3.31Å; H529-D531 VanDerWaalsContact ND1-C 3.32Å; H529-D531 PolarHBondContact ND1-N 3.46Å; H529-D531 PolarHBondContact ND1-O 2.85Å; H529-D531 PolarHBondContact O-N 3.48Å; D531-K533 PolarHBondContact O-N 3.08Å; D531-K533 IonicContact OD1-NZ 3.39Å; D531-K533 IonicContact OD2-NZ 3.67Å; D531-K533 PolarHBondContact OD2-NZ 3.04Å; D531-N536 PolarHBondContact O-ND2 3.4Å; D531-N536 PolarHBondContact OD2-ND2 2.83Å; D531-F555 HydrophobicContact CB-CB 3.78Å; D531-F555 HydrophobicContact CB-CD2 3.71Å; D531-F555 HydrophobicContact CB-CG 4.02Å; D531-T572 VanDerWaalsContact OD1-CB 3.31Å; D531-T572 WeakPolarHBondContact OD1-CB 3.35Å; D531-T572 PolarHBondContact OD1-OG1 3.4Å | ||
| 532 | L | 76.5 | Confident | 82.8 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | trans | -75.1 | 119.2 | 171 | -69.4 | 172.5 | 0 | 0 | 0 | 109.4 | V519 H529 I550 D591 L595 I598 | V519-L532 HydrophobicContact CG1-CD1 4.19Å; V519-L532 HydrophobicContact CG2-CD1 3.62Å; V519-L532 HydrophobicContact CG2-CD2 4.18Å; H529-L532 HydrophobicContact CB-CD1 4.47Å; H529-L532 HydrophobicContact CB-CD2 4.17Å; H529-L532 HydrophobicContact CB-CG 4Å; H529-L532 WeakPolarHBondContact ND1-CD2 3.14Å; H529-L532 PolarHBondContact ND1-N 2.98Å; L532-I550 HydrophobicContact CD2-CD1 4.03Å; L532-I550 HydrophobicContact CD2-CG2 4.26Å; L532-D591 HydrophobicContact CD1-CB 3.7Å; L532-L595 HydrophobicContact CD1-CG 4.23Å; L532-I598 HydrophobicContact CB-CD1 4.22Å | ||
| 533 | K | 74.6 | Confident | 82.5 | Confident | 28 Ų | 28 | 32 Ų | 32 | 12% | 0.122 | 17% | 0.174 | C | C | . | . | trans | -157 | 155.8 | -179.8 | 63.1 | 176.8 | -167 | -95.9 | 0 | 109.8 | D531 E535 N536 T572 Y575 | D531-K533 PolarHBondContact O-N 3.08Å; D531-K533 IonicContact OD1-NZ 3.39Å; D531-K533 IonicContact OD2-NZ 3.67Å; D531-K533 PolarHBondContact OD2-NZ 3.04Å; K533-E535 VanDerWaalsContact C-N 3.25Å; K533-E535 WeakPolarHBondContact CB-OE2 3.42Å; K533-E535 HydrophobicContact CD-CB 4.43Å; K533-E535 WeakPolarHBondContact CD-OE2 3.48Å; K533-E535 HydrophobicContact CG-CB 4.46Å; K533-E535 VanDerWaalsContact CG-OE2 3.31Å; K533-E535 WeakPolarHBondContact CG-OE2 3.45Å; K533-E535 PolarHBondContact O-N 3.44Å; K533-N536 VanDerWaalsContact CE-OD1 3.27Å; K533-N536 WeakPolarHBondContact CE-OD1 3.29Å; K533-N536 HydrophobicContact CG-CB 4.08Å; K533-N536 PolarHBondContact NZ-ND2 2.7Å; K533-N536 VanDerWaalsContact NZ-ND2 3.1Å; K533-N536 PolarHBondContact NZ-OD1 3.47Å; K533-N536 VanDerWaalsContact NZ-OD1 3.08Å; K533-N536 WeakPolarHBondContact O-CB 3.44Å; K533-N536 PolarHBondContact O-N 3.2Å; K533-T572 HydrophobicContact CD-CG2 4.36Å; K533-Y575 HydrophobicContact CB-CD2 3.57Å; K533-Y575 HydrophobicContact CB-CE2 3.51Å; K533-Y575 HydrophobicContact CB-CG 4.32Å | ||
| 534 | P | 70.1 | Confident | 81.8 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -58.1 | -31.3 | -175.7 | -25.5 | 34.8 | 0 | 0 | 0 | 115 | L494 N536 L537 Y575 I598 | L494-P534 HydrophobicContact CD1-CB 3.89Å; L494-P534 HydrophobicContact CD1-CG 4.03Å; L494-P534 HydrophobicContact CG-CB 3.87Å; L494-P534 HydrophobicContact CG-CG 4.32Å; P534-N536 PolarHBondContact O-N 3.19Å; P534-L537 WeakPolarHBondContact O-CB 3.27Å; P534-L537 PolarHBondContact O-N 2.86Å; P534-Y575 WeakPolarHBondContact CD-OH 3.45Å; P534-Y575 WeakPolarHBondContact CG-OH 3.32Å; P534-I598 HydrophobicContact CG-CG1 4.35Å |
| 535 | E | 72.1 | Confident | 81.2 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -66.7 | -18.5 | 176.6 | -52.3 | 94.6 | 139.8 | 0 | 0 | 112.5 | K533 | K533-E535 VanDerWaalsContact C-N 3.25Å; K533-E535 WeakPolarHBondContact CB-OE2 3.42Å; K533-E535 HydrophobicContact CD-CB 4.43Å; K533-E535 WeakPolarHBondContact CD-OE2 3.48Å; K533-E535 HydrophobicContact CG-CB 4.46Å; K533-E535 VanDerWaalsContact CG-OE2 3.31Å; K533-E535 WeakPolarHBondContact CG-OE2 3.45Å; K533-E535 PolarHBondContact O-N 3.44Å |
| 536 | N | 81.9 | Confident | 81.1 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -96.5 | 10.6 | 175.6 | -70.1 | -3.2 | 0 | 0 | 0 | 112.2 | D531 K533 P534 I551 D552 | D531-N536 PolarHBondContact O-ND2 3.4Å; D531-N536 PolarHBondContact OD2-ND2 2.83Å; K533-N536 VanDerWaalsContact CE-OD1 3.27Å; K533-N536 WeakPolarHBondContact CE-OD1 3.29Å; K533-N536 HydrophobicContact CG-CB 4.08Å; K533-N536 PolarHBondContact NZ-ND2 2.7Å; K533-N536 VanDerWaalsContact NZ-ND2 3.1Å; K533-N536 PolarHBondContact NZ-OD1 3.47Å; K533-N536 VanDerWaalsContact NZ-OD1 3.08Å; K533-N536 WeakPolarHBondContact O-CB 3.44Å; K533-N536 PolarHBondContact O-N 3.2Å; P534-N536 PolarHBondContact O-N 3.19Å; N536-I551 WeakPolarHBondContact O-CG1 3.28Å; N536-I551 PolarHBondContact O-N 3.14Å; N536-D552 HydrophobicContact CB-CB 4.45Å |
| 537 | L | 85.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 106 | -177 | -58.9 | -177.2 | 0 | 0 | 0 | 111.7 | L493 L515 P534 I548 I550 I598 | L493-L537 HydrophobicContact CB-CB 4.13Å; L493-L537 HydrophobicContact CD2-CB 4.48Å; L493-L537 HydrophobicContact CD2-CD1 3.68Å; L493-L537 PolarHBondContact N-O 3.04Å; L515-L537 HydrophobicContact CD1-CD1 3.88Å; L515-L537 HydrophobicContact CD2-CD1 3.83Å; L515-L537 HydrophobicContact CD2-CD2 3.55Å; L515-L537 HydrophobicContact CD2-CG 4.31Å; P534-L537 WeakPolarHBondContact O-CB 3.27Å; P534-L537 PolarHBondContact O-N 2.86Å; L537-I548 HydrophobicContact CB-CD1 4.17Å; L537-I548 HydrophobicContact CB-CG1 4.42Å; L537-I550 HydrophobicContact CD2-CB 4.34Å; L537-I550 HydrophobicContact CD2-CG1 3.53Å; L537-I598 HydrophobicContact CD1-CD1 4.22Å; L537-I598 HydrophobicContact CD1-CG2 4.23Å |
| 538 | L | 86.6 | Confident | 81.6 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 150.6 | -178.9 | -86.7 | 63.7 | 0 | 0 | 0 | 111.8 | L488 G491 E492 I548 K549 I551 | L488-L538 HydrophobicContact CB-CB 4.21Å; L488-L538 HydrophobicContact CB-CD2 4.25Å; L488-L538 HydrophobicContact CD1-CB 3.85Å; G491-L538 WeakPolarHBondContact O-CA 3.49Å; E492-L538 HydrophobicContact CG-CD1 4.03Å; L538-I548 CarbonylContact O-C 3.53Å; L538-K549 PolarHBondContact N-O 2.73Å; L538-K549 PolarHBondContact O-N 3.43Å; L538-I551 HydrophobicContact CB-CG2 4.19Å; L538-I551 HydrophobicContact CD1-CD1 3.64Å; L538-I551 HydrophobicContact CD1-CG1 4.1Å; L538-I551 HydrophobicContact CD2-CD1 4.21Å; L538-I551 HydrophobicContact CG-CD1 4.5Å |
| 539 | F | 90.3 | Very high | 82.2 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 147.7 | 170.8 | -78.2 | -88.2 | 0 | 0 | 0 | 111.9 | G490 G491 L493 R496 I511 D541 E547 I548 | G490-F539 VanDerWaalsContact CA-O 3.26Å; G490-F539 WeakPolarHBondContact CA-O 3.39Å; G490-F539 PolarHBondContact N-O 3.04Å; G491-F539 PolarHBondContact O-N 2.95Å; L493-F539 HydrophobicContact CD1-CE2 3.95Å; L493-F539 HydrophobicContact CD1-CZ 4.3Å; R496-F539 HydrophobicContact CB-CD2 4.21Å; R496-F539 HydrophobicContact CB-CE2 4.17Å; R496-F539 VanDerWaalsContact CD-CE2 3.41Å; R496-F539 HydrophobicContact CG-CD2 4.42Å; R496-F539 HydrophobicContact CG-CE2 4.43Å; R496-F539 VanDerWaalsContact NH1-CB 3.34Å; I511-F539 HydrophobicContact CD1-CZ 4.11Å; I511-F539 HydrophobicContact CG1-CZ 4.38Å; F539-D541 PolarHBondContact O-N 3.22Å; F539-E547 CarbonylContact C-O 3.49Å; F539-E547 WeakPolarHBondContact CA-O 3.38Å; F539-I548 HydrophobicContact CD1-CB 4.26Å; F539-I548 HydrophobicContact CE1-CB 4.04Å; F539-I548 HydrophobicContact CE2-CD1 4.19Å; F539-I548 HydrophobicContact CE2-CG1 4.47Å; F539-I548 HydrophobicContact CZ-CB 4.33Å; F539-I548 HydrophobicContact CZ-CD1 4.16Å; F539-I548 HydrophobicContact CZ-CG1 4.44Å |
| 540 | T | 89.5 | Confident | 82.6 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -59.3 | -41.6 | 179.9 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | L488 G489 S546 E547 K549 | L488-T540 HydrophobicContact CD2-CG2 3.99Å; G489-T540 PolarHBondContact N-O 3.31Å; T540-S546 PolarHBondContact N-OG 3.11Å; T540-S546 VanDerWaalsContact N-OG 3.08Å; T540-S546 PolarHBondContact OG1-OG 2.88Å; T540-E547 HydrophobicContact CG2-CB 3.97Å; T540-E547 PolarHBondContact N-O 3.48Å; T540-E547 PolarHBondContact OG1-N 3.2Å; T540-E547 VanDerWaalsContact OG1-N 3.14Å; T540-K549 HydrophobicContact CG2-CD 3.8Å |
| 541 | D | 88.2 | Confident | 83.1 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -160.6 | 177.9 | -166.3 | 60.4 | 86.4 | 0 | 0 | 0 | 110 | G490 R496 F539 S543 S546 | G490-D541 VanDerWaalsContact CA-C 3.46Å; G490-D541 WeakPolarHBondContact CA-O 3.03Å; R496-D541 PolarHBondContact NH1-O 2.85Å; R496-D541 PolarHBondContact NH2-O 3.28Å; F539-D541 PolarHBondContact O-N 3.22Å; D541-S543 WeakPolarHBondContact OD1-CA 3.39Å; D541-S543 WeakPolarHBondContact OD1-CB 3.44Å; D541-S543 PolarHBondContact OD1-N 3.49Å; D541-S543 PolarHBondContact OD1-OG 2.89Å; D541-S546 PolarHBondContact N-OG 3.45Å; D541-S546 VanDerWaalsContact N-OG 3.13Å; D541-S546 WeakPolarHBondContact O-CB 3.38Å; D541-S546 PolarHBondContact O-OG 2.82Å; D541-S546 PolarHBondContact OD2-OG 3.31Å |
| 542 | E | 83.9 | Confident | 83.4 | Confident | 154 Ų | 154 | 44.8 Ų | 44.8 | 72% | 0.72 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -84.7 | 0.1 | -177 | -63.2 | -164.5 | 133 | 0 | 0 | 115.2 | R496 | R496-E542 PolarHBondContact NH2-O 2.96Š|
| 543 | S | 84.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -74 | 154.1 | -177.2 | 76.6 | 0 | 0 | 0 | 0 | 114.2 | R496 D541 N545 S546 | R496-S543 PolarHBondContact NH2-O 3.33Å; D541-S543 WeakPolarHBondContact OD1-CA 3.39Å; D541-S543 WeakPolarHBondContact OD1-CB 3.44Å; D541-S543 PolarHBondContact OD1-N 3.49Å; D541-S543 PolarHBondContact OD1-OG 2.89Å; S543-N545 PolarHBondContact O-N 3.26Å; S543-N545 VanDerWaalsContact O-N 3.15Å; S543-S546 VanDerWaalsContact O-CB 3.26Å; S543-S546 WeakPolarHBondContact O-CB 3.43Å; S543-S546 PolarHBondContact O-N 3.15Å; S543-S546 VanDerWaalsContact O-N 3.11Å; S543-S546 PolarHBondContact OG-N 3.15Å |
| 544 | E | 74 | Confident | 83.1 | Confident | 178 Ų | 178 | 44 Ų | 44 | 83% | 0.832 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.8 | -177.6 | -60.5 | -172.5 | 144.6 | 0 | 0 | 113.8 | ||
| 545 | N | 77.1 | Confident | 82.9 | Confident | 145 Ų | 145 | 47.7 Ų | 47.7 | 78% | 0.775 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.7 | -179.8 | -68 | -45.6 | 0 | 0 | 0 | 114.2 | S543 | S543-N545 PolarHBondContact O-N 3.26Å; S543-N545 VanDerWaalsContact O-N 3.15Å |
| 546 | S | 86.7 | Confident | 82.8 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -51.2 | 142.8 | -176.5 | 176.8 | 0 | 0 | 0 | 0 | 113.6 | R496 T540 D541 S543 | R496-S546 VanDerWaalsContact NH2-CB 3.28Å; T540-S546 PolarHBondContact N-OG 3.11Å; T540-S546 VanDerWaalsContact N-OG 3.08Å; T540-S546 PolarHBondContact OG1-OG 2.88Å; D541-S546 PolarHBondContact N-OG 3.45Å; D541-S546 VanDerWaalsContact N-OG 3.13Å; D541-S546 WeakPolarHBondContact O-CB 3.38Å; D541-S546 PolarHBondContact O-OG 2.82Å; D541-S546 PolarHBondContact OD2-OG 3.31Å; S543-S546 VanDerWaalsContact O-CB 3.26Å; S543-S546 WeakPolarHBondContact O-CB 3.43Å; S543-S546 PolarHBondContact O-N 3.15Å; S543-S546 VanDerWaalsContact O-N 3.11Å; S543-S546 PolarHBondContact OG-N 3.15Å |
| 547 | E | 89.3 | Confident | 82.2 | Confident | 64 Ų | 64 | 47 Ų | 47 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -80.4 | 137.1 | 176.4 | -72.1 | -55.8 | 140.2 | 0 | 0 | 111.7 | N467 K514 F539 T540 | N467-E547 PolarHBondContact ND2-OE2 3.1Å; K514-E547 VanDerWaalsContact CD-OE2 3.32Å; K514-E547 WeakPolarHBondContact CD-OE2 3.34Å; K514-E547 VanDerWaalsContact CE-OE2 3.25Å; K514-E547 WeakPolarHBondContact CE-OE2 3.3Å; K514-E547 IonicContact NZ-OE1 2.73Å; K514-E547 PolarHBondContact NZ-OE1 2.76Å; K514-E547 IonicContact NZ-OE2 2.7Å; K514-E547 PolarHBondContact NZ-OE2 2.96Å; F539-E547 CarbonylContact C-O 3.49Å; F539-E547 WeakPolarHBondContact CA-O 3.38Å; T540-E547 HydrophobicContact CG2-CB 3.97Å; T540-E547 PolarHBondContact N-O 3.48Å; T540-E547 PolarHBondContact OG1-N 3.2Å; T540-E547 VanDerWaalsContact OG1-N 3.14Å |
| 548 | I | 92.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.1 | 171.2 | -164.6 | 169.7 | 0 | 0 | 0 | 109.6 | N467 L493 I511 K514 L515 L537 L538 F539 | N467-I548 VanDerWaalsContact CA-O 3.28Å; N467-I548 WeakPolarHBondContact CA-O 3.18Å; N467-I548 VanDerWaalsContact CB-O 3.24Å; N467-I548 WeakPolarHBondContact CB-O 3.28Å; N467-I548 PolarHBondContact ND2-O 2.84Å; L493-I548 HydrophobicContact CB-CD1 4.44Å; L493-I548 HydrophobicContact CD1-CD1 3.92Å; L493-I548 HydrophobicContact CD2-CD1 4.35Å; L493-I548 HydrophobicContact CG-CD1 4.46Å; I511-I548 HydrophobicContact CG2-CD1 3.71Å; K514-I548 HydrophobicContact CB-CG2 3.81Å; K514-I548 HydrophobicContact CD-CG2 4.13Å; L515-I548 HydrophobicContact CD2-CD1 4.24Å; L515-I548 HydrophobicContact CD2-CG2 4.34Å; L537-I548 HydrophobicContact CB-CD1 4.17Å; L537-I548 HydrophobicContact CB-CG1 4.42Å; L538-I548 CarbonylContact O-C 3.53Å; F539-I548 HydrophobicContact CD1-CB 4.26Å; F539-I548 HydrophobicContact CE1-CB 4.04Å; F539-I548 HydrophobicContact CE2-CD1 4.19Å; F539-I548 HydrophobicContact CE2-CG1 4.47Å; F539-I548 HydrophobicContact CZ-CB 4.33Å; F539-I548 HydrophobicContact CZ-CD1 4.16Å; F539-I548 HydrophobicContact CZ-CG1 4.44Å |
| 549 | K | 93.5 | Very high | 80.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 141 | -177.2 | -79.1 | 167.2 | 172 | -83.4 | 0 | 112 | P466 N467 I468 E486 L488 L538 T540 | P466-K549 WeakPolarHBondContact O-CE 3.28Å; P466-K549 WeakPolarHBondContact O-CG 3.48Å; P466-K549 PolarHBondContact O-NZ 2.73Å; N467-K549 WeakPolarHBondContact O-CA 3.4Å; I468-K549 PolarHBondContact O-NZ 2.94Å; E486-K549 WeakPolarHBondContact OE1-CD 3.47Å; E486-K549 WeakPolarHBondContact OE1-CE 3.43Å; E486-K549 IonicContact OE1-NZ 3.36Å; E486-K549 PolarHBondContact OE1-NZ 2.56Å; E486-K549 WeakPolarHBondContact OE2-CE 2.98Å; E486-K549 IonicContact OE2-NZ 2.68Å; E486-K549 PolarHBondContact OE2-NZ 2.79Å; L488-K549 HydrophobicContact CD1-CB 3.92Å; L488-K549 HydrophobicContact CD1-CD 4.2Å; L488-K549 HydrophobicContact CD2-CD 3.59Å; L538-K549 PolarHBondContact N-O 2.73Å; L538-K549 PolarHBondContact O-N 3.43Å; T540-K549 HydrophobicContact CG2-CD 3.8Å |
| 550 | I | 91.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.7 | 172.8 | -60.2 | 166.4 | 0 | 0 | 0 | 109.1 | N467 V469 L515 A518 V519 M522 H529 L532 L537 F553 | N467-I550 PolarHBondContact O-N 3.22Å; N467-I550 VanDerWaalsContact O-N 3.08Å; V469-I550 WeakPolarHBondContact CB-O 3.48Å; V469-I550 WeakPolarHBondContact CG1-O 3.28Å; V469-I550 PolarHBondContact N-O 2.84Å; L515-I550 HydrophobicContact CD2-CG1 4.29Å; A518-I550 HydrophobicContact CB-CD1 3.69Å; V519-I550 HydrophobicContact CG2-CD1 4.05Å; M522-I550 HydrophobicContact CE-CB 4.24Å; M522-I550 HydrophobicContact CE-CD1 3.38Å; M522-I550 HydrophobicContact CE-CG1 4.39Å; M522-I550 HydrophobicContact CE-CG2 4.14Å; H529-I550 VanDerWaalsContact NE2-CG2 3.31Å; H529-I550 WeakPolarHBondContact NE2-CG2 3.45Å; L532-I550 HydrophobicContact CD2-CD1 4.03Å; L532-I550 HydrophobicContact CD2-CG2 4.26Å; L537-I550 HydrophobicContact CD2-CB 4.34Å; L537-I550 HydrophobicContact CD2-CG1 3.53Å; I550-F553 HydrophobicContact CG2-CE2 4.18Å; I550-F553 HydrophobicContact CG2-CZ 4.46Å |
| 551 | I | 82.7 | Confident | 77.3 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | trans | -113.8 | -16.7 | -165.9 | 63.2 | 148.4 | 0 | 0 | 0 | 117.9 | V469 L488 N536 L538 | V469-I551 HydrophobicContact CB-CG2 4.25Å; V469-I551 HydrophobicContact CG2-CG2 4.46Å; L488-I551 HydrophobicContact CD1-CG2 3.5Å; N536-I551 WeakPolarHBondContact O-CG1 3.28Å; N536-I551 PolarHBondContact O-N 3.14Å; L538-I551 HydrophobicContact CB-CG2 4.19Å; L538-I551 HydrophobicContact CD1-CD1 3.64Å; L538-I551 HydrophobicContact CD1-CG1 4.1Å; L538-I551 HydrophobicContact CD2-CD1 4.21Å; L538-I551 HydrophobicContact CG-CD1 4.5Å | ||
| 552 | D | 80.1 | Confident | 75.6 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | trans | -126.2 | 91.1 | -172.4 | -172.4 | 17.8 | 0 | 0 | 0 | 114.1 | K442 H529 N536 G554 | K442-D552 IonicContact NZ-OD1 3.9Å; K442-D552 PolarHBondContact NZ-OD1 3.27Å; H529-D552 PolarHBondContact CE1-O 3.23Å; H529-D552 PolarHBondContact NE2-O 3.02Å; N536-D552 HydrophobicContact CB-CB 4.45Å; D552-G554 PolarHBondContact O-N 2.99Å; D552-G554 PolarHBondContact OD1-N 3.2Å | ||
| 553 | F | 80.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -84 | 11 | 175.2 | -70.5 | -106 | 0 | 0 | 0 | 113 | E455 A458 L459 I468 V469 M522 I550 F555 A556 | E455-F553 HydrophobicContact CG-CB 3.97Å; A458-F553 HydrophobicContact CB-CD1 4.03Å; L459-F553 HydrophobicContact CD2-CB 4.39Å; L459-F553 HydrophobicContact CD2-CD2 3.42Å; L459-F553 VanDerWaalsContact CD2-CD2 3.42Å; L459-F553 HydrophobicContact CD2-CE2 3.77Å; L459-F553 HydrophobicContact CD2-CG 3.91Å; L459-F553 HydrophobicContact CD2-CZ 4.49Å; L459-F553 HydrophobicContact CG-CB 4.19Å; L459-F553 HydrophobicContact CG-CD2 4.14Å; L459-F553 HydrophobicContact CG-CG 4.15Å; I468-F553 HydrophobicContact CD1-CZ 4.28Å; I468-F553 HydrophobicContact CG1-CZ 4.4Å; I468-F553 HydrophobicContact CG2-CE2 3.83Å; I468-F553 HydrophobicContact CG2-CZ 3.61Å; V469-F553 HydrophobicContact CG1-CE2 4.5Å; M522-F553 HydrophobicContact CE-CE1 3.89Å; M522-F553 HydrophobicContact CE-CZ 3.6Å; M522-F553 HydrophobicContact CG-CE1 4.27Å; M522-F553 HydrophobicContact SD-CE1 3.67Å; M522-F553 HydrophobicContact SD-CZ 4.04Å; I550-F553 HydrophobicContact CG2-CE2 4.18Å; I550-F553 HydrophobicContact CG2-CZ 4.46Å; F553-F555 PolarHBondContact O-N 3Å; F553-A556 HydrophobicContact CB-CB 4.11Å; F553-A556 HydrophobicContact CD1-CB 4.07Å; F553-A556 VanDerWaalsContact O-CB 3.28Å; F553-A556 WeakPolarHBondContact O-CB 3.28Å; F553-A556 PolarHBondContact O-N 3.31Å |
| 554 | G | 64.7 | Low | 72 | Confident | 14 Ų | 14 | 62 Ų | 62 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59 | -19.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q451 D552 | Q451-G554 PolarHBondContact NE2-O 3.34Å; D552-G554 PolarHBondContact O-N 2.99Å; D552-G554 PolarHBondContact OD1-N 3.2Å |
| 555 | F | 64.6 | Low | 70.5 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -105.8 | 0.3 | 172.9 | -69.7 | -74.1 | 0 | 0 | 0 | 115 | H529 R530 D531 F553 C570 | H529-F555 CarbonylContact O-C 3.52Å; R530-F555 PolarHBondContact NE-O 3.41Å; R530-F555 PolarHBondContact NH2-O 2.92Å; D531-F555 HydrophobicContact CB-CB 3.78Å; D531-F555 HydrophobicContact CB-CD2 3.71Å; D531-F555 HydrophobicContact CB-CG 4.02Å; F553-F555 PolarHBondContact O-N 3Å; F555-C570 HydrophobicContact CD1-CB 3.62Å; F555-C570 HydrophobicContact CE1-CB 3.96Å |
| 556 | A | 70.3 | Confident | 69 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | trans | -61.9 | 154.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A458 V527 V528 F553 | A458-A556 HydrophobicContact CB-CB 3.89Å; V527-A556 HydrophobicContact CG1-CB 4.19Å; V528-A556 CarbonylContact O-C 3.57Å; V528-A556 VanDerWaalsContact O-CA 3.32Å; V528-A556 WeakPolarHBondContact O-CA 3.2Å; F553-A556 HydrophobicContact CB-CB 4.11Å; F553-A556 HydrophobicContact CD1-CB 4.07Å; F553-A556 VanDerWaalsContact O-CB 3.28Å; F553-A556 WeakPolarHBondContact O-CB 3.28Å; F553-A556 PolarHBondContact O-N 3.31Å | ||
| 557 | R | 70.6 | Confident | 66.6 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 15% | 0.151 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.9 | 173.8 | -74.3 | -65.3 | 179 | -94.5 | 8.7 | 111.8 | V527 V528 | V527-R557 WeakPolarHBondContact CA-O 3.24Å; V528-R557 PolarHBondContact N-O 2.89Å; V528-R557 PolarHBondContact O-N 3.07Å |
| 558 | L | 73.1 | Confident | 64 | Low | 83 Ų | 83 | 60.8 Ų | 60.8 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140 | 167 | -52.6 | -177.2 | 0 | 0 | 0 | 109.5 | L461 G526 V527 | L461-L558 HydrophobicContact CD1-CD1 4.43Å; L461-L558 HydrophobicContact CD1-CD2 3.59Å; G526-L558 CarbonylContact O-C 3.59Å; G526-L558 WeakPolarHBondContact O-CA 3.29Å; V527-L558 HydrophobicContact CG2-CD2 3.68Å |
| 559 | K | 66.6 | Low | 61.1 | Low | 75 Ų | 75 | 64.9 Ų | 64.9 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.9 | 177 | -167.3 | 162.7 | 179.2 | 167.3 | 0 | 110.3 | G526 N563 E588 | G526-K559 WeakPolarHBondContact O-CB 3.11Å; G526-K559 PolarHBondContact O-N 3.42Å; K559-N563 WeakPolarHBondContact CE-OD1 3.3Å; K559-E588 IonicContact NZ-OE1 2.66Å; K559-E588 PolarHBondContact NZ-OE1 3.13Å; K559-E588 IonicContact NZ-OE2 3.63Å; K559-E588 PolarHBondContact NZ-OE2 2.98Å |
| 560 | P | 57.9 | Low | 58.4 | Low | 43 Ų | 43 | 65.6 Ų | 65.6 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 144.5 | 175.7 | -20.5 | 33.9 | 0 | 0 | 0 | 110.9 | D562 N563 L566 | P560-D562 PolarHBondContact O-N 3.09Å; P560-N563 PolarHBondContact O-N 3.39Å; P560-N563 VanDerWaalsContact O-N 3.16Å; P560-L566 HydrophobicContact CG-CD2 3.96Å |
| 561 | P | 50 | Low | 56 | Low | 129 Ų | 129 | 67.4 Ų | 67.4 | 84% | 0.838 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31 | -175.2 | 23.4 | -33.8 | 0 | 0 | 0 | 113.5 | N563 | P561-N563 VanDerWaalsContact C-N 3.25Å; P561-N563 PolarHBondContact O-N 3.22Å |
| 562 | D | 52.7 | Low | 53.8 | Low | 116 Ų | 116 | 66.4 Ų | 66.4 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 16.2 | -177.9 | -54.6 | -28.4 | 0 | 0 | 0 | 113.7 | P560 Q564 | P560-D562 PolarHBondContact O-N 3.09Å; D562-Q564 HydrophobicContact CB-CG 3.93Å; D562-Q564 PolarHBondContact O-N 2.96Å; D562-Q564 PolarHBondContact OD2-NE2 3.37Å; D562-Q564 VanDerWaalsContact OD2-NE2 3.1Å |
| 563 | N | 49.3 | Very low | 51.7 | Low | 116 Ų | 116 | 65.6 Ų | 65.6 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | trans | 56.3 | 22.3 | -177.7 | -152.1 | 38.2 | 0 | 0 | 0 | 114.4 | K559 P560 P561 | K559-N563 WeakPolarHBondContact CE-OD1 3.3Å; P560-N563 PolarHBondContact O-N 3.39Å; P560-N563 VanDerWaalsContact O-N 3.16Å; P561-N563 VanDerWaalsContact C-N 3.25Å; P561-N563 PolarHBondContact O-N 3.22Å | ||
| 564 | Q | 43.6 | Very low | 49.4 | Very low | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 135 | -177.2 | -69.6 | 179.5 | 42.2 | 0 | 0 | 112.1 | D562 | D562-Q564 HydrophobicContact CB-CG 3.93Å; D562-Q564 PolarHBondContact O-N 2.96Å; D562-Q564 PolarHBondContact OD2-NE2 3.37Å; D562-Q564 VanDerWaalsContact OD2-NE2 3.1Å |
| 565 | L | 44.2 | Very low | 48.2 | Very low | 97 Ų | 97 | 65.7 Ų | 65.7 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 135 | 177.7 | -63.5 | 172.1 | 0 | 0 | 0 | 112.5 | D587 | L565-D587 HydrophobicContact CD2-CB 4.39Š|
| 566 | L | 44.9 | Very low | 47 | Very low | 24 Ų | 24 | 61.9 Ų | 61.9 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 127.4 | -176.6 | -69.3 | 168.8 | 0 | 0 | 0 | 110.9 | P560 G585 Y586 | P560-L566 HydrophobicContact CG-CD2 3.96Å; L566-G585 VanDerWaalsContact O-CA 3.26Å; L566-G585 WeakPolarHBondContact O-CA 3.19Å; L566-Y586 HydrophobicContact CB-CD2 3.91Å; L566-Y586 HydrophobicContact CB-CE1 4.06Å; L566-Y586 HydrophobicContact CB-CE2 3.33Å; L566-Y586 HydrophobicContact CB-CG 4.45Å; L566-Y586 HydrophobicContact CD1-CD2 4.25Å; L566-Y586 HydrophobicContact CD1-CE2 3.57Å; L566-Y586 HydrophobicContact CG-CE2 4.09Å; L566-Y586 PolarHBondContact N-O 3.35Å; L566-Y586 VanDerWaalsContact O-CD1 3.26Å; L566-Y586 WeakPolarHBondContact O-CD1 3.42Å; L566-Y586 WeakPolarHBondContact O-CE1 3.32Å; L566-Y586 PolarHBondContact O-N 3Å; L566-Y586 VanDerWaalsContact O-N 3.1Å |
| 567 | K | 36.3 | Very low | 45.6 | Very low | 173 Ų | 173 | 61.8 Ų | 61.8 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | trans | -105.9 | 9.7 | -171.6 | -58.4 | -177.4 | -176.3 | 174 | 0 | 114.9 | P569 | K567-P569 WeakPolarHBondContact O-CD 3.28Š| ||
| 568 | T | 34.3 | Very low | 44.7 | Very low | 75 Ų | 75 | 59.9 Ų | 59.9 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | trans | -109 | 102.4 | -174 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | R530 C570 Y586 | R530-T568 PolarHBondContact NH1-O 3.42Å; T568-C570 PolarHBondContact O-N 3.03Å; T568-Y586 PolarHBondContact O-OH 3.21Å | ||
| 569 | P | 31.4 | Very low | 43.8 | Very low | 87 Ų | 87 | 56.7 Ų | 56.7 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | trans | -75.8 | 113.7 | -175.3 | 29.1 | -34.2 | 0 | 0 | 0 | 112.2 | K567 | K567-P569 WeakPolarHBondContact O-CD 3.28Š| ||
| 570 | C | 38 | Very low | 43 | Very low | 34 Ų | 34 | 54.4 Ų | 54.4 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | trans | -148.2 | 104.6 | 169.4 | -45.3 | 0 | 0 | 0 | 0 | 108.7 | F555 T568 | F555-C570 HydrophobicContact CD1-CB 3.62Å; F555-C570 HydrophobicContact CE1-CB 3.96Å; T568-C570 PolarHBondContact O-N 3.03Å | ||
| 571 | F | 40.2 | Very low | 42.3 | Very low | 37 Ų | 37 | 54 Ų | 54 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | trans | -155.4 | 149.5 | -174.3 | -60.8 | -85.8 | 0 | 0 | 0 | 111.3 | R530 A576 I580 Y586 C590 | R530-F571 HydrophobicContact CB-CD1 4.03Å; R530-F571 HydrophobicContact CB-CE1 3.64Å; R530-F571 HydrophobicContact CB-CZ 4.36Å; R530-F571 HydrophobicContact CG-CE1 4.05Å; R530-F571 HydrophobicContact CG-CZ 4.48Å; R530-F571 WeakPolarHBondContact O-CD1 3.36Å; F571-A576 HydrophobicContact CB-CB 3.99Å; F571-I580 HydrophobicContact CD1-CD1 3.62Å; F571-I580 HydrophobicContact CD2-CB 4.45Å; F571-I580 HydrophobicContact CD2-CD1 3.86Å; F571-I580 HydrophobicContact CD2-CG1 4.26Å; F571-I580 HydrophobicContact CD2-CG2 3.38Å; F571-I580 HydrophobicContact CE1-CD1 3.54Å; F571-I580 HydrophobicContact CE1-CG1 4.37Å; F571-I580 HydrophobicContact CE2-CB 4.37Å; F571-I580 HydrophobicContact CE2-CD1 3.77Å; F571-I580 HydrophobicContact CE2-CG1 3.87Å; F571-I580 HydrophobicContact CE2-CG2 3.56Å; F571-I580 HydrophobicContact CG-CD1 3.78Å; F571-I580 HydrophobicContact CG-CG2 4.15Å; F571-I580 HydrophobicContact CZ-CD1 3.6Å; F571-I580 HydrophobicContact CZ-CG1 3.93Å; F571-I580 HydrophobicContact CZ-CG2 4.45Å; F571-Y586 HydrophobicContact CE1-CE2 4.47Å; F571-Y586 AromaticContact CE2-CD1 3.84Å; F571-Y586 HydrophobicContact CE2-CD1 3.84Å; F571-Y586 AromaticContact CE2-CE1 3.62Å; F571-Y586 HydrophobicContact CE2-CE1 3.62Å; F571-Y586 HydrophobicContact CE2-CE2 4.37Å; F571-Y586 HydrophobicContact CE2-CG 4.33Å; F571-Y586 AromaticContact CE2-CZ 3.93Å; F571-Y586 AromaticContact CZ-CD1 3.77Å; F571-Y586 HydrophobicContact CZ-CD1 3.77Å; F571-Y586 AromaticContact CZ-CD2 3.68Å; F571-Y586 HydrophobicContact CZ-CD2 3.68Å; F571-Y586 AromaticContact CZ-CE1 3.66Å; F571-Y586 HydrophobicContact CZ-CE1 3.66Å; F571-Y586 AromaticContact CZ-CE2 3.58Å; F571-Y586 HydrophobicContact CZ-CE2 3.58Å; F571-Y586 AromaticContact CZ-CG 3.8Å; F571-Y586 HydrophobicContact CZ-CG 3.8Å; F571-Y586 AromaticContact CZ-CZ 3.59Å; F571-C590 HydrophobicContact CE1-CB 3.86Å; F571-C590 HydrophobicContact CZ-CB 4.46Å | ||
| 572 | T | 36.2 | Very low | 42 | Very low | 24 Ų | 24 | 53.8 Ų | 53.8 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | trans | -83 | 113 | 167.5 | -66.7 | 0 | 0 | 0 | 0 | 110 | D531 K533 Q574 Y575 A576 | D531-T572 VanDerWaalsContact OD1-CB 3.31Å; D531-T572 WeakPolarHBondContact OD1-CB 3.35Å; D531-T572 PolarHBondContact OD1-OG1 3.4Å; K533-T572 HydrophobicContact CD-CG2 4.36Å; T572-Q574 PolarHBondContact O-N 3.26Å; T572-Q574 VanDerWaalsContact O-N 3.13Å; T572-Y575 HydrophobicContact CG2-CD2 3.9Å; T572-Y575 HydrophobicContact CG2-CE2 4.44Å; T572-Y575 CarbonylContact O-C 3.54Å; T572-Y575 WeakPolarHBondContact O-CA 3.42Å; T572-Y575 PolarHBondContact O-N 3.39Å; T572-A576 PolarHBondContact O-N 3.1Å | ||
| 573 | L | 37.1 | Very low | 41.5 | Very low | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -51.7 | -42.1 | -161.3 | -176.6 | 71.6 | 0 | 0 | 0 | 116.3 | Y575 A576 L581 I628 T706 F710 | L573-Y575 PolarHBondContact O-N 3Å; L573-A576 VanDerWaalsContact O-CB 3.28Å; L573-A576 WeakPolarHBondContact O-CB 3.48Å; L573-A576 PolarHBondContact O-N 2.92Å; L573-L581 HydrophobicContact CD1-CD2 3.91Å; L573-I628 HydrophobicContact CG-CD1 4.36Å; L573-T706 HydrophobicContact CD2-CG2 4.47Å; L573-F710 HydrophobicContact CD1-CD2 3.72Å; L573-F710 HydrophobicContact CD1-CE2 3.65Å; L573-F710 HydrophobicContact CD1-CG 4.32Å; L573-F710 HydrophobicContact CD1-CZ 4.22Å; L573-F710 HydrophobicContact CD2-CB 3.62Å; L573-F710 HydrophobicContact CD2-CD2 3.37Å; L573-F710 HydrophobicContact CD2-CE2 4.19Å; L573-F710 HydrophobicContact CD2-CG 3.68Å; L573-F710 HydrophobicContact CG-CD2 4.2Å |
| 574 | Q | 31.7 | Very low | 40.9 | Very low | 9 Ų | 9 | 57.1 Ų | 57.1 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -67.8 | -22.4 | -177.6 | 73.6 | -159.8 | 28.4 | 0 | 0 | 112.9 | T572 V597 V607 | T572-Q574 PolarHBondContact O-N 3.26Å; T572-Q574 VanDerWaalsContact O-N 3.13Å; Q574-V597 WeakPolarHBondContact O-CG2 3.2Å; Q574-V607 HydrophobicContact CB-CG1 4.4Å |
| 575 | Y | 39.4 | Very low | 40.9 | Very low | 8 Ų | 8 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -96.5 | 5.3 | 171.8 | -58.3 | -75.6 | 0 | 0 | 0 | 112 | K533 P534 T572 L573 W593 S594 V597 I598 | K533-Y575 HydrophobicContact CB-CD2 3.57Å; K533-Y575 HydrophobicContact CB-CE2 3.51Å; K533-Y575 HydrophobicContact CB-CG 4.32Å; P534-Y575 WeakPolarHBondContact CD-OH 3.45Å; P534-Y575 WeakPolarHBondContact CG-OH 3.32Å; T572-Y575 HydrophobicContact CG2-CD2 3.9Å; T572-Y575 HydrophobicContact CG2-CE2 4.44Å; T572-Y575 CarbonylContact O-C 3.54Å; T572-Y575 WeakPolarHBondContact O-CA 3.42Å; T572-Y575 PolarHBondContact O-N 3.39Å; L573-Y575 PolarHBondContact O-N 3Å; Y575-W593 VanDerWaalsContact O-CD1 3.26Å; Y575-S594 PolarHBondContact O-OG 2.84Å; Y575-V597 HydrophobicContact CD1-CB 3.59Å; Y575-V597 HydrophobicContact CD1-CG1 3.61Å; Y575-V597 HydrophobicContact CE1-CB 3.77Å; Y575-V597 HydrophobicContact CE1-CG1 3.4Å; Y575-V597 HydrophobicContact CG-CG1 4.49Å; Y575-I598 HydrophobicContact CD1-CG1 4.01Å; Y575-I598 HydrophobicContact CE1-CG1 3.7Å |
| 576 | A | 38.6 | Very low | 41.4 | Very low | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | trans | -92.8 | 123.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F571 T572 L573 I580 W593 | F571-A576 HydrophobicContact CB-CB 3.99Å; T572-A576 PolarHBondContact O-N 3.1Å; L573-A576 VanDerWaalsContact O-CB 3.28Å; L573-A576 WeakPolarHBondContact O-CB 3.48Å; L573-A576 PolarHBondContact O-N 2.92Å; A576-I580 HydrophobicContact CB-CD1 4.07Å; A576-W593 PolarHBondContact O-NE1 3.38Å | ||
| 577 | A | 42.1 | Very low | 42 | Very low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -64.9 | 149.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | E579 I580 W593 | A577-E579 VanDerWaalsContact C-N 3.31Å; A577-E579 VanDerWaalsContact CB-CD 3.48Å; A577-E579 WeakPolarHBondContact CB-OE1 3.31Å; A577-E579 WeakPolarHBondContact CB-OE2 3.3Å; A577-E579 PolarHBondContact O-N 2.88Å; A577-I580 HydrophobicContact CB-CD1 4.19Å; A577-I580 VanDerWaalsContact O-CB 3.28Å; A577-I580 WeakPolarHBondContact O-CB 3.2Å; A577-I580 PolarHBondContact O-N 3.39Å; A577-I580 VanDerWaalsContact O-N 3.08Å; A577-W593 HydrophobicContact CB-CB 3.66Å; A577-W593 HydrophobicContact CB-CD2 4.02Å; A577-W593 HydrophobicContact CB-CE3 4.36Å; A577-W593 HydrophobicContact CB-CG 3.73Å | ||
| 578 | P | 50.2 | Low | 43.9 | Very low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -67 | -22 | -168.5 | -26.7 | 39.5 | 0 | 0 | 0 | 115.7 | I580 L581 W593 I628 V658 | P578-I580 VanDerWaalsContact C-N 3.29Å; P578-I580 PolarHBondContact O-N 3.25Å; P578-L581 WeakPolarHBondContact O-CB 3.41Å; P578-L581 PolarHBondContact O-N 2.78Å; P578-L581 VanDerWaalsContact O-N 3.16Å; P578-W593 HydrophobicContact CG-CE3 4.39Å; P578-W593 HydrophobicContact CG-CH2 3.43Å; P578-W593 VanDerWaalsContact CG-CH2 3.43Å; P578-W593 HydrophobicContact CG-CZ2 3.98Å; P578-W593 HydrophobicContact CG-CZ3 3.66Å; P578-I628 HydrophobicContact CG-CG2 4.05Å; P578-I628 VanDerWaalsContact CG-O 3.29Å; P578-I628 WeakPolarHBondContact CG-O 3.33Å; P578-V658 HydrophobicContact CB-CG1 3.98Å; P578-V658 HydrophobicContact CG-CB 4.28Å; P578-V658 HydrophobicContact CG-CG1 4.01Å; P578-V658 HydrophobicContact CG-CG2 4.29Å |
| 579 | E | 54.2 | Low | 45.9 | Very low | 17 Ų | 17 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -65.8 | -30.2 | 173.3 | 66.2 | -76.8 | 177.8 | 0 | 0 | 112.9 | A577 L581 K582 S589 P660 R663 | A577-E579 VanDerWaalsContact C-N 3.31Å; A577-E579 VanDerWaalsContact CB-CD 3.48Å; A577-E579 WeakPolarHBondContact CB-OE1 3.31Å; A577-E579 WeakPolarHBondContact CB-OE2 3.3Å; A577-E579 PolarHBondContact O-N 2.88Å; E579-L581 PolarHBondContact O-N 3.29Å; E579-K582 PolarHBondContact O-N 2.78Å; E579-S589 PolarHBondContact OE1-OG 2.98Å; E579-P660 HydrophobicContact CB-CG 3.92Å; E579-P660 HydrophobicContact CG-CB 4.13Å; E579-P660 HydrophobicContact CG-CG 3.92Å; E579-R663 IonicContact OE1-CZ 3.46Å; E579-R663 IonicContact OE1-NH1 2.99Å; E579-R663 PolarHBondContact OE1-NH1 2.91Å; E579-R663 IonicContact OE1-NH2 2.74Å; E579-R663 IonicContact OE2-CZ 2.82Å; E579-R663 IonicContact OE2-NH1 2.82Å; E579-R663 PolarHBondContact OE2-NH1 3.21Å; E579-R663 IonicContact OE2-NH2 3.26Å; E579-R663 PolarHBondContact OE2-NH2 3.27Å |
| 580 | I | 50.4 | Low | 47.9 | Very low | 26 Ų | 26 | 37.2 Ų | 37.2 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -60.5 | -28.4 | 173.2 | -61.1 | 165.2 | 0 | 0 | 0 | 110.7 | F571 A576 A577 P578 K582 Y586 C590 | F571-I580 HydrophobicContact CD1-CD1 3.62Å; F571-I580 HydrophobicContact CD2-CB 4.45Å; F571-I580 HydrophobicContact CD2-CD1 3.86Å; F571-I580 HydrophobicContact CD2-CG1 4.26Å; F571-I580 HydrophobicContact CD2-CG2 3.38Å; F571-I580 HydrophobicContact CE1-CD1 3.54Å; F571-I580 HydrophobicContact CE1-CG1 4.37Å; F571-I580 HydrophobicContact CE2-CB 4.37Å; F571-I580 HydrophobicContact CE2-CD1 3.77Å; F571-I580 HydrophobicContact CE2-CG1 3.87Å; F571-I580 HydrophobicContact CE2-CG2 3.56Å; F571-I580 HydrophobicContact CG-CD1 3.78Å; F571-I580 HydrophobicContact CG-CG2 4.15Å; F571-I580 HydrophobicContact CZ-CD1 3.6Å; F571-I580 HydrophobicContact CZ-CG1 3.93Å; F571-I580 HydrophobicContact CZ-CG2 4.45Å; A576-I580 HydrophobicContact CB-CD1 4.07Å; A577-I580 HydrophobicContact CB-CD1 4.19Å; A577-I580 VanDerWaalsContact O-CB 3.28Å; A577-I580 WeakPolarHBondContact O-CB 3.2Å; A577-I580 PolarHBondContact O-N 3.39Å; A577-I580 VanDerWaalsContact O-N 3.08Å; P578-I580 VanDerWaalsContact C-N 3.29Å; P578-I580 PolarHBondContact O-N 3.25Å; I580-K582 VanDerWaalsContact C-N 3.34Å; I580-Y586 HydrophobicContact CG1-CG 4.46Å; I580-C590 HydrophobicContact CD1-CB 3.83Å |
| 581 | L | 44.5 | Very low | 49.9 | Very low | 34 Ų | 34 | 35.6 Ų | 35.6 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -81.4 | -10.5 | 176.8 | -51.2 | -179.8 | 0 | 0 | 0 | 113.3 | L573 P578 E579 I628 K629 F710 | L573-L581 HydrophobicContact CD1-CD2 3.91Å; P578-L581 WeakPolarHBondContact O-CB 3.41Å; P578-L581 PolarHBondContact O-N 2.78Å; P578-L581 VanDerWaalsContact O-N 3.16Å; E579-L581 PolarHBondContact O-N 3.29Å; L581-I628 HydrophobicContact CD1-CB 4.5Å; L581-I628 HydrophobicContact CD1-CG2 3.81Å; L581-K629 HydrophobicContact CD1-CG 4.03Å; L581-F710 HydrophobicContact CD2-CE2 3.94Å; L581-F710 HydrophobicContact CD2-CZ 4Å |
| 582 | K | 42.1 | Very low | 52 | Low | 126 Ų | 126 | 34 Ų | 34 | 55% | 0.548 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -102 | 4.4 | -174.6 | -68.1 | 177.6 | -178.2 | 170.3 | 0 | 114.4 | E579 I580 N584 | E579-K582 PolarHBondContact O-N 2.78Å; I580-K582 VanDerWaalsContact C-N 3.34Å; K582-N584 PolarHBondContact O-N 3.1Å |
| 583 | Y | 42.7 | Very low | 54.2 | Low | 173 Ų | 173 | 32.9 Ų | 32.9 | 68% | 0.678 | 16% | 0.159 | S | C | * | . | S | Bend | trans | 61.5 | -12.2 | 175.7 | -87 | -86.3 | 0 | 0 | 0 | 118.1 | K714 | Y583-K714 WeakPolarHBondContact OH-CE 3.14Å; Y583-K714 PolarHBondContact OH-NZ 2.89Å |
| 584 | N | 36.1 | Very low | 56.3 | Low | 128 Ų | 128 | 32.2 Ų | 32.2 | 68% | 0.684 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -61.3 | 141.8 | 157.1 | -66.8 | -14.9 | 0 | 0 | 0 | 108.6 | K582 | K582-N584 PolarHBondContact O-N 3.1Š|
| 585 | G | 45 | Very low | 58.9 | Low | 18 Ų | 18 | 31.9 Ų | 31.9 | 19% | 0.186 | 15% | 0.154 | C | C | . | . | trans | -65.3 | 154 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L566 | L566-G585 VanDerWaalsContact O-CA 3.26Å; L566-G585 WeakPolarHBondContact O-CA 3.19Å | ||
| 586 | Y | 53.1 | Low | 61.1 | Low | 10 Ų | 10 | 31.5 Ų | 31.5 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -105.8 | 168.1 | -175.8 | 60.1 | -92.9 | 0 | 0 | 0 | 112.1 | R530 L566 T568 F571 I580 | R530-Y586 HydrophobicContact CG-CE2 4.45Å; R530-Y586 PolarHBondContact NH1-OH 3.32Å; L566-Y586 HydrophobicContact CB-CD2 3.91Å; L566-Y586 HydrophobicContact CB-CE1 4.06Å; L566-Y586 HydrophobicContact CB-CE2 3.33Å; L566-Y586 HydrophobicContact CB-CG 4.45Å; L566-Y586 HydrophobicContact CD1-CD2 4.25Å; L566-Y586 HydrophobicContact CD1-CE2 3.57Å; L566-Y586 HydrophobicContact CG-CE2 4.09Å; L566-Y586 PolarHBondContact N-O 3.35Å; L566-Y586 VanDerWaalsContact O-CD1 3.26Å; L566-Y586 WeakPolarHBondContact O-CD1 3.42Å; L566-Y586 WeakPolarHBondContact O-CE1 3.32Å; L566-Y586 PolarHBondContact O-N 3Å; L566-Y586 VanDerWaalsContact O-N 3.1Å; T568-Y586 PolarHBondContact O-OH 3.21Å; F571-Y586 HydrophobicContact CE1-CE2 4.47Å; F571-Y586 AromaticContact CE2-CD1 3.84Å; F571-Y586 HydrophobicContact CE2-CD1 3.84Å; F571-Y586 AromaticContact CE2-CE1 3.62Å; F571-Y586 HydrophobicContact CE2-CE1 3.62Å; F571-Y586 HydrophobicContact CE2-CE2 4.37Å; F571-Y586 HydrophobicContact CE2-CG 4.33Å; F571-Y586 AromaticContact CE2-CZ 3.93Å; F571-Y586 AromaticContact CZ-CD1 3.77Å; F571-Y586 HydrophobicContact CZ-CD1 3.77Å; F571-Y586 AromaticContact CZ-CD2 3.68Å; F571-Y586 HydrophobicContact CZ-CD2 3.68Å; F571-Y586 AromaticContact CZ-CE1 3.66Å; F571-Y586 HydrophobicContact CZ-CE1 3.66Å; F571-Y586 AromaticContact CZ-CE2 3.58Å; F571-Y586 HydrophobicContact CZ-CE2 3.58Å; F571-Y586 AromaticContact CZ-CG 3.8Å; F571-Y586 HydrophobicContact CZ-CG 3.8Å; F571-Y586 AromaticContact CZ-CZ 3.59Å; I580-Y586 HydrophobicContact CG1-CG 4.46Å |
| 587 | D | 59 | Low | 63.1 | Low | 51 Ų | 51 | 31.4 Ų | 31.4 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | trans | -128.4 | -160.7 | -179.5 | 69.9 | -10 | 0 | 0 | 0 | 111.5 | L565 S589 C590 | L565-D587 HydrophobicContact CD2-CB 4.39Å; D587-S589 PolarHBondContact O-N 2.83Å; D587-S589 WeakPolarHBondContact OD1-CB 3.34Å; D587-S589 PolarHBondContact OD1-N 3.49Å; D587-S589 PolarHBondContact OD1-OG 2.79Å; D587-C590 PolarHBondContact O-SG 2.73Å | ||
| 588 | E | 75 | Confident | 65.1 | Low | 62 Ų | 62 | 31.4 Ų | 31.4 | 29% | 0.29 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.9 | 175.1 | 56.4 | -117.7 | -148.6 | 0 | 0 | 115.5 | V528 K559 C590 D591 | V528-E588 HydrophobicContact CG2-CB 4.49Å; K559-E588 IonicContact NZ-OE1 2.66Å; K559-E588 PolarHBondContact NZ-OE1 3.13Å; K559-E588 IonicContact NZ-OE2 3.63Å; K559-E588 PolarHBondContact NZ-OE2 2.98Å; E588-C590 PolarHBondContact O-N 3.07Å; E588-D591 PolarHBondContact O-N 2.89Å |
| 589 | S | 76.3 | Confident | 66.9 | Low | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.2 | -11.7 | -179 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | E579 D587 L592 W593 R663 | E579-S589 PolarHBondContact OE1-OG 2.98Å; D587-S589 PolarHBondContact O-N 2.83Å; D587-S589 WeakPolarHBondContact OD1-CB 3.34Å; D587-S589 PolarHBondContact OD1-N 3.49Å; D587-S589 PolarHBondContact OD1-OG 2.79Å; S589-L592 PolarHBondContact O-N 2.71Å; S589-W593 PolarHBondContact O-N 3.41Å; S589-R663 PolarHBondContact O-NH1 3.1Å; S589-R663 PolarHBondContact OG-NH1 3.41Å; S589-R663 VanDerWaalsContact OG-NH1 3.11Å |
| 590 | C | 73.1 | Confident | 68.4 | Low | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -36.4 | 174.1 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | F571 I580 D587 E588 L592 S594 | F571-C590 HydrophobicContact CE1-CB 3.86Å; F571-C590 HydrophobicContact CZ-CB 4.46Å; I580-C590 HydrophobicContact CD1-CB 3.83Å; D587-C590 PolarHBondContact O-SG 2.73Å; E588-C590 PolarHBondContact O-N 3.07Å; C590-L592 VanDerWaalsContact C-N 3.29Å; C590-S594 PolarHBondContact O-N 3.36Å; C590-S594 VanDerWaalsContact O-N 3.09Å; C590-S594 PolarHBondContact O-OG 3.02Å |
| 591 | D | 81.3 | Confident | 69.9 | Low | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -34 | 175.1 | -72.3 | -24.1 | 0 | 0 | 0 | 110.3 | V519 H523 V528 H529 R530 L532 E588 S594 L595 | V519-D591 HydrophobicContact CG1-CB 3.87Å; H523-D591 IonicContact CD2-OD2 2.67Å; H523-D591 IonicContact CE1-OD2 3.01Å; H523-D591 IonicContact NE2-OD2 3.23Å; H523-D591 PolarHBondContact NE2-OD2 2.68Å; V528-D591 VanDerWaalsContact CG1-OD2 3.32Å; V528-D591 WeakPolarHBondContact CG1-OD2 3.39Å; H529-D591 PolarHBondContact N-OD2 3.18Å; R530-D591 PolarHBondContact N-OD1 2.93Å; L532-D591 HydrophobicContact CD1-CB 3.7Å; E588-D591 PolarHBondContact O-N 2.89Å; D591-S594 WeakPolarHBondContact O-CB 3.26Å; D591-S594 PolarHBondContact O-N 3.25Å; D591-L595 WeakPolarHBondContact O-CG 3.24Å; D591-L595 PolarHBondContact O-N 2.77Å |
| 592 | L | 84.4 | Confident | 71.9 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 177.4 | -73.9 | 151.2 | 0 | 0 | 0 | 112.5 | S589 C590 L595 G596 L655 I664 M666 L669 | S589-L592 PolarHBondContact O-N 2.71Å; C590-L592 VanDerWaalsContact C-N 3.29Å; L592-L595 PolarHBondContact O-N 3.23Å; L592-G596 PolarHBondContact O-N 2.77Å; L592-G596 VanDerWaalsContact O-N 3.12Å; L592-L655 HydrophobicContact CD2-CD2 4.48Å; L592-I664 WeakPolarHBondContact CD1-O 3.44Å; L592-M666 HydrophobicContact CD2-CE 3.88Å; L592-M666 HydrophobicContact CD2-SD 4.32Å; L592-M666 HydrophobicContact CG-CE 4.22Å; L592-L669 HydrophobicContact CD2-CB 4.31Å; L592-L669 HydrophobicContact CD2-CD2 3.4Å; L592-L669 HydrophobicContact CD2-CG 4.49Å |
| 593 | W | 81.8 | Confident | 74 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 169.8 | 178.3 | -75.2 | 0 | 0 | 0 | 112 | Y575 A576 A577 P578 S589 L595 G596 V597 F609 I628 L656 V658 | Y575-W593 VanDerWaalsContact O-CD1 3.26Å; A576-W593 PolarHBondContact O-NE1 3.38Å; A577-W593 HydrophobicContact CB-CB 3.66Å; A577-W593 HydrophobicContact CB-CD2 4.02Å; A577-W593 HydrophobicContact CB-CE3 4.36Å; A577-W593 HydrophobicContact CB-CG 3.73Å; P578-W593 HydrophobicContact CG-CE3 4.39Å; P578-W593 HydrophobicContact CG-CH2 3.43Å; P578-W593 VanDerWaalsContact CG-CH2 3.43Å; P578-W593 HydrophobicContact CG-CZ2 3.98Å; P578-W593 HydrophobicContact CG-CZ3 3.66Å; S589-W593 PolarHBondContact O-N 3.41Å; W593-L595 VanDerWaalsContact C-N 3.29Å; W593-L595 PolarHBondContact O-N 3.39Å; W593-G596 WeakPolarHBondContact O-CA 3.49Å; W593-G596 PolarHBondContact O-N 3.44Å; W593-V597 PolarHBondContact O-N 3.32Å; W593-V597 VanDerWaalsContact O-N 3.08Å; W593-F609 AromaticContact CH2-CZ 3.89Å; W593-F609 HydrophobicContact CH2-CZ 3.89Å; W593-F609 HydrophobicContact CZ2-CE1 4.44Å; W593-F609 AromaticContact CZ2-CE2 3.71Å; W593-F609 HydrophobicContact CZ2-CE2 3.71Å; W593-F609 AromaticContact CZ2-CZ 3.41Å; W593-F609 HydrophobicContact CZ2-CZ 3.41Å; W593-F609 VanDerWaalsContact CZ2-CZ 3.41Å; W593-I628 HydrophobicContact CZ2-CG2 4.19Å; W593-L656 HydrophobicContact CD2-CD2 3.9Å; W593-L656 HydrophobicContact CE3-CB 4.42Å; W593-L656 HydrophobicContact CE3-CD2 4.26Å; W593-L656 HydrophobicContact CG-CD2 4.19Å; W593-L656 HydrophobicContact CH2-CB 4.47Å; W593-L656 HydrophobicContact CZ2-CD2 4.46Å; W593-L656 HydrophobicContact CZ3-CB 4.23Å; W593-L656 WeakPolarHBondContact CZ3-O 3.33Å; W593-V658 HydrophobicContact CH2-CG2 4.4Å; W593-V658 HydrophobicContact CZ3-CG2 4.42Å |
| 594 | S | 81.3 | Confident | 75.9 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | Y575 C590 D591 G596 V597 I598 | Y575-S594 PolarHBondContact O-OG 2.84Å; C590-S594 PolarHBondContact O-N 3.36Å; C590-S594 VanDerWaalsContact O-N 3.09Å; C590-S594 PolarHBondContact O-OG 3.02Å; D591-S594 WeakPolarHBondContact O-CB 3.26Å; D591-S594 PolarHBondContact O-N 3.25Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 2.85Å; S594-V597 PolarHBondContact O-N 3.01Å; S594-I598 WeakPolarHBondContact O-CG1 3.29Å; S594-I598 PolarHBondContact O-N 3.47Å |
| 595 | L | 86.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59 | -39.8 | 173.5 | -75 | 172.3 | 0 | 0 | 0 | 112.5 | M512 L515 V516 V519 L532 D591 L592 W593 V597 I598 L599 | M512-L595 HydrophobicContact CE-CB 3.77Å; M512-L595 HydrophobicContact CE-CD2 4.44Å; M512-L595 HydrophobicContact SD-CD2 4.4Å; L515-L595 HydrophobicContact CB-CD2 3.87Å; V516-L595 HydrophobicContact CG2-CD1 4.29Å; V519-L595 HydrophobicContact CB-CD1 4.27Å; V519-L595 HydrophobicContact CG1-CD1 4.34Å; V519-L595 HydrophobicContact CG2-CD1 4.24Å; V519-L595 HydrophobicContact CG2-CD2 4.45Å; L532-L595 HydrophobicContact CD1-CG 4.23Å; D591-L595 WeakPolarHBondContact O-CG 3.24Å; D591-L595 PolarHBondContact O-N 2.77Å; L592-L595 PolarHBondContact O-N 3.23Å; W593-L595 VanDerWaalsContact C-N 3.29Å; W593-L595 PolarHBondContact O-N 3.39Å; L595-V597 PolarHBondContact O-N 2.83Å; L595-I598 PolarHBondContact O-N 2.78Å; L595-L599 WeakPolarHBondContact O-CB 3.31Å; L595-L599 PolarHBondContact O-N 3.07Å |
| 596 | G | 84.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L592 W593 S594 L599 Y600 | L592-G596 PolarHBondContact O-N 2.77Å; L592-G596 VanDerWaalsContact O-N 3.12Å; W593-G596 WeakPolarHBondContact O-CA 3.49Å; W593-G596 PolarHBondContact O-N 3.44Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 2.85Å; G596-L599 PolarHBondContact O-N 3.5Å; G596-Y600 PolarHBondContact O-N 2.71Å |
| 597 | V | 81.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -74.5 | -35 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | Q574 Y575 W593 S594 L595 T601 P608 F609 L656 | Q574-V597 WeakPolarHBondContact O-CG2 3.2Å; Y575-V597 HydrophobicContact CD1-CB 3.59Å; Y575-V597 HydrophobicContact CD1-CG1 3.61Å; Y575-V597 HydrophobicContact CE1-CB 3.77Å; Y575-V597 HydrophobicContact CE1-CG1 3.4Å; Y575-V597 HydrophobicContact CG-CG1 4.49Å; W593-V597 PolarHBondContact O-N 3.32Å; W593-V597 VanDerWaalsContact O-N 3.08Å; S594-V597 PolarHBondContact O-N 3.01Å; L595-V597 PolarHBondContact O-N 2.83Å; V597-T601 PolarHBondContact O-N 3.27Å; V597-T601 PolarHBondContact O-OG1 3.22Å; V597-P608 HydrophobicContact CB-CG 4.42Å; V597-P608 HydrophobicContact CG1-CG 3.83Å; V597-P608 HydrophobicContact CG2-CG 4.17Å; V597-F609 HydrophobicContact CG2-CE2 4.27Å; V597-L656 HydrophobicContact CG2-CD1 4.46Å; V597-L656 HydrophobicContact CG2-CD2 3.49Å; V597-L656 VanDerWaalsContact CG2-CD2 3.49Å |
| 598 | I | 84 | Confident | 80.6 | Confident | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 170.3 | -67.2 | 161.2 | 0 | 0 | 0 | 109.7 | L493 L515 L532 P534 L537 Y575 S594 L595 T601 M602 | L493-I598 HydrophobicContact CD2-CG2 4.03Å; L515-I598 HydrophobicContact CD1-CG2 4.31Å; L532-I598 HydrophobicContact CB-CD1 4.22Å; P534-I598 HydrophobicContact CG-CG1 4.35Å; L537-I598 HydrophobicContact CD1-CD1 4.22Å; L537-I598 HydrophobicContact CD1-CG2 4.23Å; Y575-I598 HydrophobicContact CD1-CG1 4.01Å; Y575-I598 HydrophobicContact CE1-CG1 3.7Å; S594-I598 WeakPolarHBondContact O-CG1 3.29Å; S594-I598 PolarHBondContact O-N 3.47Å; L595-I598 PolarHBondContact O-N 2.78Å; I598-T601 PolarHBondContact O-N 2.93Å; I598-M602 HydrophobicContact CG2-CE 4.31Å; I598-M602 HydrophobicContact CG2-CG 4.48Å; I598-M602 WeakPolarHBondContact O-CG 3.34Å; I598-M602 PolarHBondContact O-N 3.06Å |
| 599 | L | 88.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 178 | -178.6 | 59 | 0 | 0 | 0 | 112.5 | M512 L595 G596 T601 M602 L603 L650 I651 L655 W674 | M512-L599 HydrophobicContact CE-CB 4.23Å; M512-L599 HydrophobicContact CE-CD2 4.19Å; M512-L599 HydrophobicContact CG-CD1 4.41Å; M512-L599 HydrophobicContact SD-CB 4.18Å; L595-L599 WeakPolarHBondContact O-CB 3.31Å; L595-L599 PolarHBondContact O-N 3.07Å; G596-L599 PolarHBondContact O-N 3.5Å; L599-T601 VanDerWaalsContact C-N 3.27Å; L599-T601 PolarHBondContact O-N 3.11Å; L599-M602 HydrophobicContact CD1-CE 3.96Å; L599-M602 PolarHBondContact O-N 3.13Å; L599-L603 HydrophobicContact CD1-CD1 3.88Å; L599-L603 HydrophobicContact CD1-CG 3.99Å; L599-L603 HydrophobicContact CG-CD1 4.13Å; L599-L603 WeakPolarHBondContact O-CG 3.48Å; L599-L603 PolarHBondContact O-N 2.91Å; L599-L650 HydrophobicContact CD2-CD2 3.72Å; L599-L650 HydrophobicContact CD2-CG 4.03Å; L599-I651 HydrophobicContact CD2-CD1 4.5Å; L599-I651 HydrophobicContact CD2-CG1 3.91Å; L599-I651 HydrophobicContact CG-CD1 4.16Å; L599-I651 HydrophobicContact CG-CG1 4.03Å; L599-L655 HydrophobicContact CD2-CD1 4.02Å; L599-W674 HydrophobicContact CD1-CH2 3.46Å; L599-W674 VanDerWaalsContact CD1-CH2 3.46Å; L599-W674 HydrophobicContact CD1-CZ2 4.29Å; L599-W674 HydrophobicContact CD1-CZ3 3.86Å; L599-W674 HydrophobicContact CD2-CH2 4.44Å; L599-W674 HydrophobicContact CD2-CZ3 4.17Å |
| 600 | Y | 85.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 5.6 Ų | 5.6 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -55.3 | -44 | 173.3 | -177 | -73.1 | 0 | 0 | 0 | 111.5 | G596 L603 S604 Q606 P608 F633 S634 F635 W640 I651 | G596-Y600 PolarHBondContact O-N 2.71Å; Y600-L603 PolarHBondContact O-N 3.11Å; Y600-S604 WeakPolarHBondContact CE1-OG 3.31Å; Y600-S604 PolarHBondContact O-N 3.23Å; Y600-S604 PolarHBondContact O-OG 2.91Å; Y600-Q606 WeakPolarHBondContact CD1-O 3.37Å; Y600-Q606 HydrophobicContact CE1-CB 4.04Å; Y600-P608 HydrophobicContact CD1-CB 3.9Å; Y600-P608 VanDerWaalsContact CD1-CD 3.45Å; Y600-P608 HydrophobicContact CD1-CG 4.02Å; Y600-P608 HydrophobicContact CD2-CB 3.77Å; Y600-P608 HydrophobicContact CD2-CG 4.37Å; Y600-P608 VanDerWaalsContact CE1-CA 3.47Å; Y600-P608 HydrophobicContact CE1-CB 3.92Å; Y600-P608 HydrophobicContact CE1-CG 4.44Å; Y600-P608 HydrophobicContact CE2-CB 3.77Å; Y600-P608 HydrophobicContact CG-CB 3.85Å; Y600-P608 HydrophobicContact CG-CG 3.99Å; Y600-F633 HydrophobicContact CD2-CD2 4.25Å; Y600-F633 AromaticContact CE2-CD2 3.88Å; Y600-F633 HydrophobicContact CE2-CD2 3.88Å; Y600-S634 PolarHBondContact OH-O 2.86Å; Y600-F635 HydrophobicContact CD2-CE1 4.14Å; Y600-F635 HydrophobicContact CE2-CD1 4.2Å; Y600-F635 HydrophobicContact CE2-CE1 4.13Å; Y600-W640 AromaticContact CD1-CZ2 3.98Å; Y600-W640 HydrophobicContact CD1-CZ2 3.98Å; Y600-W640 AromaticContact CD2-CH2 3.71Å; Y600-W640 HydrophobicContact CD2-CH2 3.71Å; Y600-W640 AromaticContact CD2-CZ2 3.47Å; Y600-W640 HydrophobicContact CD2-CZ2 3.47Å; Y600-W640 VanDerWaalsContact CD2-CZ2 3.47Å; Y600-W640 AromaticContact CE1-CZ2 3.81Å; Y600-W640 HydrophobicContact CE1-CZ2 3.81Å; Y600-W640 AromaticContact CE2-CH2 3.95Å; Y600-W640 HydrophobicContact CE2-CH2 3.95Å; Y600-W640 AromaticContact CE2-CZ2 3.27Å; Y600-W640 HydrophobicContact CE2-CZ2 3.27Å; Y600-W640 HydrophobicContact CG-CH2 4.04Å; Y600-W640 AromaticContact CG-CZ2 3.82Å; Y600-W640 HydrophobicContact CG-CZ2 3.82Å; Y600-W640 AromaticContact CZ-CZ2 3.45Å; Y600-W640 VanDerWaalsContact CZ-CZ2 3.45Å; Y600-I651 HydrophobicContact CD2-CG2 4.18Å |
| 601 | T | 82.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | -179.2 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | L494 V597 I598 L599 G605 Q606 | L494-T601 HydrophobicContact CD1-CG2 3.9Å; L494-T601 HydrophobicContact CD2-CG2 3.9Å; V597-T601 PolarHBondContact O-N 3.27Å; V597-T601 PolarHBondContact O-OG1 3.22Å; I598-T601 PolarHBondContact O-N 2.93Å; L599-T601 VanDerWaalsContact C-N 3.27Å; L599-T601 PolarHBondContact O-N 3.11Å; T601-G605 WeakPolarHBondContact O-CA 3.49Å; T601-G605 PolarHBondContact O-N 2.91Å; T601-Q606 VanDerWaalsContact CA-O 3.31Å; T601-Q606 WeakPolarHBondContact CA-O 3.49Å; T601-Q606 PolarHBondContact OG1-O 3.48Å |
| 602 | M | 85.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 173.9 | -70.9 | -167.5 | -61.6 | 0 | 0 | 112.5 | L493 I497 F503 I511 M512 I598 L599 T688 | L493-M602 HydrophobicContact CD1-SD 4.09Å; L493-M602 HydrophobicContact CD2-CG 4.17Å; L493-M602 HydrophobicContact CD2-SD 3.93Å; L493-M602 HydrophobicContact CG-SD 4.48Å; I497-M602 HydrophobicContact CD1-CB 4.45Å; I497-M602 HydrophobicContact CD1-CG 4.03Å; F503-M602 WeakPolarHBondContact CE1-O 3.46Å; I511-M602 HydrophobicContact CB-SD 4.29Å; I511-M602 HydrophobicContact CG2-CE 4.39Å; I511-M602 HydrophobicContact CG2-SD 3.74Å; M512-M602 HydrophobicContact CB-CE 4.27Å; M512-M602 HydrophobicContact SD-CE 4.41Å; I598-M602 HydrophobicContact CG2-CE 4.31Å; I598-M602 HydrophobicContact CG2-CG 4.48Å; I598-M602 WeakPolarHBondContact O-CG 3.34Å; I598-M602 PolarHBondContact O-N 3.06Å; L599-M602 HydrophobicContact CD1-CE 3.96Å; L599-M602 PolarHBondContact O-N 3.13Å; M602-T688 WeakPolarHBondContact O-CG2 3.44Å; M602-T688 PolarHBondContact O-OG1 3.09Å |
| 603 | L | 86.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -80.2 | -15.5 | -175.2 | -66.5 | -178.3 | 0 | 0 | 0 | 114.8 | E505 A508 L599 Y600 W640 V643 A647 I651 W674 L686 T688 | E505-L603 HydrophobicContact CG-CD2 4.08Å; A508-L603 HydrophobicContact CB-CD2 3.55Å; L599-L603 HydrophobicContact CD1-CD1 3.88Å; L599-L603 HydrophobicContact CD1-CG 3.99Å; L599-L603 HydrophobicContact CG-CD1 4.13Å; L599-L603 WeakPolarHBondContact O-CG 3.48Å; L599-L603 PolarHBondContact O-N 2.91Å; Y600-L603 PolarHBondContact O-N 3.11Å; L603-W640 HydrophobicContact CB-CH2 4.22Å; L603-W640 HydrophobicContact CB-CZ3 4.18Å; L603-V643 HydrophobicContact CB-CG1 4.49Å; L603-V643 HydrophobicContact CB-CG2 4.21Å; L603-V643 HydrophobicContact CD1-CG1 4.01Å; L603-V643 WeakPolarHBondContact O-CG2 3.5Å; L603-A647 HydrophobicContact CD1-CB 3.59Å; L603-I651 HydrophobicContact CD1-CD1 4.08Å; L603-W674 HydrophobicContact CD1-CZ2 4.31Å; L603-W674 HydrophobicContact CD2-CZ2 4.39Å; L603-L686 HydrophobicContact CD2-CD1 3.68Å; L603-T688 PolarHBondContact O-OG1 3.21Å |
| 604 | S | 82 | Confident | 73.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -133.3 | -16.8 | -173.4 | 67.7 | 0 | 0 | 0 | 0 | 116.4 | Y600 Q606 T688 I691 | Y600-S604 WeakPolarHBondContact CE1-OG 3.31Å; Y600-S604 PolarHBondContact O-N 3.23Å; Y600-S604 PolarHBondContact O-OG 2.91Å; S604-Q606 PolarHBondContact O-N 3.35Å; S604-Q606 PolarHBondContact OG-N 3.14Å; S604-Q606 VanDerWaalsContact OG-N 3.16Å; S604-T688 PolarHBondContact N-OG1 3.09Å; S604-I691 VanDerWaalsContact O-CD1 3.26Å; S604-I691 WeakPolarHBondContact O-CD1 3.24Å |
| 605 | G | 73.4 | Confident | 71 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 70.1 | 7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T601 | T601-G605 WeakPolarHBondContact O-CA 3.49Å; T601-G605 PolarHBondContact O-N 2.91Å |
| 606 | Q | 76.4 | Confident | 68.6 | Low | 37 Ų | 37 | 42.8 Ų | 42.8 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -115.5 | 165 | -175.7 | -60.7 | 179.5 | -2.9 | 0 | 0 | 111.5 | Y600 T601 S604 I691 | Y600-Q606 WeakPolarHBondContact CD1-O 3.37Å; Y600-Q606 HydrophobicContact CE1-CB 4.04Å; T601-Q606 VanDerWaalsContact CA-O 3.31Å; T601-Q606 WeakPolarHBondContact CA-O 3.49Å; T601-Q606 PolarHBondContact OG1-O 3.48Å; S604-Q606 PolarHBondContact O-N 3.35Å; S604-Q606 PolarHBondContact OG-N 3.14Å; S604-Q606 VanDerWaalsContact OG-N 3.16Å; Q606-I691 HydrophobicContact CG-CG2 4.32Å |
| 607 | V | 74.4 | Confident | 66.4 | Low | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | trans | -106.7 | 129.4 | 175 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | Q574 F609 Q610 V699 V703 | Q574-V607 HydrophobicContact CB-CG1 4.4Å; V607-F609 PolarHBondContact O-N 3.21Å; V607-Q610 HydrophobicContact CB-CB 4.33Å; V607-Q610 PolarHBondContact O-N 3.05Å; V607-V699 HydrophobicContact CG2-CG1 4.27Å; V607-V703 HydrophobicContact CG2-CG2 4.21Å | ||
| 608 | P | 66.7 | Low | 64.4 | Low | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -37.4 | -163.3 | 14.7 | -25.8 | 0 | 0 | 0 | 114.9 | V597 Y600 F633 L656 | V597-P608 HydrophobicContact CB-CG 4.42Å; V597-P608 HydrophobicContact CG1-CG 3.83Å; V597-P608 HydrophobicContact CG2-CG 4.17Å; Y600-P608 HydrophobicContact CD1-CB 3.9Å; Y600-P608 VanDerWaalsContact CD1-CD 3.45Å; Y600-P608 HydrophobicContact CD1-CG 4.02Å; Y600-P608 HydrophobicContact CD2-CB 3.77Å; Y600-P608 HydrophobicContact CD2-CG 4.37Å; Y600-P608 VanDerWaalsContact CE1-CA 3.47Å; Y600-P608 HydrophobicContact CE1-CB 3.92Å; Y600-P608 HydrophobicContact CE1-CG 4.44Å; Y600-P608 HydrophobicContact CE2-CB 3.77Å; Y600-P608 HydrophobicContact CG-CB 3.85Å; Y600-P608 HydrophobicContact CG-CG 3.99Å; P608-F633 HydrophobicContact CB-CB 3.7Å; P608-F633 HydrophobicContact CB-CD2 4.4Å; P608-F633 HydrophobicContact CB-CG 4.05Å; P608-F633 WeakPolarHBondContact O-CB 3.46Å; P608-L656 HydrophobicContact CB-CD1 4.44Å; P608-L656 HydrophobicContact CG-CD1 4.39Å |
| 609 | F | 70.3 | Confident | 62.7 | Low | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 13.8 | -172.9 | -53 | -71.8 | 0 | 0 | 0 | 113.8 | W593 V597 V607 I624 K627 I628 F633 | W593-F609 AromaticContact CH2-CZ 3.89Å; W593-F609 HydrophobicContact CH2-CZ 3.89Å; W593-F609 HydrophobicContact CZ2-CE1 4.44Å; W593-F609 AromaticContact CZ2-CE2 3.71Å; W593-F609 HydrophobicContact CZ2-CE2 3.71Å; W593-F609 AromaticContact CZ2-CZ 3.41Å; W593-F609 HydrophobicContact CZ2-CZ 3.41Å; W593-F609 VanDerWaalsContact CZ2-CZ 3.41Å; V597-F609 HydrophobicContact CG2-CE2 4.27Å; V607-F609 PolarHBondContact O-N 3.21Å; F609-I624 HydrophobicContact CB-CG2 4.03Å; F609-K627 HydrophobicContact CB-CB 4.28Å; F609-K627 HydrophobicContact CD1-CB 4.06Å; F609-I628 HydrophobicContact CB-CG1 3.98Å; F609-I628 HydrophobicContact CD1-CG1 3.87Å; F609-I628 HydrophobicContact CD2-CD1 4.25Å; F609-I628 HydrophobicContact CD2-CG1 3.57Å; F609-I628 HydrophobicContact CE1-CG1 4.24Å; F609-I628 HydrophobicContact CE2-CG1 4.01Å; F609-I628 HydrophobicContact CG-CD1 4.4Å; F609-I628 HydrophobicContact CG-CG1 3.51Å; F609-I628 HydrophobicContact CZ-CG1 4.33Å; F609-F633 HydrophobicContact CD1-CB 4.28Å; F609-F633 HydrophobicContact CE1-CB 4.22Å; F609-F633 AromaticContact CE1-CD1 3.66Å; F609-F633 HydrophobicContact CE1-CD1 3.66Å; F609-F633 HydrophobicContact CE1-CG 4.36Å; F609-F633 AromaticContact CZ-CD1 4Å; F609-F633 HydrophobicContact CZ-CD1 4Å |
| 610 | Q | 65.4 | Low | 60.8 | Low | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 33% | 0.325 | C | S | . | . | trans | -92.3 | 140.5 | -177.6 | -166.3 | -174.5 | -47.6 | 0 | 0 | 112.1 | V607 | V607-Q610 HydrophobicContact CB-CB 4.33Å; V607-Q610 PolarHBondContact O-N 3.05Å | ||
| 611 | C | 51.4 | Low | 58.9 | Low | 52 Ų | 52 | 62 Ų | 62 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | trans | -79.3 | 147.6 | 174.2 | -162.3 | 0 | 0 | 0 | 0 | 112 | T619 | C611-T619 HydrophobicContact CB-CG2 4.02Š| ||
| 612 | Q | 51.5 | Low | 57.5 | Low | 110 Ų | 110 | 66.4 Ų | 66.4 | 51% | 0.514 | 35% | 0.346 | S | S | . | . | trans | -114.4 | 1.4 | -173.2 | -59.7 | -167.1 | 10.3 | 0 | 0 | 114.9 | K614 | Q612-K614 PolarHBondContact O-N 3.39Š| ||
| 613 | E | 41.1 | Very low | 56.3 | Low | 158 Ų | 158 | 70.6 Ų | 70.6 | 74% | 0.738 | 37% | 0.365 | S | S | * | . | trans | -74.3 | 125 | -178.6 | -67.5 | -161.4 | 162 | 0 | 0 | 112.9 | S615 | E613-S615 PolarHBondContact O-N 3.23Š| ||
| 614 | K | 39.6 | Very low | 55 | Low | 219 Ų | 219 | 70.8 Ų | 70.8 | 95% | 0.952 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 9.9 | -172.6 | -63.5 | -179.8 | 177.6 | 177.2 | 0 | 115.1 | Q612 | Q612-K614 PolarHBondContact O-N 3.39Š|
| 615 | S | 33.3 | Very low | 53.7 | Low | 104 Ų | 104 | 71.6 Ų | 71.6 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -22.1 | -167.2 | -154.8 | 0 | 0 | 0 | 0 | 114.9 | E613 | E613-S615 PolarHBondContact O-N 3.23Š|
| 616 | L | 36.8 | Very low | 53.2 | Low | 144 Ų | 144 | 76.3 Ų | 76.3 | 75% | 0.754 | 39% | 0.392 | S | S | * | . | trans | -130.2 | 103.7 | -173.3 | -71.3 | 173.2 | 0 | 0 | 0 | 112.2 | H618 | L616-H618 PolarHBondContact O-N 3.44Š| ||
| 617 | T | 38.8 | Very low | 52.9 | Low | 139 Ų | 139 | 76.8 Ų | 76.8 | 85% | 0.853 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -75.4 | 68.7 | 170.5 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 618 | H | 38.9 | Very low | 52.5 | Low | 184 Ų | 184 | 76.3 Ų | 76.3 | 85% | 0.852 | 39% | 0.39 | S | S | * | . | trans | 177 | 83.5 | 156.9 | -87.1 | -50.8 | 0 | 0 | 0 | 109.6 | L616 S620 | L616-H618 PolarHBondContact O-N 3.44Å; H618-S620 PolarHBondContact O-N 2.96Å | ||
| 619 | T | 47.3 | Very low | 52.5 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 28% | 0.276 | 41% | 0.411 | S | S | . | . | trans | -64.4 | 121.4 | 163.2 | -46.1 | 0 | 0 | 0 | 0 | 108.2 | C611 E623 I624 | C611-T619 HydrophobicContact CB-CG2 4.02Å; T619-E623 HydrophobicContact CG2-CB 4.47Å; T619-E623 VanDerWaalsContact CG2-OE2 3.32Å; T619-E623 WeakPolarHBondContact CG2-OE2 3.45Å; T619-I624 HydrophobicContact CG2-CD1 3.9Å; T619-I624 HydrophobicContact CG2-CG1 3.86Å | ||
| 620 | S | 49.7 | Very low | 52.6 | Low | 39 Ų | 39 | 86.5 Ų | 86.5 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | trans | -71.7 | 148.8 | 175 | 76 | 0 | 0 | 0 | 0 | 109.8 | H618 E622 E623 I624 | H618-S620 PolarHBondContact O-N 2.96Å; S620-E622 PolarHBondContact O-N 2.81Å; S620-E622 PolarHBondContact OG-N 2.83Å; S620-E623 WeakPolarHBondContact CA-OE1 3.45Å; S620-E623 WeakPolarHBondContact CB-OE1 3.33Å; S620-E623 PolarHBondContact N-OE1 3.15Å; S620-E623 PolarHBondContact O-N 2.56Å; S620-E623 VanDerWaalsContact OG-CD 3.31Å; S620-E623 WeakPolarHBondContact OG-CG 3.43Å; S620-E623 PolarHBondContact OG-N 3.44Å; S620-E623 PolarHBondContact OG-OE1 2.68Å; S620-I624 PolarHBondContact O-N 2.69Å | ||
| 621 | A | 45.2 | Very low | 52.9 | Low | 1 Ų | 1 | 85.1 Ų | 85.1 | 1% | 0.008 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.6 | -10.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I624 M625 A709 F710 | A621-I624 PolarHBondContact O-N 2.95Å; A621-M625 VanDerWaalsContact O-CB 3.26Å; A621-M625 WeakPolarHBondContact O-CB 3.39Å; A621-M625 WeakPolarHBondContact O-CE 3.33Å; A621-M625 WeakPolarHBondContact O-CG 3.27Å; A621-M625 PolarHBondContact O-N 2.82Å; A621-A709 HydrophobicContact CB-CB 3.48Å; A621-A709 VanDerWaalsContact CB-CB 3.48Å; A621-F710 HydrophobicContact CB-CB 3.96Å |
| 622 | E | 52.3 | Low | 54 | Low | 93 Ų | 93 | 86 Ų | 86 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 177.1 | -46.2 | -161.9 | 160.3 | 0 | 0 | 109.7 | S620 M625 H626 C713 | S620-E622 PolarHBondContact O-N 2.81Å; S620-E622 PolarHBondContact OG-N 2.83Å; E622-M625 HydrophobicContact CG-CE 4.38Å; E622-M625 PolarHBondContact O-N 2.82Å; E622-H626 VanDerWaalsContact O-CB 3.28Å; E622-H626 WeakPolarHBondContact O-CB 3.44Å; E622-H626 PolarHBondContact O-N 3.13Å; E622-C713 VanDerWaalsContact CD-SG 3.54Å; E622-C713 HydrophobicContact CG-CB 3.86Å; E622-C713 WeakPolarHBondContact OE1-CB 3.49Å; E622-C713 PolarHBondContact OE1-SG 3.46Å |
| 623 | E | 61.2 | Low | 55.4 | Low | 87 Ų | 87 | 81.8 Ų | 81.8 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 166.9 | -65.2 | 146.9 | -115 | 0 | 0 | 111.5 | T619 S620 M625 H626 K627 | T619-E623 HydrophobicContact CG2-CB 4.47Å; T619-E623 VanDerWaalsContact CG2-OE2 3.32Å; T619-E623 WeakPolarHBondContact CG2-OE2 3.45Å; S620-E623 WeakPolarHBondContact CA-OE1 3.45Å; S620-E623 WeakPolarHBondContact CB-OE1 3.33Å; S620-E623 PolarHBondContact N-OE1 3.15Å; S620-E623 PolarHBondContact O-N 2.56Å; S620-E623 VanDerWaalsContact OG-CD 3.31Å; S620-E623 WeakPolarHBondContact OG-CG 3.43Å; S620-E623 PolarHBondContact OG-N 3.44Å; S620-E623 PolarHBondContact OG-OE1 2.68Å; E623-M625 PolarHBondContact O-N 2.95Å; E623-H626 WeakPolarHBondContact O-CB 3.47Å; E623-H626 PolarHBondContact O-N 3.47Å; E623-H626 VanDerWaalsContact O-N 3.16Å; E623-K627 WeakPolarHBondContact O-CG 3.2Å; E623-K627 PolarHBondContact O-N 3.05Å |
| 624 | I | 59.8 | Low | 57.2 | Low | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.8 | -36.4 | -176.9 | -57.8 | 174.1 | 0 | 0 | 0 | 111 | F609 T619 S620 A621 K627 I628 T706 | F609-I624 HydrophobicContact CB-CG2 4.03Å; T619-I624 HydrophobicContact CG2-CD1 3.9Å; T619-I624 HydrophobicContact CG2-CG1 3.86Å; S620-I624 PolarHBondContact O-N 2.69Å; A621-I624 PolarHBondContact O-N 2.95Å; I624-K627 PolarHBondContact O-N 3.29Å; I624-I628 HydrophobicContact CG2-CD1 4.04Å; I624-I628 VanDerWaalsContact O-CG1 3.31Å; I624-I628 WeakPolarHBondContact O-CG1 3.24Å; I624-I628 PolarHBondContact O-N 3.28Å; I624-T706 HydrophobicContact CB-CG2 4.45Å; I624-T706 HydrophobicContact CD1-CG2 3.65Å; I624-T706 WeakPolarHBondContact CD1-OG1 3.28Å; I624-T706 HydrophobicContact CG2-CG2 3.89Å |
| 625 | M | 53.3 | Low | 59.3 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 168.7 | -88.3 | -172.1 | -91.3 | 0 | 0 | 112.4 | A621 E622 E623 K627 I628 K629 F710 C713 | A621-M625 VanDerWaalsContact O-CB 3.26Å; A621-M625 WeakPolarHBondContact O-CB 3.39Å; A621-M625 WeakPolarHBondContact O-CE 3.33Å; A621-M625 WeakPolarHBondContact O-CG 3.27Å; A621-M625 PolarHBondContact O-N 2.82Å; E622-M625 HydrophobicContact CG-CE 4.38Å; E622-M625 PolarHBondContact O-N 2.82Å; E623-M625 PolarHBondContact O-N 2.95Å; M625-K627 VanDerWaalsContact C-N 3.31Å; M625-I628 PolarHBondContact O-N 3.31Å; M625-K629 VanDerWaalsContact O-CB 3.28Å; M625-K629 WeakPolarHBondContact O-CB 3.24Å; M625-K629 WeakPolarHBondContact O-CD 3.49Å; M625-K629 WeakPolarHBondContact O-CG 3.34Å; M625-K629 PolarHBondContact O-N 3.39Å; M625-F710 HydrophobicContact CE-CD2 3.72Å; M625-F710 HydrophobicContact CE-CE2 4.15Å; M625-F710 HydrophobicContact CE-CG 4.37Å; M625-F710 HydrophobicContact CG-CD2 3.41Å; M625-F710 VanDerWaalsContact CG-CD2 3.41Å; M625-F710 HydrophobicContact CG-CE2 3.46Å; M625-F710 VanDerWaalsContact CG-CE2 3.46Å; M625-F710 HydrophobicContact SD-CD2 3.47Å; M625-F710 WeakPolarHBondContact SD-CD2 3.43Å; M625-F710 HydrophobicContact SD-CE2 3.29Å; M625-F710 WeakPolarHBondContact SD-CE2 3.37Å; M625-F710 HydrophobicContact SD-CZ 4.24Å; M625-C713 HydrophobicContact CE-CB 3.47Å; M625-C713 VanDerWaalsContact CE-CB 3.47Å |
| 626 | H | 64.4 | Low | 61.1 | Low | 101 Ų | 101 | 66 Ų | 66 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 179.2 | -174.9 | -91.4 | 0 | 0 | 0 | 109.8 | E622 E623 K629 Q630 | E622-H626 VanDerWaalsContact O-CB 3.28Å; E622-H626 WeakPolarHBondContact O-CB 3.44Å; E622-H626 PolarHBondContact O-N 3.13Å; E623-H626 WeakPolarHBondContact O-CB 3.47Å; E623-H626 PolarHBondContact O-N 3.47Å; E623-H626 VanDerWaalsContact O-N 3.16Å; H626-K629 PolarHBondContact O-N 3.29Å; H626-Q630 PolarHBondContact CE1-NE2 3.27Å; H626-Q630 PolarHBondContact CE1-OE1 2.86Å; H626-Q630 PolarHBondContact ND1-OE1 3.33Å; H626-Q630 PolarHBondContact NE2-NE2 3.45Å; H626-Q630 WeakPolarHBondContact O-CB 3.12Å; H626-Q630 WeakPolarHBondContact O-CG 3.42Å; H626-Q630 PolarHBondContact O-N 2.92Å |
| 627 | K | 68.5 | Low | 63 | Low | 46 Ų | 46 | 62 Ų | 62 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.9 | -52.5 | 173.1 | -75.7 | -173.7 | 161.8 | -66 | 0 | 113.2 | F609 E623 I624 M625 K629 Q630 G631 D632 | F609-K627 HydrophobicContact CB-CB 4.28Å; F609-K627 HydrophobicContact CD1-CB 4.06Å; E623-K627 WeakPolarHBondContact O-CG 3.2Å; E623-K627 PolarHBondContact O-N 3.05Å; I624-K627 PolarHBondContact O-N 3.29Å; M625-K627 VanDerWaalsContact C-N 3.31Å; K627-K629 VanDerWaalsContact C-N 3.34Å; K627-K629 PolarHBondContact O-N 3.14Å; K627-Q630 PolarHBondContact O-N 2.86Å; K627-Q630 VanDerWaalsContact O-N 3.16Å; K627-G631 PolarHBondContact O-N 3.46Å; K627-D632 HydrophobicContact CB-CB 4.42Å; K627-D632 HydrophobicContact CG-CB 4.21Å; K627-D632 PolarHBondContact NZ-O 3.19Å; K627-D632 IonicContact NZ-OD1 3.59Å; K627-D632 PolarHBondContact NZ-OD1 3.49Å; K627-D632 IonicContact NZ-OD2 2.69Å; K627-D632 PolarHBondContact NZ-OD2 2.95Å; K627-D632 PolarHBondContact O-N 2.92Å |
| 628 | I | 67.9 | Low | 64.9 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.7 | -69.2 | 166 | 0 | 0 | 0 | 111.4 | L573 P578 L581 W593 F609 I624 M625 Q630 G631 | L573-I628 HydrophobicContact CG-CD1 4.36Å; P578-I628 HydrophobicContact CG-CG2 4.05Å; P578-I628 VanDerWaalsContact CG-O 3.29Å; P578-I628 WeakPolarHBondContact CG-O 3.33Å; L581-I628 HydrophobicContact CD1-CB 4.5Å; L581-I628 HydrophobicContact CD1-CG2 3.81Å; W593-I628 HydrophobicContact CZ2-CG2 4.19Å; F609-I628 HydrophobicContact CB-CG1 3.98Å; F609-I628 HydrophobicContact CD1-CG1 3.87Å; F609-I628 HydrophobicContact CD2-CD1 4.25Å; F609-I628 HydrophobicContact CD2-CG1 3.57Å; F609-I628 HydrophobicContact CE1-CG1 4.24Å; F609-I628 HydrophobicContact CE2-CG1 4.01Å; F609-I628 HydrophobicContact CG-CD1 4.4Å; F609-I628 HydrophobicContact CG-CG1 3.51Å; F609-I628 HydrophobicContact CZ-CG1 4.33Å; I624-I628 HydrophobicContact CG2-CD1 4.04Å; I624-I628 VanDerWaalsContact O-CG1 3.31Å; I624-I628 WeakPolarHBondContact O-CG1 3.24Å; I624-I628 PolarHBondContact O-N 3.28Å; M625-I628 PolarHBondContact O-N 3.31Å; I628-Q630 VanDerWaalsContact C-N 3.26Å; I628-Q630 PolarHBondContact O-N 3.28Å; I628-G631 PolarHBondContact O-N 3.36Å |
| 629 | K | 65.6 | Low | 66.9 | Low | 108 Ų | 108 | 52.2 Ų | 52.2 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -25 | 178.6 | -74.6 | 168.7 | -178.5 | 172.6 | 0 | 113.6 | L581 M625 H626 K627 | L581-K629 HydrophobicContact CD1-CG 4.03Å; M625-K629 VanDerWaalsContact O-CB 3.28Å; M625-K629 WeakPolarHBondContact O-CB 3.24Å; M625-K629 WeakPolarHBondContact O-CD 3.49Å; M625-K629 WeakPolarHBondContact O-CG 3.34Å; M625-K629 PolarHBondContact O-N 3.39Å; H626-K629 PolarHBondContact O-N 3.29Å; K627-K629 VanDerWaalsContact C-N 3.34Å; K627-K629 PolarHBondContact O-N 3.14Å |
| 630 | Q | 72.3 | Confident | 68.7 | Low | 116 Ų | 116 | 50.4 Ų | 50.4 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -99.8 | -17.3 | 179.5 | -71.4 | 179.6 | -16.7 | 0 | 0 | 113.7 | H626 K627 I628 D632 | H626-Q630 PolarHBondContact CE1-NE2 3.27Å; H626-Q630 PolarHBondContact CE1-OE1 2.86Å; H626-Q630 PolarHBondContact ND1-OE1 3.33Å; H626-Q630 PolarHBondContact NE2-NE2 3.45Å; H626-Q630 WeakPolarHBondContact O-CB 3.12Å; H626-Q630 WeakPolarHBondContact O-CG 3.42Å; H626-Q630 PolarHBondContact O-N 2.92Å; K627-Q630 PolarHBondContact O-N 2.86Å; K627-Q630 VanDerWaalsContact O-N 3.16Å; I628-Q630 VanDerWaalsContact C-N 3.26Å; I628-Q630 PolarHBondContact O-N 3.28Å; Q630-D632 VanDerWaalsContact C-N 3.34Å; Q630-D632 HydrophobicContact CB-CB 4.3Å |
| 631 | G | 71.5 | Confident | 70.3 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 23.2 | -168 | 0 | 0 | 0 | 0 | 0 | 113.1 | K627 I628 F633 | K627-G631 PolarHBondContact O-N 3.46Å; I628-G631 PolarHBondContact O-N 3.36Å; G631-F633 WeakPolarHBondContact O-CD1 3.43Å; G631-F633 WeakPolarHBondContact O-CE1 3.45Å; G631-F633 PolarHBondContact O-N 3.23Å; G631-F633 VanDerWaalsContact O-N 3.12Å |
| 632 | D | 74.9 | Confident | 72.1 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | trans | -83.5 | 87.6 | -176 | 170.7 | 27.2 | 0 | 0 | 0 | 111.9 | K627 Q630 | K627-D632 HydrophobicContact CB-CB 4.42Å; K627-D632 HydrophobicContact CG-CB 4.21Å; K627-D632 PolarHBondContact NZ-O 3.19Å; K627-D632 IonicContact NZ-OD1 3.59Å; K627-D632 PolarHBondContact NZ-OD1 3.49Å; K627-D632 IonicContact NZ-OD2 2.69Å; K627-D632 PolarHBondContact NZ-OD2 2.95Å; K627-D632 PolarHBondContact O-N 2.92Å; Q630-D632 VanDerWaalsContact C-N 3.34Å; Q630-D632 HydrophobicContact CB-CB 4.3Å | ||
| 633 | F | 80.4 | Confident | 73.8 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | trans | -130 | 161.5 | 166.2 | 62.4 | -86.8 | 0 | 0 | 0 | 109.5 | Y600 P608 F609 G631 F635 I651 Q652 L656 | Y600-F633 HydrophobicContact CD2-CD2 4.25Å; Y600-F633 AromaticContact CE2-CD2 3.88Å; Y600-F633 HydrophobicContact CE2-CD2 3.88Å; P608-F633 HydrophobicContact CB-CB 3.7Å; P608-F633 HydrophobicContact CB-CD2 4.4Å; P608-F633 HydrophobicContact CB-CG 4.05Å; P608-F633 WeakPolarHBondContact O-CB 3.46Å; F609-F633 HydrophobicContact CD1-CB 4.28Å; F609-F633 HydrophobicContact CE1-CB 4.22Å; F609-F633 AromaticContact CE1-CD1 3.66Å; F609-F633 HydrophobicContact CE1-CD1 3.66Å; F609-F633 HydrophobicContact CE1-CG 4.36Å; F609-F633 AromaticContact CZ-CD1 4Å; F609-F633 HydrophobicContact CZ-CD1 4Å; G631-F633 WeakPolarHBondContact O-CD1 3.43Å; G631-F633 WeakPolarHBondContact O-CE1 3.45Å; G631-F633 PolarHBondContact O-N 3.23Å; G631-F633 VanDerWaalsContact O-N 3.12Å; F633-F635 HydrophobicContact CD2-CE1 4.49Å; F633-F635 HydrophobicContact CE2-CE1 4.07Å; F633-F635 HydrophobicContact CE2-CE2 4.32Å; F633-F635 AromaticContact CE2-CZ 3.77Å; F633-F635 HydrophobicContact CE2-CZ 3.77Å; F633-I651 HydrophobicContact CE2-CG2 3.94Å; F633-I651 HydrophobicContact CZ-CG2 4.23Å; F633-Q652 HydrophobicContact CE2-CB 4.45Å; F633-Q652 HydrophobicContact CZ-CB 4.15Å; F633-Q652 HydrophobicContact CZ-CG 4.06Å; F633-L656 HydrophobicContact CD1-CD1 4.29Å; F633-L656 HydrophobicContact CE1-CB 3.78Å; F633-L656 HydrophobicContact CE1-CD1 3.84Å; F633-L656 HydrophobicContact CE1-CG 4.47Å; F633-L656 HydrophobicContact CE2-CD1 4.13Å; F633-L656 HydrophobicContact CZ-CB 3.86Å; F633-L656 HydrophobicContact CZ-CD1 3.75Å; F633-L656 HydrophobicContact CZ-CG 4.38Å | ||
| 634 | S | 78.9 | Confident | 75.2 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | trans | -132.2 | 142.8 | -175.7 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | Y600 G636 | Y600-S634 PolarHBondContact OH-O 2.86Å; S634-G636 PolarHBondContact O-N 3.25Å | ||
| 635 | F | 83.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 21% | 0.211 | 30% | 0.3 | C | S | . | . | trans | -86.6 | 36.2 | 168.4 | -56.9 | -57.1 | 0 | 0 | 0 | 111.7 | Y600 F633 W640 K648 I651 Q652 | Y600-F635 HydrophobicContact CD2-CE1 4.14Å; Y600-F635 HydrophobicContact CE2-CD1 4.2Å; Y600-F635 HydrophobicContact CE2-CE1 4.13Å; F633-F635 HydrophobicContact CD2-CE1 4.49Å; F633-F635 HydrophobicContact CE2-CE1 4.07Å; F633-F635 HydrophobicContact CE2-CE2 4.32Å; F633-F635 AromaticContact CE2-CZ 3.77Å; F633-F635 HydrophobicContact CE2-CZ 3.77Å; F635-W640 VanDerWaalsContact C-CD1 3.44Å; F635-W640 HydrophobicContact CB-CB 4.36Å; F635-W640 HydrophobicContact CB-CD2 4.08Å; F635-W640 HydrophobicContact CB-CE3 4.42Å; F635-W640 HydrophobicContact CB-CG 4.01Å; F635-W640 AromaticContact CD1-CD2 3.7Å; F635-W640 HydrophobicContact CD1-CD2 3.7Å; F635-W640 AromaticContact CD1-CE2 3.74Å; F635-W640 AromaticContact CD1-CE3 3.62Å; F635-W640 HydrophobicContact CD1-CE3 3.62Å; F635-W640 HydrophobicContact CD1-CG 4.49Å; F635-W640 AromaticContact CD1-CH2 3.72Å; F635-W640 HydrophobicContact CD1-CH2 3.72Å; F635-W640 AromaticContact CD1-CZ2 3.79Å; F635-W640 HydrophobicContact CD1-CZ2 3.79Å; F635-W640 AromaticContact CD1-CZ3 3.61Å; F635-W640 HydrophobicContact CD1-CZ3 3.61Å; F635-W640 HydrophobicContact CE1-CE3 4.27Å; F635-W640 AromaticContact CE1-CH2 3.76Å; F635-W640 HydrophobicContact CE1-CH2 3.76Å; F635-W640 HydrophobicContact CE1-CZ2 4.17Å; F635-W640 AromaticContact CE1-CZ3 3.8Å; F635-W640 HydrophobicContact CE1-CZ3 3.8Å; F635-W640 HydrophobicContact CG-CD2 4.35Å; F635-W640 HydrophobicContact CG-CE3 4.36Å; F635-W640 WeakPolarHBondContact O-CB 3.26Å; F635-K648 HydrophobicContact CB-CD 4.47Å; F635-K648 HydrophobicContact CD1-CG 4.05Å; F635-K648 HydrophobicContact CD2-CB 4.03Å; F635-K648 HydrophobicContact CD2-CD 4.42Å; F635-K648 HydrophobicContact CD2-CG 4.01Å; F635-K648 HydrophobicContact CE1-CB 4.36Å; F635-K648 HydrophobicContact CE1-CG 4.12Å; F635-K648 HydrophobicContact CE2-CB 3.7Å; F635-K648 HydrophobicContact CE2-CG 4.08Å; F635-K648 HydrophobicContact CG-CB 4.49Å; F635-K648 HydrophobicContact CG-CD 4.34Å; F635-K648 HydrophobicContact CG-CG 3.98Å; F635-K648 HydrophobicContact CZ-CB 3.87Å; F635-K648 HydrophobicContact CZ-CG 4.13Å; F635-K648 WeakPolarHBondContact CZ-O 3.43Å; F635-I651 HydrophobicContact CE1-CB 4.32Å; F635-I651 HydrophobicContact CE1-CD1 4.33Å; F635-I651 HydrophobicContact CE1-CG2 3.97Å; F635-I651 HydrophobicContact CZ-CB 4.05Å; F635-I651 HydrophobicContact CZ-CG2 3.86Å; F635-Q652 HydrophobicContact CE2-CB 3.92Å; F635-Q652 HydrophobicContact CZ-CB 4.02Å | ||
| 636 | G | 71.3 | Confident | 78.1 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | trans | -90.3 | 157.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S634 | S634-G636 PolarHBondContact O-N 3.25Š| ||
| 637 | G | 77.1 | Confident | 79.1 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 62% | 0.619 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 83.7 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A639 W640 | G637-A639 VanDerWaalsContact C-N 3.28Å; G637-A639 PolarHBondContact O-N 3.14Å; G637-W640 PolarHBondContact O-N 3.23Å |
| 638 | E | 78.1 | Confident | 80.1 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -66.4 | -28.5 | -168.5 | -55.6 | -160.8 | 97.5 | 0 | 0 | 113.6 | W640 R641 M687 | E638-W640 PolarHBondContact O-N 3Å; E638-R641 WeakPolarHBondContact O-CB 3.49Å; E638-R641 PolarHBondContact O-N 2.89Å; E638-R641 IonicContact OE1-CZ 3.99Å; E638-R641 IonicContact OE1-NH1 2.67Å; E638-R641 PolarHBondContact OE1-NH1 3.2Å; E638-R641 IonicContact OE1-NH2 3.85Å; E638-R641 PolarHBondContact OE1-NH2 3.14Å; E638-M687 HydrophobicContact CB-CE 4.27Å; E638-M687 HydrophobicContact CB-SD 3.93Å; E638-M687 VanDerWaalsContact O-SD 3.37Å |
| 639 | A | 80.7 | Confident | 81 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -49 | -36.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G637 I691 | G637-A639 VanDerWaalsContact C-N 3.28Å; G637-A639 PolarHBondContact O-N 3.14Å; A639-I691 HydrophobicContact CB-CD1 3.43Å; A639-I691 VanDerWaalsContact CB-CD1 3.43Å |
| 640 | W | 86.1 | Confident | 82.1 | Confident | 6 Ų | 6 | 52 Ų | 52 | 2% | 0.023 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -94.5 | 4.9 | -174.4 | -67.4 | 99.1 | 0 | 0 | 0 | 114.2 | Y600 L603 F635 G637 E638 N642 V643 K648 I651 | Y600-W640 AromaticContact CD1-CZ2 3.98Å; Y600-W640 HydrophobicContact CD1-CZ2 3.98Å; Y600-W640 AromaticContact CD2-CH2 3.71Å; Y600-W640 HydrophobicContact CD2-CH2 3.71Å; Y600-W640 AromaticContact CD2-CZ2 3.47Å; Y600-W640 HydrophobicContact CD2-CZ2 3.47Å; Y600-W640 VanDerWaalsContact CD2-CZ2 3.47Å; Y600-W640 AromaticContact CE1-CZ2 3.81Å; Y600-W640 HydrophobicContact CE1-CZ2 3.81Å; Y600-W640 AromaticContact CE2-CH2 3.95Å; Y600-W640 HydrophobicContact CE2-CH2 3.95Å; Y600-W640 AromaticContact CE2-CZ2 3.27Å; Y600-W640 HydrophobicContact CE2-CZ2 3.27Å; Y600-W640 HydrophobicContact CG-CH2 4.04Å; Y600-W640 AromaticContact CG-CZ2 3.82Å; Y600-W640 HydrophobicContact CG-CZ2 3.82Å; Y600-W640 AromaticContact CZ-CZ2 3.45Å; Y600-W640 VanDerWaalsContact CZ-CZ2 3.45Å; L603-W640 HydrophobicContact CB-CH2 4.22Å; L603-W640 HydrophobicContact CB-CZ3 4.18Å; F635-W640 VanDerWaalsContact C-CD1 3.44Å; F635-W640 HydrophobicContact CB-CB 4.36Å; F635-W640 HydrophobicContact CB-CD2 4.08Å; F635-W640 HydrophobicContact CB-CE3 4.42Å; F635-W640 HydrophobicContact CB-CG 4.01Å; F635-W640 AromaticContact CD1-CD2 3.7Å; F635-W640 HydrophobicContact CD1-CD2 3.7Å; F635-W640 AromaticContact CD1-CE2 3.74Å; F635-W640 AromaticContact CD1-CE3 3.62Å; F635-W640 HydrophobicContact CD1-CE3 3.62Å; F635-W640 HydrophobicContact CD1-CG 4.49Å; F635-W640 AromaticContact CD1-CH2 3.72Å; F635-W640 HydrophobicContact CD1-CH2 3.72Å; F635-W640 AromaticContact CD1-CZ2 3.79Å; F635-W640 HydrophobicContact CD1-CZ2 3.79Å; F635-W640 AromaticContact CD1-CZ3 3.61Å; F635-W640 HydrophobicContact CD1-CZ3 3.61Å; F635-W640 HydrophobicContact CE1-CE3 4.27Å; F635-W640 AromaticContact CE1-CH2 3.76Å; F635-W640 HydrophobicContact CE1-CH2 3.76Å; F635-W640 HydrophobicContact CE1-CZ2 4.17Å; F635-W640 AromaticContact CE1-CZ3 3.8Å; F635-W640 HydrophobicContact CE1-CZ3 3.8Å; F635-W640 HydrophobicContact CG-CD2 4.35Å; F635-W640 HydrophobicContact CG-CE3 4.36Å; F635-W640 WeakPolarHBondContact O-CB 3.26Å; G637-W640 PolarHBondContact O-N 3.23Å; E638-W640 PolarHBondContact O-N 3Å; W640-N642 PolarHBondContact O-N 3.18Å; W640-V643 HydrophobicContact CE3-CB 3.93Å; W640-V643 HydrophobicContact CE3-CG1 3.91Å; W640-V643 HydrophobicContact CE3-CG2 3.91Å; W640-V643 HydrophobicContact CZ3-CB 4.38Å; W640-V643 HydrophobicContact CZ3-CG1 3.89Å; W640-V643 HydrophobicContact CZ3-CG2 4.29Å; W640-K648 HydrophobicContact CE3-CG 4.16Å; W640-K648 HydrophobicContact CZ3-CG 4.28Å; W640-K648 PolarHBondContact O-NZ 2.82Å; W640-I651 HydrophobicContact CH2-CD1 3.84Å; W640-I651 HydrophobicContact CZ3-CD1 4.14Å |
| 641 | R | 83.1 | Confident | 82.7 | Confident | 159 Ų | 159 | 46.5 Ų | 46.5 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -62.1 | -41.2 | -178 | -178.3 | -178.7 | -74.2 | 144.7 | 1.6 | 113 | E638 | E638-R641 WeakPolarHBondContact O-CB 3.49Å; E638-R641 PolarHBondContact O-N 2.89Å; E638-R641 IonicContact OE1-CZ 3.99Å; E638-R641 IonicContact OE1-NH1 2.67Å; E638-R641 PolarHBondContact OE1-NH1 3.2Å; E638-R641 IonicContact OE1-NH2 3.85Å; E638-R641 PolarHBondContact OE1-NH2 3.14Å |
| 642 | N | 83.7 | Confident | 83.3 | Confident | 53 Ų | 53 | 50.8 Ų | 50.8 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -99.7 | -0.4 | -172.6 | -65.3 | -1.1 | 0 | 0 | 0 | 113.8 | W640 S682 P685 | W640-N642 PolarHBondContact O-N 3.18Å; N642-S682 PolarHBondContact O-OG 3.15Å; N642-P685 PolarHBondContact ND2-O 3.2Å |
| 643 | V | 87.6 | Confident | 83.4 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -88.1 | 132 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | E505 L603 W640 A647 K648 L686 | E505-V643 WeakPolarHBondContact OE2-CA 3.41Å; L603-V643 HydrophobicContact CB-CG1 4.49Å; L603-V643 HydrophobicContact CB-CG2 4.21Å; L603-V643 HydrophobicContact CD1-CG1 4.01Å; L603-V643 WeakPolarHBondContact O-CG2 3.5Å; W640-V643 HydrophobicContact CE3-CB 3.93Å; W640-V643 HydrophobicContact CE3-CG1 3.91Å; W640-V643 HydrophobicContact CE3-CG2 3.91Å; W640-V643 HydrophobicContact CZ3-CB 4.38Å; W640-V643 HydrophobicContact CZ3-CG1 3.89Å; W640-V643 HydrophobicContact CZ3-CG2 4.29Å; V643-A647 HydrophobicContact CG1-CB 3.7Å; V643-K648 HydrophobicContact CG1-CG 4.37Å; V643-K648 WeakPolarHBondContact O-CE 3.43Å; V643-K648 PolarHBondContact O-NZ 2.85Å; V643-L686 HydrophobicContact CG2-CD2 3.69Å |
| 644 | S | 89.7 | Confident | 83.6 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | trans | -63.2 | 163 | 179.4 | 80.8 | 0 | 0 | 0 | 0 | 113.5 | E505 Q646 A647 K648 | E505-S644 WeakPolarHBondContact OE1-CB 3.29Å; E505-S644 PolarHBondContact OE1-OG 3.38Å; E505-S644 PolarHBondContact OE2-N 2.88Å; S644-Q646 PolarHBondContact OG-N 3.07Å; S644-A647 PolarHBondContact OG-N 2.88Å; S644-A647 VanDerWaalsContact OG-N 3.1Å; S644-K648 WeakPolarHBondContact O-CD 3.37Å; S644-K648 WeakPolarHBondContact O-CG 3.3Å; S644-K648 PolarHBondContact O-N 3.45Å | ||
| 645 | Q | 86.3 | Confident | 83.8 | Confident | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70 | -35.2 | 171.2 | -168.5 | 57.2 | 40.6 | 0 | 0 | 111.6 | A647 K648 D649 | Q645-A647 VanDerWaalsContact C-N 3.29Å; Q645-A647 PolarHBondContact O-N 3.05Å; Q645-K648 CarbonylContact O-C 3.55Å; Q645-K648 WeakPolarHBondContact O-CA 3.42Å; Q645-K648 WeakPolarHBondContact O-CB 3.36Å; Q645-K648 PolarHBondContact O-N 3.28Å; Q645-D649 PolarHBondContact NE2-OD1 3.23Å; Q645-D649 PolarHBondContact O-N 2.74Å |
| 646 | Q | 87.2 | Confident | 83.8 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.2 | -40 | 177.8 | -65.1 | 171 | -12.4 | 0 | 0 | 111.9 | S644 L650 W674 | S644-Q646 PolarHBondContact OG-N 3.07Å; Q646-L650 WeakPolarHBondContact O-CB 3.15Å; Q646-L650 PolarHBondContact O-N 2.84Å; Q646-W674 HydrophobicContact CB-CB 4.44Å |
| 647 | A | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L603 V643 S644 Q645 I651 W674 | L603-A647 HydrophobicContact CD1-CB 3.59Å; V643-A647 HydrophobicContact CG1-CB 3.7Å; S644-A647 PolarHBondContact OG-N 2.88Å; S644-A647 VanDerWaalsContact OG-N 3.1Å; Q645-A647 VanDerWaalsContact C-N 3.29Å; Q645-A647 PolarHBondContact O-N 3.05Å; A647-I651 WeakPolarHBondContact O-CG1 3.42Å; A647-I651 PolarHBondContact O-N 3.38Å; A647-W674 HydrophobicContact CB-CZ2 4.24Å; A647-W674 VanDerWaalsContact CB-NE1 3.34Å |
| 648 | K | 88.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 45 Ų | 45 | 12% | 0.122 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 178.6 | -70.8 | 162 | -179.8 | 155.5 | 0 | 111.2 | F635 W640 V643 S644 Q645 I651 Q652 | F635-K648 HydrophobicContact CB-CD 4.47Å; F635-K648 HydrophobicContact CD1-CG 4.05Å; F635-K648 HydrophobicContact CD2-CB 4.03Å; F635-K648 HydrophobicContact CD2-CD 4.42Å; F635-K648 HydrophobicContact CD2-CG 4.01Å; F635-K648 HydrophobicContact CE1-CB 4.36Å; F635-K648 HydrophobicContact CE1-CG 4.12Å; F635-K648 HydrophobicContact CE2-CB 3.7Å; F635-K648 HydrophobicContact CE2-CG 4.08Å; F635-K648 HydrophobicContact CG-CB 4.49Å; F635-K648 HydrophobicContact CG-CD 4.34Å; F635-K648 HydrophobicContact CG-CG 3.98Å; F635-K648 HydrophobicContact CZ-CB 3.87Å; F635-K648 HydrophobicContact CZ-CG 4.13Å; F635-K648 WeakPolarHBondContact CZ-O 3.43Å; W640-K648 HydrophobicContact CE3-CG 4.16Å; W640-K648 HydrophobicContact CZ3-CG 4.28Å; W640-K648 PolarHBondContact O-NZ 2.82Å; V643-K648 HydrophobicContact CG1-CG 4.37Å; V643-K648 WeakPolarHBondContact O-CE 3.43Å; V643-K648 PolarHBondContact O-NZ 2.85Å; S644-K648 WeakPolarHBondContact O-CD 3.37Å; S644-K648 WeakPolarHBondContact O-CG 3.3Å; S644-K648 PolarHBondContact O-N 3.45Å; Q645-K648 CarbonylContact O-C 3.55Å; Q645-K648 WeakPolarHBondContact O-CA 3.42Å; Q645-K648 WeakPolarHBondContact O-CB 3.36Å; Q645-K648 PolarHBondContact O-N 3.28Å; K648-I651 PolarHBondContact O-N 3.01Å; K648-Q652 VanDerWaalsContact O-CB 3.31Å; K648-Q652 WeakPolarHBondContact O-CB 3.5Å; K648-Q652 PolarHBondContact O-N 2.98Å |
| 649 | D | 86.3 | Confident | 84.3 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 176.5 | -61.8 | -22.7 | 0 | 0 | 0 | 111.3 | Q645 I651 Q652 A653 | Q645-D649 PolarHBondContact NE2-OD1 3.23Å; Q645-D649 PolarHBondContact O-N 2.74Å; D649-I651 VanDerWaalsContact C-N 3.3Å; D649-I651 PolarHBondContact O-N 3.29Å; D649-Q652 PolarHBondContact O-N 3.03Å; D649-A653 WeakPolarHBondContact O-CB 3.31Å; D649-A653 PolarHBondContact O-N 2.88Å |
| 650 | L | 88.1 | Confident | 84 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -57.9 | -40.9 | 173.2 | 171.3 | 60.5 | 0 | 0 | 0 | 112 | L599 Q646 E654 L655 L669 W674 | L599-L650 HydrophobicContact CD2-CD2 3.72Å; L599-L650 HydrophobicContact CD2-CG 4.03Å; Q646-L650 WeakPolarHBondContact O-CB 3.15Å; Q646-L650 PolarHBondContact O-N 2.84Å; L650-E654 HydrophobicContact CD1-CB 4.17Å; L650-E654 VanDerWaalsContact CD1-OE2 3.24Å; L650-E654 WeakPolarHBondContact CD1-OE2 3.42Å; L650-E654 WeakPolarHBondContact O-CB 3.49Å; L650-L655 HydrophobicContact CD1-CD1 3.79Å; L650-L655 HydrophobicContact CD1-CG 3.93Å; L650-L655 HydrophobicContact CG-CD1 3.88Å; L650-L655 HydrophobicContact CG-CG 4.43Å; L650-L655 WeakPolarHBondContact O-CB 3.29Å; L650-L655 WeakPolarHBondContact O-CG 3.36Å; L650-L655 PolarHBondContact O-N 3.37Å; L650-L669 HydrophobicContact CD1-CD1 3.71Å; L650-W674 HydrophobicContact CD2-CB 4.17Å; L650-W674 HydrophobicContact CD2-CD2 3.83Å; L650-W674 HydrophobicContact CD2-CE3 3.3Å; L650-W674 HydrophobicContact CD2-CG 4.19Å; L650-W674 HydrophobicContact CD2-CZ3 4.01Å |
| 651 | I | 86.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -67 | -50.1 | 174.2 | -70.7 | 169.2 | 0 | 0 | 0 | 111 | L599 Y600 L603 F633 F635 W640 A647 K648 D649 L656 | L599-I651 HydrophobicContact CD2-CD1 4.5Å; L599-I651 HydrophobicContact CD2-CG1 3.91Å; L599-I651 HydrophobicContact CG-CD1 4.16Å; L599-I651 HydrophobicContact CG-CG1 4.03Å; Y600-I651 HydrophobicContact CD2-CG2 4.18Å; L603-I651 HydrophobicContact CD1-CD1 4.08Å; F633-I651 HydrophobicContact CE2-CG2 3.94Å; F633-I651 HydrophobicContact CZ-CG2 4.23Å; F635-I651 HydrophobicContact CE1-CB 4.32Å; F635-I651 HydrophobicContact CE1-CD1 4.33Å; F635-I651 HydrophobicContact CE1-CG2 3.97Å; F635-I651 HydrophobicContact CZ-CB 4.05Å; F635-I651 HydrophobicContact CZ-CG2 3.86Å; W640-I651 HydrophobicContact CH2-CD1 3.84Å; W640-I651 HydrophobicContact CZ3-CD1 4.14Å; A647-I651 WeakPolarHBondContact O-CG1 3.42Å; A647-I651 PolarHBondContact O-N 3.38Å; K648-I651 PolarHBondContact O-N 3.01Å; D649-I651 VanDerWaalsContact C-N 3.3Å; D649-I651 PolarHBondContact O-N 3.29Å; I651-L656 HydrophobicContact CG2-CD1 3.63Å; I651-L656 HydrophobicContact CG2-CG 4.01Å; I651-L656 VanDerWaalsContact O-CB 3.26Å; I651-L656 WeakPolarHBondContact O-CB 3.45Å; I651-L656 WeakPolarHBondContact O-CG 3.19Å; I651-L656 PolarHBondContact O-N 3.02Å |
| 652 | Q | 84.3 | Confident | 83.4 | Confident | 109 Ų | 109 | 49.1 Ų | 49.1 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -87.6 | -41 | -165.4 | -172.5 | 178.9 | 11.6 | 0 | 0 | 115.1 | F633 F635 K648 D649 | F633-Q652 HydrophobicContact CE2-CB 4.45Å; F633-Q652 HydrophobicContact CZ-CB 4.15Å; F633-Q652 HydrophobicContact CZ-CG 4.06Å; F635-Q652 HydrophobicContact CE2-CB 3.92Å; F635-Q652 HydrophobicContact CZ-CB 4.02Å; K648-Q652 VanDerWaalsContact O-CB 3.31Å; K648-Q652 WeakPolarHBondContact O-CB 3.5Å; K648-Q652 PolarHBondContact O-N 2.98Å; D649-Q652 PolarHBondContact O-N 3.03Å |
| 653 | A | 76.1 | Confident | 83.5 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 56% | 0.562 | 25% | 0.246 | S | C | * | . | I | π-helix | trans | -93.6 | -24.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D649 T657 | D649-A653 WeakPolarHBondContact O-CB 3.31Å; D649-A653 PolarHBondContact O-N 2.88Å; A653-T657 PolarHBondContact O-OG1 3.38Å |
| 654 | E | 84.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -108.5 | -55.5 | -174.5 | -66.9 | -172.9 | -173.5 | 0 | 0 | 113.6 | L650 R663 I664 N672 | L650-E654 HydrophobicContact CD1-CB 4.17Å; L650-E654 VanDerWaalsContact CD1-OE2 3.24Å; L650-E654 WeakPolarHBondContact CD1-OE2 3.42Å; L650-E654 WeakPolarHBondContact O-CB 3.49Å; E654-R663 WeakPolarHBondContact O-CG 3.17Å; E654-I664 HydrophobicContact CB-CB 3.9Å; E654-I664 HydrophobicContact CB-CD1 4.3Å; E654-I664 HydrophobicContact CB-CG2 3.84Å; E654-I664 HydrophobicContact CG-CB 4.39Å; E654-I664 HydrophobicContact CG-CD1 4.14Å; E654-I664 WeakPolarHBondContact O-CG2 3.49Å; E654-I664 PolarHBondContact O-N 3.05Å; E654-I664 WeakPolarHBondContact OE2-CD1 3.23Å; E654-N672 VanDerWaalsContact CD-ND2 3.27Å; E654-N672 PolarHBondContact OE1-ND2 2.75Å; E654-N672 VanDerWaalsContact OE1-ND2 3.08Å; E654-N672 PolarHBondContact OE2-ND2 3.33Å |
| 655 | L | 83.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -91.2 | -47.8 | -169.9 | -62.9 | 171.6 | 0 | 0 | 0 | 114.4 | M512 L592 L599 L650 T657 R663 I664 L669 | M512-L655 HydrophobicContact CE-CD1 3.87Å; L592-L655 HydrophobicContact CD2-CD2 4.48Å; L599-L655 HydrophobicContact CD2-CD1 4.02Å; L650-L655 HydrophobicContact CD1-CD1 3.79Å; L650-L655 HydrophobicContact CD1-CG 3.93Å; L650-L655 HydrophobicContact CG-CD1 3.88Å; L650-L655 HydrophobicContact CG-CG 4.43Å; L650-L655 WeakPolarHBondContact O-CB 3.29Å; L650-L655 WeakPolarHBondContact O-CG 3.36Å; L650-L655 PolarHBondContact O-N 3.37Å; L655-T657 PolarHBondContact O-N 3.38Å; L655-R663 WeakPolarHBondContact O-CD 3.35Å; L655-I664 HydrophobicContact CD2-CG2 3.8Å; L655-L669 HydrophobicContact CD2-CD1 4.02Å; L655-L669 HydrophobicContact CD2-CD2 3.8Å |
| 656 | L | 84 | Confident | 83.4 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -89.4 | 27.4 | 179.6 | -56.6 | -171.7 | 0 | 0 | 0 | 113.2 | W593 V597 P608 F633 I651 V658 | W593-L656 HydrophobicContact CD2-CD2 3.9Å; W593-L656 HydrophobicContact CE3-CB 4.42Å; W593-L656 HydrophobicContact CE3-CD2 4.26Å; W593-L656 HydrophobicContact CG-CD2 4.19Å; W593-L656 HydrophobicContact CH2-CB 4.47Å; W593-L656 HydrophobicContact CZ2-CD2 4.46Å; W593-L656 HydrophobicContact CZ3-CB 4.23Å; W593-L656 WeakPolarHBondContact CZ3-O 3.33Å; V597-L656 HydrophobicContact CG2-CD1 4.46Å; V597-L656 HydrophobicContact CG2-CD2 3.49Å; V597-L656 VanDerWaalsContact CG2-CD2 3.49Å; P608-L656 HydrophobicContact CB-CD1 4.44Å; P608-L656 HydrophobicContact CG-CD1 4.39Å; F633-L656 HydrophobicContact CD1-CD1 4.29Å; F633-L656 HydrophobicContact CE1-CB 3.78Å; F633-L656 HydrophobicContact CE1-CD1 3.84Å; F633-L656 HydrophobicContact CE1-CG 4.47Å; F633-L656 HydrophobicContact CE2-CD1 4.13Å; F633-L656 HydrophobicContact CZ-CB 3.86Å; F633-L656 HydrophobicContact CZ-CD1 3.75Å; F633-L656 HydrophobicContact CZ-CG 4.38Å; I651-L656 HydrophobicContact CG2-CD1 3.63Å; I651-L656 HydrophobicContact CG2-CG 4.01Å; I651-L656 VanDerWaalsContact O-CB 3.26Å; I651-L656 WeakPolarHBondContact O-CB 3.45Å; I651-L656 WeakPolarHBondContact O-CG 3.19Å; I651-L656 PolarHBondContact O-N 3.02Å; L656-V658 PolarHBondContact O-N 2.96Å |
| 657 | T | 83.1 | Confident | 83.2 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | trans | -71.6 | 117.9 | 176 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | A653 L655 D659 K662 R663 | A653-T657 PolarHBondContact O-OG1 3.38Å; L655-T657 PolarHBondContact O-N 3.38Å; T657-D659 PolarHBondContact O-N 3.44Å; T657-K662 HydrophobicContact CG2-CB 3.97Å; T657-R663 PolarHBondContact O-NE 3.12Å; T657-R663 PolarHBondContact O-NH2 2.73Å | ||
| 658 | V | 78.6 | Confident | 83.1 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 21% | 0.212 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -63.4 | -22.4 | -173.5 | 172.9 | 0 | 0 | 0 | 0 | 113.5 | P578 W593 L656 | P578-V658 HydrophobicContact CB-CG1 3.98Å; P578-V658 HydrophobicContact CG-CB 4.28Å; P578-V658 HydrophobicContact CG-CG1 4.01Å; P578-V658 HydrophobicContact CG-CG2 4.29Å; W593-V658 HydrophobicContact CH2-CG2 4.4Å; W593-V658 HydrophobicContact CZ3-CG2 4.42Å; L656-V658 PolarHBondContact O-N 2.96Å |
| 659 | D | 75.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -102.3 | 111.2 | 179.5 | -174 | -12.9 | 0 | 0 | 0 | 109.5 | T657 D661 K662 R663 | T657-D659 PolarHBondContact O-N 3.44Å; D659-D661 VanDerWaalsContact C-N 3.29Å; D659-D661 PolarHBondContact O-N 3.27Å; D659-D661 PolarHBondContact OD1-N 2.98Å; D659-K662 HydrophobicContact CB-CB 4.23Å; D659-K662 HydrophobicContact CB-CD 4.34Å; D659-K662 HydrophobicContact CB-CG 4.33Å; D659-K662 CarbonylContact O-C 3.6Å; D659-K662 PolarHBondContact O-N 3.5Å; D659-K662 VanDerWaalsContact O-N 3.08Å; D659-K662 IonicContact OD2-NZ 2.74Å; D659-K662 PolarHBondContact OD2-NZ 3.2Å; D659-R663 PolarHBondContact O-N 3.02Å |
| 660 | P | 73.2 | Confident | 83 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -64.6 | -31.8 | -173.8 | 27.6 | -36.4 | 0 | 0 | 0 | 112.8 | E579 K662 R663 | E579-P660 HydrophobicContact CB-CG 3.92Å; E579-P660 HydrophobicContact CG-CB 4.13Å; E579-P660 HydrophobicContact CG-CG 3.92Å; P660-K662 PolarHBondContact O-N 3.23Å; P660-R663 PolarHBondContact O-N 2.77Å |
| 661 | D | 75.3 | Confident | 82.8 | Confident | 136 Ų | 136 | 58.3 Ų | 58.3 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -68.4 | -19 | 177.5 | -73.9 | -53.2 | 0 | 0 | 0 | 112.5 | D659 | D659-D661 VanDerWaalsContact C-N 3.29Å; D659-D661 PolarHBondContact O-N 3.27Å; D659-D661 PolarHBondContact OD1-N 2.98Å |
| 662 | K | 81.5 | Confident | 82.9 | Confident | 149 Ų | 149 | 59.3 Ų | 59.3 | 65% | 0.648 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -102.9 | -9.1 | 174 | -61.7 | -174.9 | -179.3 | 63.2 | 0 | 113.9 | T657 D659 P660 | T657-K662 HydrophobicContact CG2-CB 3.97Å; D659-K662 HydrophobicContact CB-CB 4.23Å; D659-K662 HydrophobicContact CB-CD 4.34Å; D659-K662 HydrophobicContact CB-CG 4.33Å; D659-K662 CarbonylContact O-C 3.6Å; D659-K662 PolarHBondContact O-N 3.5Å; D659-K662 VanDerWaalsContact O-N 3.08Å; D659-K662 IonicContact OD2-NZ 2.74Å; D659-K662 PolarHBondContact OD2-NZ 3.2Å; P660-K662 PolarHBondContact O-N 3.23Å |
| 663 | R | 86.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -69.4 | 149 | 178.4 | -164.1 | 178 | -58.6 | 133.6 | 13.9 | 109.9 | E579 S589 E654 L655 T657 D659 P660 K665 | E579-R663 IonicContact OE1-CZ 3.46Å; E579-R663 IonicContact OE1-NH1 2.99Å; E579-R663 PolarHBondContact OE1-NH1 2.91Å; E579-R663 IonicContact OE1-NH2 2.74Å; E579-R663 IonicContact OE2-CZ 2.82Å; E579-R663 IonicContact OE2-NH1 2.82Å; E579-R663 PolarHBondContact OE2-NH1 3.21Å; E579-R663 IonicContact OE2-NH2 3.26Å; E579-R663 PolarHBondContact OE2-NH2 3.27Å; S589-R663 PolarHBondContact O-NH1 3.1Å; S589-R663 PolarHBondContact OG-NH1 3.41Å; S589-R663 VanDerWaalsContact OG-NH1 3.11Å; E654-R663 WeakPolarHBondContact O-CG 3.17Å; L655-R663 WeakPolarHBondContact O-CD 3.35Å; T657-R663 PolarHBondContact O-NE 3.12Å; T657-R663 PolarHBondContact O-NH2 2.73Å; D659-R663 PolarHBondContact O-N 3.02Å; P660-R663 PolarHBondContact O-N 2.77Å; R663-K665 PolarHBondContact O-N 3.29Å |
| 664 | I | 86.8 | Confident | 83.5 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -62 | 133.8 | 177.5 | -165 | 161.6 | 0 | 0 | 0 | 110.6 | L592 E654 L655 L669 | L592-I664 WeakPolarHBondContact CD1-O 3.44Å; E654-I664 HydrophobicContact CB-CB 3.9Å; E654-I664 HydrophobicContact CB-CD1 4.3Å; E654-I664 HydrophobicContact CB-CG2 3.84Å; E654-I664 HydrophobicContact CG-CB 4.39Å; E654-I664 HydrophobicContact CG-CD1 4.14Å; E654-I664 WeakPolarHBondContact O-CG2 3.49Å; E654-I664 PolarHBondContact O-N 3.05Å; E654-I664 WeakPolarHBondContact OE2-CD1 3.23Å; L655-I664 HydrophobicContact CD2-CG2 3.8Å; I664-L669 HydrophobicContact CD1-CB 4.18Å; I664-L669 HydrophobicContact CG1-CB 4.27Å; I664-L669 HydrophobicContact CG2-CB 4.18Å; I664-L669 HydrophobicContact CG2-CD1 4.48Å |
| 665 | K | 86.9 | Confident | 83.5 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 153.6 | 174.3 | -58.3 | -167.4 | 179 | -166.8 | 0 | 109.7 | R663 C667 G668 L669 | R663-K665 PolarHBondContact O-N 3.29Å; K665-C667 PolarHBondContact O-N 3.22Å; K665-C667 VanDerWaalsContact O-N 3.11Å; K665-G668 WeakPolarHBondContact O-CA 3.5Å; K665-G668 PolarHBondContact O-N 2.97Å; K665-L669 PolarHBondContact O-N 2.95Å |
| 666 | M | 87.4 | Confident | 83.3 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.8 | -37.8 | -174.4 | -172.7 | 60.1 | 73.5 | 0 | 0 | 113.2 | V516 V519 L592 G668 L669 R670 | V516-M666 HydrophobicContact CG1-SD 4.05Å; V519-M666 HydrophobicContact CB-CE 3.91Å; V519-M666 HydrophobicContact CG1-CE 3.53Å; L592-M666 HydrophobicContact CD2-CE 3.88Å; L592-M666 HydrophobicContact CD2-SD 4.32Å; L592-M666 HydrophobicContact CG-CE 4.22Å; M666-G668 VanDerWaalsContact C-N 3.26Å; M666-G668 PolarHBondContact O-N 3.31Å; M666-L669 PolarHBondContact O-N 3.37Å; M666-R670 WeakPolarHBondContact O-CB 3.43Å; M666-R670 PolarHBondContact O-N 2.86Å |
| 667 | C | 83.9 | Confident | 82.7 | Confident | 96 Ų | 96 | 59 Ų | 59 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.3 | -25 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | K665 Y671 | K665-C667 PolarHBondContact O-N 3.22Å; K665-C667 VanDerWaalsContact O-N 3.11Å; C667-Y671 VanDerWaalsContact O-CD2 3.27Å; C667-Y671 WeakPolarHBondContact O-CD2 3.2Å |
| 668 | G | 84.8 | Confident | 82 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -84.9 | -49 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K665 M666 R670 Y671 N672 | K665-G668 WeakPolarHBondContact O-CA 3.5Å; K665-G668 PolarHBondContact O-N 2.97Å; M666-G668 VanDerWaalsContact C-N 3.26Å; M666-G668 PolarHBondContact O-N 3.31Å; G668-R670 VanDerWaalsContact C-N 3.25Å; G668-R670 PolarHBondContact O-N 3.44Å; G668-Y671 CarbonylContact O-C 3.14Å; G668-Y671 PolarHBondContact O-N 3.38Å; G668-N672 PolarHBondContact O-N 3.29Å |
| 669 | L | 88 | Confident | 81.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56 | -41 | -176.7 | 179.1 | 61.2 | 0 | 0 | 0 | 112 | V516 L592 L650 L655 I664 K665 M666 Y671 N672 L675 | V516-L669 HydrophobicContact CG1-CD2 4.24Å; V516-L669 HydrophobicContact CG1-CG 4.14Å; V516-L669 HydrophobicContact CG2-CD2 3.72Å; V516-L669 HydrophobicContact CG2-CG 4.11Å; L592-L669 HydrophobicContact CD2-CB 4.31Å; L592-L669 HydrophobicContact CD2-CD2 3.4Å; L592-L669 HydrophobicContact CD2-CG 4.49Å; L650-L669 HydrophobicContact CD1-CD1 3.71Å; L655-L669 HydrophobicContact CD2-CD1 4.02Å; L655-L669 HydrophobicContact CD2-CD2 3.8Å; I664-L669 HydrophobicContact CD1-CB 4.18Å; I664-L669 HydrophobicContact CG1-CB 4.27Å; I664-L669 HydrophobicContact CG2-CB 4.18Å; I664-L669 HydrophobicContact CG2-CD1 4.48Å; K665-L669 PolarHBondContact O-N 2.95Å; M666-L669 PolarHBondContact O-N 3.37Å; L669-Y671 PolarHBondContact O-N 3.13Å; L669-N672 HydrophobicContact CD1-CB 4.41Å; L669-N672 WeakPolarHBondContact O-CB 3.42Å; L669-N672 PolarHBondContact O-N 3.49Å; L669-L675 HydrophobicContact CD1-CD1 3.94Å; L669-L675 HydrophobicContact CG-CD1 4.23Å; L669-L675 WeakPolarHBondContact O-CD1 3.29Å |
| 670 | R | 85.4 | Confident | 80.4 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -25.4 | 175.8 | 173.4 | 172.8 | 156.6 | 165.5 | -5.6 | 114 | M666 G668 Q676 | M666-R670 WeakPolarHBondContact O-CB 3.43Å; M666-R670 PolarHBondContact O-N 2.86Å; G668-R670 VanDerWaalsContact C-N 3.25Å; G668-R670 PolarHBondContact O-N 3.44Å; R670-Q676 PolarHBondContact O-NE2 3.19Å |
| 671 | Y | 83.8 | Confident | 80.3 | Confident | 150 Ų | 150 | 66 Ų | 66 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 13 | 179.2 | -54.6 | -74.4 | 0 | 0 | 0 | 113.7 | C667 G668 L669 | C667-Y671 VanDerWaalsContact O-CD2 3.27Å; C667-Y671 WeakPolarHBondContact O-CD2 3.2Å; G668-Y671 CarbonylContact O-C 3.14Å; G668-Y671 PolarHBondContact O-N 3.38Å; L669-Y671 PolarHBondContact O-N 3.13Å |
| 672 | N | 87.4 | Confident | 80.1 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | trans | -59.2 | 139.3 | 174 | 175.1 | -74.5 | 0 | 0 | 0 | 110.7 | E654 G668 L669 W674 L675 Q676 | E654-N672 VanDerWaalsContact CD-ND2 3.27Å; E654-N672 PolarHBondContact OE1-ND2 2.75Å; E654-N672 VanDerWaalsContact OE1-ND2 3.08Å; E654-N672 PolarHBondContact OE2-ND2 3.33Å; G668-N672 PolarHBondContact O-N 3.29Å; L669-N672 HydrophobicContact CD1-CB 4.41Å; L669-N672 WeakPolarHBondContact O-CB 3.42Å; L669-N672 PolarHBondContact O-N 3.49Å; N672-W674 PolarHBondContact O-N 3.32Å; N672-W674 VanDerWaalsContact OD1-CB 3.3Å; N672-W674 WeakPolarHBondContact OD1-CB 3.39Å; N672-W674 PolarHBondContact OD1-N 2.89Å; N672-L675 PolarHBondContact O-N 2.91Å; N672-Q676 PolarHBondContact O-N 2.94Å | ||
| 673 | A | 84.4 | Confident | 79.8 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | L675 Q676 D677 | A673-L675 PolarHBondContact O-N 2.7Å; A673-Q676 PolarHBondContact O-N 1.85Å; A673-D677 PolarHBondContact O-N 3.3Å |
| 674 | W | 88.3 | Confident | 79.5 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.011 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.1 | -27.8 | 177.3 | -177 | 86.6 | 0 | 0 | 0 | 112.3 | E505 A508 S509 M512 L599 L603 Q646 A647 L650 N672 L681 | E505-W674 HydrophobicContact CG-CZ2 3.79Å; E505-W674 PolarHBondContact OE1-NE1 3.01Å; A508-W674 HydrophobicContact CB-CH2 4.48Å; S509-W674 PolarHBondContact OG-O 2.89Å; M512-W674 HydrophobicContact CB-CZ3 4.05Å; M512-W674 HydrophobicContact CG-CZ3 4.14Å; L599-W674 HydrophobicContact CD1-CH2 3.46Å; L599-W674 VanDerWaalsContact CD1-CH2 3.46Å; L599-W674 HydrophobicContact CD1-CZ2 4.29Å; L599-W674 HydrophobicContact CD1-CZ3 3.86Å; L599-W674 HydrophobicContact CD2-CH2 4.44Å; L599-W674 HydrophobicContact CD2-CZ3 4.17Å; L603-W674 HydrophobicContact CD1-CZ2 4.31Å; L603-W674 HydrophobicContact CD2-CZ2 4.39Å; Q646-W674 HydrophobicContact CB-CB 4.44Å; A647-W674 HydrophobicContact CB-CZ2 4.24Å; A647-W674 VanDerWaalsContact CB-NE1 3.34Å; L650-W674 HydrophobicContact CD2-CB 4.17Å; L650-W674 HydrophobicContact CD2-CD2 3.83Å; L650-W674 HydrophobicContact CD2-CE3 3.3Å; L650-W674 HydrophobicContact CD2-CG 4.19Å; L650-W674 HydrophobicContact CD2-CZ3 4.01Å; N672-W674 PolarHBondContact O-N 3.32Å; N672-W674 VanDerWaalsContact OD1-CB 3.3Å; N672-W674 WeakPolarHBondContact OD1-CB 3.39Å; N672-W674 PolarHBondContact OD1-N 2.89Å; W674-L681 HydrophobicContact CD2-CD2 4.41Å; W674-L681 HydrophobicContact CG-CD2 4.03Å |
| 675 | L | 85.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.2 | -61.1 | 165.3 | -65.3 | 174.9 | 0 | 0 | 0 | 110.1 | M512 R513 V516 L669 N672 A673 D677 | M512-L675 HydrophobicContact CB-CD2 3.88Å; M512-L675 HydrophobicContact CG-CD2 3.69Å; R513-L675 PolarHBondContact NH1-O 3.25Å; R513-L675 PolarHBondContact NH2-O 3.03Å; V516-L675 HydrophobicContact CB-CD1 4.47Å; V516-L675 HydrophobicContact CG1-CD1 4.4Å; V516-L675 HydrophobicContact CG2-CD1 4.04Å; L669-L675 HydrophobicContact CD1-CD1 3.94Å; L669-L675 HydrophobicContact CG-CD1 4.23Å; L669-L675 WeakPolarHBondContact O-CD1 3.29Å; N672-L675 PolarHBondContact O-N 2.91Å; A673-L675 PolarHBondContact O-N 2.7Å; L675-D677 PolarHBondContact O-N 2.58Å |
| 676 | Q | 79.4 | Confident | 79.2 | Confident | 106 Ų | 106 | 58.4 Ų | 58.4 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70 | -26.8 | -164.6 | -66.3 | -59.7 | -19.8 | 0 | 0 | 116.1 | R670 N672 A673 | R670-Q676 PolarHBondContact O-NE2 3.19Å; N672-Q676 PolarHBondContact O-N 2.94Å; A673-Q676 PolarHBondContact O-N 1.85Å |
| 677 | D | 72.7 | Confident | 78.9 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | trans | -104.9 | 89 | -175.5 | -169.5 | -2.1 | 0 | 0 | 0 | 113.2 | A673 L675 S679 Q680 | A673-D677 PolarHBondContact O-N 3.3Å; L675-D677 PolarHBondContact O-N 2.58Å; D677-S679 PolarHBondContact O-N 3.06Å; D677-S679 WeakPolarHBondContact OD1-CA 3.36Å; D677-S679 VanDerWaalsContact OD1-CB 3.26Å; D677-S679 WeakPolarHBondContact OD1-CB 3.16Å; D677-S679 PolarHBondContact OD1-N 3.14Å; D677-S679 PolarHBondContact OD1-OG 2.94Å; D677-Q680 WeakPolarHBondContact OD2-CG 2.98Å; D677-Q680 PolarHBondContact OD2-NE2 3.4Å | ||
| 678 | D | 67.5 | Low | 78.6 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -14.7 | 172.6 | -107.4 | 55.6 | 0 | 0 | 0 | 113.3 | R510 R513 | R510-D678 IonicContact CZ-OD2 3.32Å; R510-D678 IonicContact NE-OD1 2.68Å; R510-D678 IonicContact NE-OD2 2.78Å; R510-D678 PolarHBondContact NE-OD2 2.86Å; R510-D678 IonicContact NH2-OD2 2.73Å; R510-D678 PolarHBondContact NH2-OD2 3.3Å; R513-D678 IonicContact CZ-OD1 3.16Å; R513-D678 IonicContact NH2-OD1 2.8Å; R513-D678 PolarHBondContact NH2-OD1 3.44Å |
| 679 | S | 59.3 | Low | 78.4 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -17.7 | -173 | 79.7 | 0 | 0 | 0 | 0 | 115.4 | D677 | D677-S679 PolarHBondContact O-N 3.06Å; D677-S679 WeakPolarHBondContact OD1-CA 3.36Å; D677-S679 VanDerWaalsContact OD1-CB 3.26Å; D677-S679 WeakPolarHBondContact OD1-CB 3.16Å; D677-S679 PolarHBondContact OD1-N 3.14Å; D677-S679 PolarHBondContact OD1-OG 2.94Å |
| 680 | Q | 60.3 | Low | 77.9 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -95.8 | -5.7 | 175.7 | -71.8 | -176.6 | 61.3 | 0 | 0 | 113.5 | D677 | D677-Q680 WeakPolarHBondContact OD2-CG 2.98Å; D677-Q680 PolarHBondContact OD2-NE2 3.4Å |
| 681 | L | 71 | Confident | 77.4 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -79.9 | 143 | -174 | -62.4 | -179.5 | 0 | 0 | 0 | 113.3 | T506 W674 S683 | T506-L681 HydrophobicContact CG2-CB 4.5Å; T506-L681 HydrophobicContact CG2-CD1 4.46Å; T506-L681 WeakPolarHBondContact OG1-CB 3.44Å; W674-L681 HydrophobicContact CD2-CD2 4.41Å; W674-L681 HydrophobicContact CG-CD2 4.03Å; L681-S683 PolarHBondContact O-N 2.86Å |
| 682 | S | 71.6 | Confident | 76.8 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | trans | -69.9 | 109.7 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | E505 N642 N684 | E505-S682 WeakPolarHBondContact CB-O 3.16Å; E505-S682 PolarHBondContact N-O 2.72Å; N642-S682 PolarHBondContact O-OG 3.15Å; S682-N684 PolarHBondContact O-N 2.63Å; S682-N684 WeakPolarHBondContact OG-CB 3.28Å; S682-N684 PolarHBondContact OG-N 3.46Å; S682-N684 PolarHBondContact OG-ND2 3.14Å | ||
| 683 | S | 75.8 | Confident | 75.5 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 67% | 0.671 | 30% | 0.3 | S | S | * | . | trans | -75.4 | 1.6 | 167.7 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | L681 | L681-S683 PolarHBondContact O-N 2.86Š| ||
| 684 | N | 79.5 | Confident | 74.3 | Confident | 99 Ų | 99 | 51.6 Ų | 51.6 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -67.5 | 143.3 | 174.5 | -64.2 | -44.4 | 0 | 0 | 0 | 110 | S682 L686 | S682-N684 PolarHBondContact O-N 2.63Å; S682-N684 WeakPolarHBondContact OG-CB 3.28Å; S682-N684 PolarHBondContact OG-N 3.46Å; S682-N684 PolarHBondContact OG-ND2 3.14Å; N684-L686 PolarHBondContact O-N 2.88Å |
| 685 | P | 82.1 | Confident | 72.4 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -65 | 131.7 | 177.8 | 26.1 | -33.3 | 0 | 0 | 0 | 111.2 | N642 | N642-P685 PolarHBondContact ND2-O 3.2Å |
| 686 | L | 85.8 | Confident | 70.2 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 148.2 | 169.2 | -59 | 174.9 | 0 | 0 | 0 | 109.7 | F503 L603 V643 N684 T688 P689 | F503-L686 HydrophobicContact CD1-CD1 3.95Å; F503-L686 HydrophobicContact CE1-CD1 4.09Å; F503-L686 VanDerWaalsContact O-CB 3.31Å; F503-L686 WeakPolarHBondContact O-CB 3.37Å; F503-L686 WeakPolarHBondContact O-CG 3.24Å; F503-L686 PolarHBondContact O-N 3.42Å; L603-L686 HydrophobicContact CD2-CD1 3.68Å; V643-L686 HydrophobicContact CG2-CD2 3.69Å; N684-L686 PolarHBondContact O-N 2.88Å; L686-T688 PolarHBondContact O-N 3.21Å; L686-P689 VanDerWaalsContact O-CD 3.23Å; L686-P689 WeakPolarHBondContact O-CD 3.23Å |
| 687 | M | 81.1 | Confident | 68.5 | Low | 48 Ų | 48 | 57.9 Ų | 57.9 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -76.6 | 3.8 | 177.7 | -60.3 | -175.1 | 73.1 | 0 | 0 | 113.5 | E638 D690 I691 | E638-M687 HydrophobicContact CB-CE 4.27Å; E638-M687 HydrophobicContact CB-SD 3.93Å; E638-M687 VanDerWaalsContact O-SD 3.37Å; M687-D690 PolarHBondContact O-N 2.98Å; M687-I691 HydrophobicContact CB-CD1 3.77Å; M687-I691 HydrophobicContact CB-CG1 4.32Å; M687-I691 WeakPolarHBondContact O-CB 3.18Å; M687-I691 WeakPolarHBondContact O-CD1 3.19Å; M687-I691 VanDerWaalsContact O-CG1 3.26Å; M687-I691 WeakPolarHBondContact O-CG1 3.43Å; M687-I691 PolarHBondContact O-N 3.07Å |
| 688 | T | 78.4 | Confident | 67.2 | Low | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.6 | -45.7 | -178.7 | -55 | 0 | 0 | 0 | 0 | 113.5 | I497 M602 L603 S604 L686 D690 I691 L692 | I497-T688 HydrophobicContact CG2-CG2 3.55Å; M602-T688 WeakPolarHBondContact O-CG2 3.44Å; M602-T688 PolarHBondContact O-OG1 3.09Å; L603-T688 PolarHBondContact O-OG1 3.21Å; S604-T688 PolarHBondContact N-OG1 3.09Å; L686-T688 PolarHBondContact O-N 3.21Å; T688-D690 PolarHBondContact O-N 2.87Å; T688-I691 PolarHBondContact O-N 3.19Å; T688-L692 HydrophobicContact CG2-CD1 3.71Å; T688-L692 HydrophobicContact CG2-CG 4.16Å; T688-L692 WeakPolarHBondContact O-CB 3.29Å; T688-L692 VanDerWaalsContact O-CG 3.25Å; T688-L692 WeakPolarHBondContact O-CG 3.4Å; T688-L692 PolarHBondContact O-N 3.41Å |
| 689 | P | 79.3 | Confident | 66.2 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.5 | -21 | 34.6 | 0 | 0 | 0 | 112.4 | I497 K500 F503 L686 I691 L692 G693 | I497-P689 HydrophobicContact CG2-CG 4.42Å; K500-P689 WeakPolarHBondContact O-CB 3.49Å; K500-P689 WeakPolarHBondContact O-CG 3.44Å; F503-P689 HydrophobicContact CB-CG 3.9Å; L686-P689 VanDerWaalsContact O-CD 3.23Å; L686-P689 WeakPolarHBondContact O-CD 3.23Å; P689-I691 PolarHBondContact O-N 2.65Å; P689-L692 PolarHBondContact O-N 2.96Å; P689-G693 PolarHBondContact O-N 3.23Å |
| 690 | D | 78.2 | Confident | 65.4 | Low | 111 Ų | 111 | 57.5 Ų | 57.5 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | 178.6 | -60.8 | -49.6 | 0 | 0 | 0 | 112.3 | M687 T688 G693 S694 | M687-D690 PolarHBondContact O-N 2.98Å; T688-D690 PolarHBondContact O-N 2.87Å; D690-G693 PolarHBondContact O-N 3.07Å; D690-S694 VanDerWaalsContact O-CB 3.26Å; D690-S694 WeakPolarHBondContact O-CB 3.44Å; D690-S694 PolarHBondContact O-N 3.13Å; D690-S694 PolarHBondContact O-OG 3.48Å |
| 691 | I | 74.4 | Confident | 64.5 | Low | 34 Ų | 34 | 56 Ų | 56 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 178.9 | -69.3 | 167 | 0 | 0 | 0 | 110.8 | S604 Q606 A639 M687 T688 P689 S695 | S604-I691 VanDerWaalsContact O-CD1 3.26Å; S604-I691 WeakPolarHBondContact O-CD1 3.24Å; Q606-I691 HydrophobicContact CG-CG2 4.32Å; A639-I691 HydrophobicContact CB-CD1 3.43Å; A639-I691 VanDerWaalsContact CB-CD1 3.43Å; M687-I691 HydrophobicContact CB-CD1 3.77Å; M687-I691 HydrophobicContact CB-CG1 4.32Å; M687-I691 WeakPolarHBondContact O-CB 3.18Å; M687-I691 WeakPolarHBondContact O-CD1 3.19Å; M687-I691 VanDerWaalsContact O-CG1 3.26Å; M687-I691 WeakPolarHBondContact O-CG1 3.43Å; M687-I691 PolarHBondContact O-N 3.07Å; T688-I691 PolarHBondContact O-N 3.19Å; P689-I691 PolarHBondContact O-N 2.65Å; I691-S695 WeakPolarHBondContact O-CB 3.48Å; I691-S695 PolarHBondContact O-N 3.44Å |
| 692 | L | 70.5 | Confident | 63.1 | Low | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.1 | -29.4 | 173.4 | -66.6 | 176.7 | 0 | 0 | 0 | 112.5 | L494 I497 R498 T688 P689 V699 | L494-L692 HydrophobicContact CB-CD1 4.42Å; I497-L692 HydrophobicContact CB-CD1 4.46Å; I497-L692 HydrophobicContact CG2-CD1 4.29Å; R498-L692 HydrophobicContact CB-CB 3.9Å; R498-L692 HydrophobicContact CB-CD1 4.24Å; R498-L692 VanDerWaalsContact CD-O 3.31Å; R498-L692 WeakPolarHBondContact CD-O 3.36Å; R498-L692 HydrophobicContact CG-CB 3.78Å; T688-L692 HydrophobicContact CG2-CD1 3.71Å; T688-L692 HydrophobicContact CG2-CG 4.16Å; T688-L692 WeakPolarHBondContact O-CB 3.29Å; T688-L692 VanDerWaalsContact O-CG 3.25Å; T688-L692 WeakPolarHBondContact O-CG 3.4Å; T688-L692 PolarHBondContact O-N 3.41Å; P689-L692 PolarHBondContact O-N 2.96Å; L692-V699 HydrophobicContact CD2-CG2 4.17Å |
| 693 | G | 60.5 | Low | 61.6 | Low | 41 Ų | 41 | 56.3 Ų | 56.3 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.6 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | P689 D690 S695 | P689-G693 PolarHBondContact O-N 3.23Å; D690-G693 PolarHBondContact O-N 3.07Å; G693-S695 VanDerWaalsContact C-N 3.32Å; G693-S695 PolarHBondContact O-N 2.9Å |
| 694 | S | 59 | Low | 59.8 | Low | 94 Ų | 94 | 59 Ų | 59 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73.6 | -20.8 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | D690 T696 | D690-S694 VanDerWaalsContact O-CB 3.26Å; D690-S694 WeakPolarHBondContact O-CB 3.44Å; D690-S694 PolarHBondContact O-N 3.13Å; D690-S694 PolarHBondContact O-OG 3.48Å; S694-T696 PolarHBondContact O-N 3.25Å |
| 695 | S | 49.6 | Very low | 57.7 | Low | 35 Ų | 35 | 56.7 Ų | 56.7 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | trans | -85.8 | 86.4 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | I691 G693 A697 S698 | I691-S695 WeakPolarHBondContact O-CB 3.48Å; I691-S695 PolarHBondContact O-N 3.44Å; G693-S695 VanDerWaalsContact C-N 3.32Å; G693-S695 PolarHBondContact O-N 2.9Å; S695-A697 PolarHBondContact O-N 3.19Å; S695-S698 VanDerWaalsContact OG-CB 3.23Å; S695-S698 WeakPolarHBondContact OG-CB 3.43Å; S695-S698 PolarHBondContact OG-N 2.85Å; S695-S698 PolarHBondContact OG-OG 3.36Å | ||
| 696 | T | 39 | Very low | 55.5 | Low | 144 Ų | 144 | 54.4 Ų | 54.4 | 88% | 0.883 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -63.4 | -2.8 | -172.7 | 49.3 | 0 | 0 | 0 | 0 | 116.6 | S694 | S694-T696 PolarHBondContact O-N 3.25Š|
| 697 | A | 43.7 | Very low | 53 | Low | 65 Ų | 65 | 59 Ų | 59 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -161.3 | -10 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116 | S695 T701 | S695-A697 PolarHBondContact O-N 3.19Å; A697-T701 WeakPolarHBondContact O-CB 3.44Å; A697-T701 PolarHBondContact O-OG1 3.41Å |
| 698 | S | 44.8 | Very low | 50.7 | Low | 56 Ų | 56 | 61.8 Ų | 61.8 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -84.7 | -35.2 | -146.1 | 93.9 | 0 | 0 | 0 | 0 | 116.2 | S695 T701 C702 | S695-S698 VanDerWaalsContact OG-CB 3.23Å; S695-S698 WeakPolarHBondContact OG-CB 3.43Å; S695-S698 PolarHBondContact OG-N 2.85Å; S695-S698 PolarHBondContact OG-OG 3.36Å; S698-T701 PolarHBondContact O-N 2.85Å; S698-C702 VanDerWaalsContact O-CB 3.23Å; S698-C702 WeakPolarHBondContact O-CB 3.3Å; S698-C702 PolarHBondContact O-N 2.82Å |
| 699 | V | 45.8 | Very low | 48.5 | Very low | 26 Ų | 26 | 63.3 Ų | 63.3 | 16% | 0.158 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.7 | -60.7 | -174.5 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | V607 L692 T701 C702 V703 | V607-V699 HydrophobicContact CG2-CG1 4.27Å; L692-V699 HydrophobicContact CD2-CG2 4.17Å; V699-T701 PolarHBondContact O-N 3.42Å; V699-T701 VanDerWaalsContact O-N 3.08Å; V699-C702 PolarHBondContact O-N 2.78Å; V699-C702 VanDerWaalsContact O-N 3.13Å; V699-V703 HydrophobicContact CG1-CG2 4.49Å; V699-V703 WeakPolarHBondContact O-CB 3.35Å; V699-V703 VanDerWaalsContact O-CG2 3.24Å; V699-V703 WeakPolarHBondContact O-CG2 2.99Å; V699-V703 PolarHBondContact O-N 3.41Å |
| 700 | H | 43.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 64.6 Ų | 64.6 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57 | -30.6 | 180 | -134.2 | -29.2 | 0 | 0 | 0 | 113.2 | K704 | H700-K704 WeakPolarHBondContact O-CB 3.13Å; H700-K704 PolarHBondContact O-N 2.8Å |
| 701 | T | 41.8 | Very low | 44.1 | Very low | 85 Ų | 85 | 63 Ų | 63 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -80.3 | -39.8 | 179 | -55 | 0 | 0 | 0 | 0 | 112.6 | A697 S698 V699 K704 A705 | A697-T701 WeakPolarHBondContact O-CB 3.44Å; A697-T701 PolarHBondContact O-OG1 3.41Å; S698-T701 PolarHBondContact O-N 2.85Å; V699-T701 PolarHBondContact O-N 3.42Å; V699-T701 VanDerWaalsContact O-N 3.08Å; T701-K704 CarbonylContact O-C 3.54Å; T701-K704 WeakPolarHBondContact O-CB 3.34Å; T701-K704 PolarHBondContact O-N 2.9Å; T701-A705 WeakPolarHBondContact O-CB 3.49Å; T701-A705 PolarHBondContact O-N 2.78Å |
| 702 | C | 41.2 | Very low | 42.1 | Very low | 27 Ų | 27 | 64 Ų | 64 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.6 | -34.9 | -177.9 | -155.9 | 0 | 0 | 0 | 0 | 112 | S698 V699 K704 A705 T706 | S698-C702 VanDerWaalsContact O-CB 3.23Å; S698-C702 WeakPolarHBondContact O-CB 3.3Å; S698-C702 PolarHBondContact O-N 2.82Å; V699-C702 PolarHBondContact O-N 2.78Å; V699-C702 VanDerWaalsContact O-N 3.13Å; C702-K704 VanDerWaalsContact C-N 3.29Å; C702-K704 PolarHBondContact O-N 3.46Å; C702-A705 PolarHBondContact O-N 2.73Å; C702-T706 WeakPolarHBondContact O-CB 3.2Å; C702-T706 PolarHBondContact O-N 2.84Å; C702-T706 PolarHBondContact O-OG1 3.04Å |
| 703 | V | 40.9 | Very low | 40 | Very low | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -49.3 | -52 | 163.5 | 164.9 | 0 | 0 | 0 | 0 | 110.5 | V607 V699 A705 T706 F707 | V607-V703 HydrophobicContact CG2-CG2 4.21Å; V699-V703 HydrophobicContact CG1-CG2 4.49Å; V699-V703 WeakPolarHBondContact O-CB 3.35Å; V699-V703 VanDerWaalsContact O-CG2 3.24Å; V699-V703 WeakPolarHBondContact O-CG2 2.99Å; V699-V703 PolarHBondContact O-N 3.41Å; V703-A705 PolarHBondContact O-N 2.63Å; V703-T706 PolarHBondContact O-N 3.46Å; V703-F707 PolarHBondContact O-N 3Å |
| 704 | K | 37.5 | Very low | 38.4 | Very low | 151 Ų | 151 | 69.4 Ų | 69.4 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.9 | -29.8 | -179 | -159.8 | 169.6 | -170.9 | 167.6 | 0 | 113.3 | H700 T701 C702 N708 | H700-K704 WeakPolarHBondContact O-CB 3.13Å; H700-K704 PolarHBondContact O-N 2.8Å; T701-K704 CarbonylContact O-C 3.54Å; T701-K704 WeakPolarHBondContact O-CB 3.34Å; T701-K704 PolarHBondContact O-N 2.9Å; C702-K704 VanDerWaalsContact C-N 3.29Å; C702-K704 PolarHBondContact O-N 3.46Å; K704-N708 PolarHBondContact O-ND2 2.87Å |
| 705 | A | 35.8 | Very low | 37.1 | Very low | 51 Ų | 51 | 72.4 Ų | 72.4 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.7 | -46.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T701 C702 V703 F707 N708 A709 | T701-A705 WeakPolarHBondContact O-CB 3.49Å; T701-A705 PolarHBondContact O-N 2.78Å; C702-A705 PolarHBondContact O-N 2.73Å; V703-A705 PolarHBondContact O-N 2.63Å; A705-F707 VanDerWaalsContact C-N 3.31Å; A705-F707 PolarHBondContact O-N 3.42Å; A705-N708 WeakPolarHBondContact O-CB 3.23Å; A705-N708 PolarHBondContact O-N 2.91Å; A705-A709 PolarHBondContact O-N 3.29Å |
| 706 | T | 34.7 | Very low | 36.1 | Very low | 13 Ų | 13 | 76.1 Ų | 76.1 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -53.3 | -47.3 | 176.5 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | L573 I624 C702 V703 N708 A709 F710 | L573-T706 HydrophobicContact CD2-CG2 4.47Å; I624-T706 HydrophobicContact CB-CG2 4.45Å; I624-T706 HydrophobicContact CD1-CG2 3.65Å; I624-T706 WeakPolarHBondContact CD1-OG1 3.28Å; I624-T706 HydrophobicContact CG2-CG2 3.89Å; C702-T706 WeakPolarHBondContact O-CB 3.2Å; C702-T706 PolarHBondContact O-N 2.84Å; C702-T706 PolarHBondContact O-OG1 3.04Å; V703-T706 PolarHBondContact O-N 3.46Å; T706-N708 VanDerWaalsContact C-N 3.28Å; T706-N708 PolarHBondContact O-N 3.07Å; T706-A709 PolarHBondContact O-N 3.12Å; T706-F710 PolarHBondContact O-N 3.3Å |
| 707 | F | 33.2 | Very low | 35.4 | Very low | 102 Ų | 102 | 72.6 Ų | 72.6 | 45% | 0.447 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.4 | -35.2 | 177.3 | -175.4 | -92.9 | 0 | 0 | 0 | 113.6 | V703 A705 N711 | V703-F707 PolarHBondContact O-N 3Å; A705-F707 VanDerWaalsContact C-N 3.31Å; A705-F707 PolarHBondContact O-N 3.42Å; F707-N711 PolarHBondContact O-ND2 3.43Å; F707-N711 VanDerWaalsContact O-ND2 3.1Å |
| 708 | N | 34.1 | Very low | 34.4 | Very low | 105 Ų | 105 | 78.7 Ų | 78.7 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -74.6 | -41.5 | 179.5 | -76.4 | -52.7 | 0 | 0 | 0 | 112.5 | K704 A705 T706 F710 N711 | K704-N708 PolarHBondContact O-ND2 2.87Å; A705-N708 WeakPolarHBondContact O-CB 3.23Å; A705-N708 PolarHBondContact O-N 2.91Å; T706-N708 VanDerWaalsContact C-N 3.28Å; T706-N708 PolarHBondContact O-N 3.07Å; N708-F710 PolarHBondContact O-N 3.09Å; N708-N711 PolarHBondContact O-N 3.12Å |
| 709 | A | 31.2 | Very low | 33.5 | Very low | 33 Ų | 33 | 85.9 Ų | 85.9 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.8 | -29 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A621 A705 T706 N711 K712 | A621-A709 HydrophobicContact CB-CB 3.48Å; A621-A709 VanDerWaalsContact CB-CB 3.48Å; A705-A709 PolarHBondContact O-N 3.29Å; T706-A709 PolarHBondContact O-N 3.12Å; A709-N711 PolarHBondContact O-N 3.29Å; A709-K712 WeakPolarHBondContact O-CB 3.39Å; A709-K712 PolarHBondContact O-N 3.1Å |
| 710 | F | 33.2 | Very low | 32.3 | Very low | 37 Ų | 37 | 91.1 Ų | 91.1 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 177.2 | -179.6 | -81.6 | 0 | 0 | 0 | 111.9 | L573 L581 A621 M625 T706 N708 K712 K714 | L573-F710 HydrophobicContact CD1-CD2 3.72Å; L573-F710 HydrophobicContact CD1-CE2 3.65Å; L573-F710 HydrophobicContact CD1-CG 4.32Å; L573-F710 HydrophobicContact CD1-CZ 4.22Å; L573-F710 HydrophobicContact CD2-CB 3.62Å; L573-F710 HydrophobicContact CD2-CD2 3.37Å; L573-F710 HydrophobicContact CD2-CE2 4.19Å; L573-F710 HydrophobicContact CD2-CG 3.68Å; L573-F710 HydrophobicContact CG-CD2 4.2Å; L581-F710 HydrophobicContact CD2-CE2 3.94Å; L581-F710 HydrophobicContact CD2-CZ 4Å; A621-F710 HydrophobicContact CB-CB 3.96Å; M625-F710 HydrophobicContact CE-CD2 3.72Å; M625-F710 HydrophobicContact CE-CE2 4.15Å; M625-F710 HydrophobicContact CE-CG 4.37Å; M625-F710 HydrophobicContact CG-CD2 3.41Å; M625-F710 VanDerWaalsContact CG-CD2 3.41Å; M625-F710 HydrophobicContact CG-CE2 3.46Å; M625-F710 VanDerWaalsContact CG-CE2 3.46Å; M625-F710 HydrophobicContact SD-CD2 3.47Å; M625-F710 WeakPolarHBondContact SD-CD2 3.43Å; M625-F710 HydrophobicContact SD-CE2 3.29Å; M625-F710 WeakPolarHBondContact SD-CE2 3.37Å; M625-F710 HydrophobicContact SD-CZ 4.24Å; T706-F710 PolarHBondContact O-N 3.3Å; N708-F710 PolarHBondContact O-N 3.09Å; F710-K712 PolarHBondContact O-N 3.26Å; F710-K712 VanDerWaalsContact O-N 3.13Å; F710-K714 HydrophobicContact CE1-CD 4.27Å |
| 711 | N | 31.9 | Very low | 31.3 | Very low | 79 Ų | 79 | 93.1 Ų | 93.1 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -4.6 | 175.8 | -73.3 | -56.7 | 0 | 0 | 0 | 113.5 | F707 N708 A709 R715 | F707-N711 PolarHBondContact O-ND2 3.43Å; F707-N711 VanDerWaalsContact O-ND2 3.1Å; N708-N711 PolarHBondContact O-N 3.12Å; A709-N711 PolarHBondContact O-N 3.29Å; N711-R715 VanDerWaalsContact O-CZ 3.29Å; N711-R715 PolarHBondContact O-NE 3.46Å; N711-R715 PolarHBondContact O-NH2 3.14Å |
| 712 | K | 31.7 | Very low | 30.5 | Very low | 55 Ų | 55 | 94.6 Ų | 94.6 | 24% | 0.239 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -87.3 | -64.8 | 170.3 | -158.1 | -153.5 | -173.3 | -116.8 | 0 | 111.6 | E85 H86 A709 F710 K714 R715 E716 | E85-K712 WeakPolarHBondContact OE1-CE 3.47Å; E85-K712 IonicContact OE1-NZ 3.57Å; E85-K712 PolarHBondContact OE1-NZ 2.73Å; H86-K712 WeakPolarHBondContact NE2-CE 3.35Å; A709-K712 WeakPolarHBondContact O-CB 3.39Å; A709-K712 PolarHBondContact O-N 3.1Å; F710-K712 PolarHBondContact O-N 3.26Å; F710-K712 VanDerWaalsContact O-N 3.13Å; K712-K714 PolarHBondContact O-N 2.77Å; K712-R715 WeakPolarHBondContact O-CB 3.32Å; K712-R715 VanDerWaalsContact O-CG 3.27Å; K712-R715 WeakPolarHBondContact O-CG 3.12Å; K712-R715 PolarHBondContact O-N 3.35Å; K712-E716 WeakPolarHBondContact CD-OE1 3.46Å; K712-E716 VanDerWaalsContact CE-OE1 3.24Å; K712-E716 WeakPolarHBondContact CE-OE1 3.24Å; K712-E716 WeakPolarHBondContact CG-OE1 3.48Å; K712-E716 IonicContact NZ-OE1 2.75Å; K712-E716 PolarHBondContact NZ-OE1 2.53Å; K712-E716 IonicContact NZ-OE2 2.88Å; K712-E716 PolarHBondContact NZ-OE2 2.97Å |
| 713 | C | 27.1 | Very low | 29.9 | Very low | 42 Ų | 42 | 99.3 Ų | 99.3 | 28% | 0.284 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -49.1 | -34.1 | -173.3 | -173.9 | 0 | 0 | 0 | 0 | 114.3 | E622 M625 R715 E716 | E622-C713 VanDerWaalsContact CD-SG 3.54Å; E622-C713 HydrophobicContact CG-CB 3.86Å; E622-C713 WeakPolarHBondContact OE1-CB 3.49Å; E622-C713 PolarHBondContact OE1-SG 3.46Å; M625-C713 HydrophobicContact CE-CB 3.47Å; M625-C713 VanDerWaalsContact CE-CB 3.47Å; C713-R715 PolarHBondContact O-N 3.36Å; C713-E716 PolarHBondContact O-N 3.36Å |
| 714 | K | 27.9 | Very low | 29.2 | Very low | 125 Ų | 125 | 105 Ų | 105 | 54% | 0.543 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 5 | 178.4 | -149.5 | 178.8 | -178.3 | 174.6 | 0 | 115.3 | Y583 F710 K712 | Y583-K714 WeakPolarHBondContact OH-CE 3.14Å; Y583-K714 PolarHBondContact OH-NZ 2.89Å; F710-K714 HydrophobicContact CE1-CD 4.27Å; K712-K714 PolarHBondContact O-N 2.77Å |
| 715 | R | 30.4 | Very low | 28.8 | Very low | 158 Ų | 158 | 107.2 Ų | 107.2 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -16 | -174.5 | -57.8 | 177.3 | -162.7 | -157.7 | 2.6 | 115.2 | N711 K712 C713 G717 | N711-R715 VanDerWaalsContact O-CZ 3.29Å; N711-R715 PolarHBondContact O-NE 3.46Å; N711-R715 PolarHBondContact O-NH2 3.14Å; K712-R715 WeakPolarHBondContact O-CB 3.32Å; K712-R715 VanDerWaalsContact O-CG 3.27Å; K712-R715 WeakPolarHBondContact O-CG 3.12Å; K712-R715 PolarHBondContact O-N 3.35Å; C713-R715 PolarHBondContact O-N 3.36Å; R715-G717 PolarHBondContact O-N 3.32Å |
| 716 | E | 28.2 | Very low | 28.6 | Very low | 113 Ų | 113 | 108.9 Ų | 108.9 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | trans | -105.7 | 74.3 | -154.7 | -65.5 | 177.6 | -141.7 | 0 | 0 | 113.4 | K712 C713 | K712-E716 WeakPolarHBondContact CD-OE1 3.46Å; K712-E716 VanDerWaalsContact CE-OE1 3.24Å; K712-E716 WeakPolarHBondContact CE-OE1 3.24Å; K712-E716 WeakPolarHBondContact CG-OE1 3.48Å; K712-E716 IonicContact NZ-OE1 2.75Å; K712-E716 PolarHBondContact NZ-OE1 2.53Å; K712-E716 IonicContact NZ-OE2 2.88Å; K712-E716 PolarHBondContact NZ-OE2 2.97Å; C713-E716 PolarHBondContact O-N 3.36Å | ||
| 717 | G | 24.3 | Very low | 28.4 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | -124.5 | 134.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | R715 | R715-G717 PolarHBondContact O-N 3.32Š| ||
| 718 | F | 22.7 | Very low | 28.3 | Very low | 194 Ų | 194 | 115.9 Ų | 115.9 | 85% | 0.851 | 60% | 0.604 | S | S | * | * | trans | -58.3 | 138.1 | -177.5 | -87.4 | -129.1 | 0 | 0 | 0 | 113.1 | ||||
| 719 | R | 25.9 | Very low | 28.5 | Very low | 207 Ų | 207 | 115.5 Ų | 115.5 | 78% | 0.781 | 62% | 0.615 | S | S | * | * | 64.8 | 136.1 | 72.2 | -76.4 | -169.9 | 174.6 | -163.6 | 0.5 | 112.8 | |||||
| 720 | L | 21.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 71% | 0.707 | 64% | 0.64 | S | S | * | * | cis | -165.5 | -178.9 | 43.6 | -127.7 | 151.5 | 0 | 0 | 0 | 114.3 | ||||
| 721 | Q | 22.2 | Very low | 28.9 | Very low | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | trans | 78.1 | 173.1 | 162.3 | -60.9 | -153.8 | 5.5 | 0 | 0 | 123.1 | ||||
| 722 | T | 25.1 | Very low | 29.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | -154.9 | 158.8 | -121.8 | -16.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 723 | V | 27.1 | Very low | 29.8 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | 57.4 | 160 | 163 | -90.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 724 | D | 26.2 | Very low | 30.1 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | cis | -150.1 | 178.3 | 13 | -143.2 | -36.3 | 0 | 0 | 0 | 113.7 | ||||
| 725 | K | 29.6 | Very low | 30.6 | Very low | 198 Ų | 198 | 152 Ų | 152 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | 77.4 | 100.3 | 171.3 | -54 | 163 | -172.4 | 168.5 | 0 | 116.6 | ||||
| 726 | A | 30.9 | Very low | 30.9 | Very low | 85 Ų | 85 | 154.2 Ų | 154.2 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | -132.3 | 141.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L728 | A726-L728 PolarHBondContact O-N 2.68Š| ||
| 727 | P | 30.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -87.1 | 9.5 | -157.3 | -12.5 | 31.9 | 0 | 0 | 0 | 116.9 | A729 | P727-A729 PolarHBondContact O-N 3.17Š|
| 728 | L | 32.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -70.7 | -27 | -170.4 | -85.9 | 158.2 | 0 | 0 | 0 | 114.4 | A726 K730 R731 | A726-L728 PolarHBondContact O-N 2.68Å; L728-K730 PolarHBondContact O-N 2.88Å; L728-K730 VanDerWaalsContact O-N 3.09Å; L728-R731 PolarHBondContact O-N 2.97Å |
| 729 | A | 36.5 | Very low | 32 | Very low | 97 Ų | 97 | 153.5 Ų | 153.5 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -57.7 | -25.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P727 | P727-A729 PolarHBondContact O-N 3.17Š|
| 730 | K | 34.9 | Very low | 32 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -77.1 | -17.1 | -178.8 | -73.3 | -173.5 | 173.7 | -177 | 0 | 114.7 | L728 | L728-K730 PolarHBondContact O-N 2.88Å; L728-K730 VanDerWaalsContact O-N 3.09Å |
| 731 | R | 39.1 | Very low | 32.4 | Very low | 215 Ų | 215 | 148.1 Ų | 148.1 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -91.6 | -17.1 | -170.7 | -104.5 | -179.3 | 177.8 | 164.8 | 1 | 116.6 | L728 K733 | L728-R731 PolarHBondContact O-N 2.97Å; R731-K733 PolarHBondContact O-N 2.97Å |
| 732 | R | 40.3 | Very low | 32.6 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -69.8 | -7.4 | 174.1 | -78.8 | -173.9 | 172.4 | -176.5 | -4.2 | 114 | ||
| 733 | K | 41.3 | Very low | 32.7 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -100.6 | 3.7 | -176.6 | -139.2 | 177 | -174.2 | -179.8 | 0 | 115.7 | R731 | R731-K733 PolarHBondContact O-N 2.97Š|
| 734 | M | 33.5 | Very low | 32.7 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -133.7 | 30.2 | -172.4 | -79.1 | -176.3 | 154 | 0 | 0 | 115 | ||
| 735 | K | 39.4 | Very low | 32.6 | Very low | 209 Ų | 209 | 152.9 Ų | 152.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -129.4 | 31.7 | 164.4 | -97.4 | -155.6 | 171.3 | -161.3 | 0 | 113.6 | ||
| 736 | K | 36.8 | Very low | 32.5 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -119.4 | 16.7 | 161.8 | -94.4 | -167.8 | 174.2 | -175.6 | 0 | 112.7 | ||
| 737 | T | 33.1 | Very low | 32.3 | Very low | 95 Ų | 95 | 150.9 Ų | 150.9 | 58% | 0.583 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -143.6 | 70.4 | -173.4 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 738 | S | 31.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -170 | 49.5 | 163.4 | -80.6 | 0 | 0 | 0 | 0 | 112 | ||
| 739 | T | 32.1 | Very low | 31.9 | Very low | 148 Ų | 148 | 152.8 Ų | 152.8 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -152.4 | 44.8 | 170.1 | 11.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 740 | S | 27.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 153.1 Ų | 153.1 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -160.8 | 76.3 | -175.3 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 741 | T | 28.8 | Very low | 31 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -173.7 | 145.4 | 157.3 | 30.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 742 | E | 27.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | cis | -155.3 | 131.7 | 2.3 | -139.6 | 175.2 | -92.7 | 0 | 0 | 110.4 | ||||
| 743 | T | 26.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -141.2 | 141.1 | 149.2 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 744 | R | 27.8 | Very low | 29 | Very low | 221 Ų | 221 | 140.7 Ų | 140.7 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 139.8 | -162 | -61.9 | 168.1 | -179.9 | 169.1 | -3.5 | 112.2 | ||
| 745 | S | 24.4 | Very low | 28.7 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93 | 116.6 | 156.5 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 746 | S | 26.3 | Very low | 28 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 138.3 | 165.7 | 50.7 | 0 | 0 | 0 | 0 | 110 | ||
| 747 | S | 27.1 | Very low | 27.6 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 145.4 | 178 | 44.5 | 0 | 0 | 0 | 0 | 113 | ||
| 748 | S | 27.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -149.1 | 146.2 | 162.7 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 749 | E | 26.6 | Very low | 27.3 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -86.8 | 178.8 | -172.1 | -63.9 | 170.7 | 116.9 | 0 | 0 | 113.4 | ||||
| 750 | S | 27 | Very low | 27.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -25.3 | 142.4 | 172 | 55.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 751 | T | 26.5 | Very low | 27.2 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | -160 | -179.5 | 120.7 | 7.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 752 | H | 26.3 | Very low | 27.2 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -92.6 | 172.3 | -158.7 | -65.3 | -92 | 0 | 0 | 0 | 116.2 | ||||
| 753 | S | 26.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 83.9 | 111 | 134.1 | 54.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 754 | S | 25.4 | Very low | 27.4 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | 77.1 | 134.3 | 122.7 | 65.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 755 | S | 26.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 67 | 144.7 | 146.4 | 50 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 756 | S | 26.1 | Very low | 27.7 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | cis | -166.9 | 168.7 | -12.4 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 757 | S | 27.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | 64.5 | 142.6 | 153.6 | 40.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 758 | S | 29 | Very low | 27.9 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | cis | -171.2 | 152.9 | -7.2 | 41.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 759 | Q | 29.5 | Very low | 27.9 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | 69 | 149 | 153.2 | -75.7 | 162.5 | -7.2 | 0 | 0 | 116.8 | ||||
| 760 | S | 28.7 | Very low | 28.8 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | cis | -156.6 | 132.8 | -1.3 | 37.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 761 | Q | 28.7 | Very low | 28.9 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | trans | 62.7 | 144 | 130.3 | -58.6 | -174.4 | -77.7 | 0 | 0 | 120.1 | ||||
| 762 | E | 29.1 | Very low | 30 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 55% | 0.551 | 72% | 0.717 | S | S | * | * | cis | -166.1 | 154.4 | -6.3 | -117.8 | 178.8 | -175.8 | 0 | 0 | 113.2 | ||||
| 763 | K | 30 | Very low | 31.3 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | trans | 66.7 | 150.8 | 142.2 | -74.4 | 171.5 | -173 | 144.3 | 0 | 119.7 | ||||
| 764 | T | 28.3 | Very low | 32.4 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | cis | -157.1 | 137.7 | 0.4 | 10.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 765 | L | 28.8 | Very low | 32.6 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | 55.4 | 161 | 139 | -53.3 | 171.6 | 0 | 0 | 0 | 120.9 | ||||
| 766 | T | 29.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 64% | 0.638 | 72% | 0.716 | S | S | * | * | cis | -165.5 | 178.9 | -39.2 | 36.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 767 | E | 30.8 | Very low | 32.8 | Very low | 176 Ų | 176 | 124.5 Ų | 124.5 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | cis | -160.3 | 175.3 | -5.5 | -114.8 | 148.4 | 142.9 | 0 | 0 | 105.9 | ||||
| 768 | G | 26.5 | Very low | 34.3 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | cis | -176.6 | 171.9 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 769 | E | 27.6 | Very low | 34.3 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -87.7 | -177.6 | 179.5 | -80.7 | -160.3 | 123.4 | 0 | 0 | 112.5 | ||||
| 770 | P | 45.3 | Very low | 34.4 | Very low | 122 Ų | 122 | 123 Ų | 123 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | cis | -145.9 | -179.5 | 17.3 | 43.8 | -22 | 0 | 0 | 0 | 120.8 | ||||
| 771 | N | 29.4 | Very low | 34.5 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | -64.7 | -175.4 | 168.8 | -102.6 | -48.6 | 0 | 0 | 0 | 116 | ||||
| 772 | P | 50.1 | Low | 34.5 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | cis | -133.5 | -113.1 | -8 | 26.5 | 2.4 | 0 | 0 | 0 | 116.9 | ||||
| 773 | P | 53.2 | Low | 35.8 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -131.7 | -146.4 | -135.4 | 46.1 | -22.1 | 0 | 0 | 0 | 113.6 | ||||
| 774 | P | 50.9 | Low | 35.6 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -136.6 | 179.1 | -15.4 | 39.1 | -18.7 | 0 | 0 | 0 | 117.5 | ||||
| 775 | S | 28.3 | Very low | 35.8 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | 50.6 | 124 | 145.5 | 62.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 776 | N | 28.6 | Very low | 35.8 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | -179.7 | 168.1 | 114.1 | -98.9 | -23.4 | 0 | 0 | 0 | 115.8 | |||||
| 777 | S | 29.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -139 | -169.8 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 778 | P | 57.3 | Low | 35.8 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -129.6 | 174.7 | -36.9 | 37.3 | -21.3 | 0 | 0 | 0 | 114.1 | ||||
| 779 | A | 30.6 | Very low | 36 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -170.1 | 139.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 780 | V | 31.7 | Very low | 36 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | 92.4 | 105.9 | 29.4 | 178.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 781 | K | 29.1 | Very low | 35.2 | Very low | 203 Ų | 203 | 128 Ų | 128 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -171.9 | 156.6 | 134.9 | -108 | 177.2 | -171.7 | -175.2 | 0 | 115.4 | ||||
| 782 | M | 30.1 | Very low | 35.2 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -130.7 | -168.1 | 171.4 | -82.4 | -89.2 | -138.7 | 0 | 0 | 106.3 | ||||
| 783 | P | 55.1 | Low | 34.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -137.8 | -170.6 | -2.6 | 42.8 | -23.7 | 0 | 0 | 0 | 116 | ||||
| 784 | G | 26.6 | Very low | 33 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 164 | 113.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 785 | A | 32.3 | Very low | 31.9 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | 68.7 | 134.4 | 73.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 786 | E | 29.4 | Very low | 31.9 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | cis | -150.5 | -167.6 | 19.1 | -149.1 | 155.4 | -122.6 | 0 | 0 | 112.7 | ||||
| 787 | E | 30.6 | Very low | 31.9 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -99.7 | 164 | -164.4 | -52.6 | 176 | 126.2 | 0 | 0 | 116.1 | ||||
| 788 | T | 30.3 | Very low | 32 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | 178.5 | 163.2 | 117.7 | 27.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 789 | D | 30 | Very low | 30.5 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -75.3 | 178.2 | -177.6 | -142.2 | -0.2 | 0 | 0 | 0 | 112.9 | ||||
| 790 | C | 28.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | cis | -163.8 | 176.1 | 8.3 | -158.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 791 | G | 27.3 | Very low | 30.2 | Very low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 132.2 | 66.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 792 | D | 30.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 57.3 | 137.6 | 130.7 | -122.7 | 8.2 | 0 | 0 | 0 | 126.6 | ||||
| 793 | Q | 28.1 | Very low | 30.3 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 60.9 | 139.5 | 152.3 | -68 | 174.8 | 58.2 | 0 | 0 | 120.7 | ||||
| 794 | N | 28.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | cis | -160.7 | 166.6 | 30.2 | -135 | -39 | 0 | 0 | 0 | 115.5 | ||||
| 795 | A | 29.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 145 Ų | 145 | 60% | 0.595 | 80% | 0.804 | S | S | * | * | trans | 22 | 124.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 796 | L | 28.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | 70.2 | 140.9 | 67.7 | -68.3 | 166 | 0 | 0 | 0 | 114.7 | |||||
| 797 | S | 28.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -157 | 166.1 | -3.3 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 798 | A | 29.8 | Very low | 29.6 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 165.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 799 | F | 26.6 | Very low | 29.5 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -143.3 | 138.6 | 147.8 | -105.9 | -76.9 | 0 | 0 | 0 | 112.3 | ||||
| 800 | R | 29.8 | Very low | 29.5 | Very low | 232 Ų | 232 | 142.6 Ų | 142.6 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -100.7 | 159.3 | 160.9 | -68.1 | 178.5 | 175.8 | 174.4 | -2 | 108.5 | ||||
| 801 | F | 25.8 | Very low | 29.6 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -144.8 | 166.8 | 136 | -113.1 | -78.5 | 0 | 0 | 0 | 110.5 | ||||
| 802 | S | 28.3 | Very low | 29.7 | Very low | 83 Ų | 83 | 150 Ų | 150 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | trans | -132.5 | 154.8 | -168.4 | -157.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 803 | E | 33.7 | Very low | 29.7 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | 53.2 | 133.4 | 154 | -72.2 | 151.4 | 124.2 | 0 | 0 | 121.6 | ||||
| 804 | G | 35.2 | Very low | 29.8 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | 121.4 | 85 | 115.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 805 | Q | 34 | Very low | 29.9 | Very low | 277 Ų | 277 | 152.3 Ų | 152.3 | 100% | 1.294 | 82% | 0.819 | S | S | * | * | -167.7 | 0 | 106.1 | -101.4 | 179.1 | 7.2 | 0 | 0 | 111.7 |
Retrieved 805 of 805 residues in 335.4 ms
(Link to these results)